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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/gui.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # gui.py # Purpose: control a continuously running LAMMPS simulation via a Tkinter GUI # Syntax: gui.py in.lammps Nfreq # in.lammps = LAMMPS input script # Nfreq = query GUI every this many steps # IMPORTANT: this script cannot yet be run in parallel via Pypar, # because I can't seem to do a MPI-style broadcast in Pypar import sys,time # methods called by GUI def go(): global runflag runflag = 1 def stop(): global runflag runflag = 0 def settemp(value): global temptarget temptarget = slider.get() def quit(): global breakflag breakflag = 1 # parse command line argv = sys.argv if len(argv) != 3: print "Syntax: gui.py in.lammps Nfreq" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it lmp.file(infile) lmp.command("thermo %d" % nfreq) # display GUI with go/stop/quit buttons and slider for temperature # just proc 0 handles GUI breakflag = 0 runflag = 0 temptarget = 1.0 if me == 0: from Tkinter import * tkroot = Tk() tkroot.withdraw() root = Toplevel(tkroot) root.title("LAMMPS GUI") frame = Frame(root) Button(frame,text="Go",command=go).pack(side=LEFT) Button(frame,text="Stop",command=stop).pack(side=LEFT) slider = Scale(frame,from_=0.0,to=5.0,resolution=0.1, orient=HORIZONTAL,label="Temperature") slider.bind('<ButtonRelease-1>',settemp) slider.set(temptarget) slider.pack(side=LEFT) Button(frame,text="Quit",command=quit).pack(side=RIGHT) frame.pack() tkroot.update() # endless loop, checking status of GUI settings every Nfreq steps # run with pre yes/no and post yes/no depending on go/stop status # re-invoke fix langevin with new seed when temperature slider changes # after re-invoke of fix langevin, run with pre yes running = 0 temp = temptarget seed = 12345 lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed)) while 1: if me == 0: tkroot.update() if temp != temptarget: temp = temptarget seed += me+1 lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed)) running = 0 if runflag and running: lmp.command("run %d pre no post no" % nfreq) elif runflag and not running: lmp.command("run %d pre yes post no" % nfreq) elif not runflag and running: lmp.command("run %d pre no post yes" % nfreq) if breakflag: break if runflag: running = 1 else: running = 0 time.sleep(0.01) # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/viz_atomeye.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # viz_atomeye.py # Purpose: viz running LAMMPS simulation via AtomEye # Syntax: viz_atomeye.py in.lammps Nfreq Nsteps # in.lammps = LAMMPS input script # Nfreq = dump and viz shapshot every this many steps # Nsteps = run for this many steps import sys,os # set this to point to AtomEye version 3 executable # first line if want AtomEye output to screen, 2nd line to file #ATOMEYE3 = "/home/sjplimp/tools/atomeye3/A3.i686-20060530" ATOMEYE3 = "/home/sjplimp/tools/atomeye3/A3.i686-20060530 > atomeye.out" # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: viz_atomeye.py in.lammps Nfreq Nsteps" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) nsteps = int(sys.argv[3]) me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it # dump a file in extended CFG format for AtomEye lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all cfg %d tmp.cfg.* id type xs ys zs" % nfreq) # initial 0-step run to generate dump file and image lmp.command("run 0 pre yes post no") ntimestep = 0 # wrapper on GL window via Pizza.py gl tool # just proc 0 handles reading of dump file and viz if me == 0: a = os.popen(ATOMEYE3,'w') a.write("load_config tmp.cfg.0\n") a.flush() # run nfreq steps at a time w/out pre/post, read dump snapshot, display it while ntimestep < nsteps: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: a.write("load_config tmp.cfg.%d\n" % ntimestep) a.flush() lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/viz_vmd.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # viz_vmd.py # Purpose: viz running LAMMPS simulation via VMD # Syntax: viz_vmd.py in.lammps Nfreq Nsteps # in.lammps = LAMMPS input script # Nfreq = dump and viz shapshot every this many steps # Nsteps = run for this many steps import sys sys.path.append("./pizza") # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: viz_vmd.py in.lammps Nfreq Nsteps" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) nsteps = int(sys.argv[3]) me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all atom %d tmp.dump" % nfreq) # initial 0-step run to generate dump file and image lmp.command("run 0 pre yes post no") ntimestep = 0 # wrapper on VMD window via Pizza.py vmd tool # just proc 0 handles reading of dump file and viz if me == 0: from vmd import vmd v = vmd() v('menu main off') v.rep('VDW') from dump import dump from pdbfile import pdbfile d = dump('tmp.dump',0) p = pdbfile(d) d.next() d.unscale() p.single(ntimestep) v.new('tmp.pdb','pdb') # run nfreq steps at a time w/out pre/post, read dump snapshot, display it while ntimestep < nsteps: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: d.next() d.unscale() p.single(ntimestep) # add frame to current data set v.append('tmp.pdb','pdb') # delete all frame and add new. #v.update('tmp.dump') lmp.command("run 0 pre no post yes") if me == 0: v.flush() # uncomment the following, if you want to work with the viz some more. #v('menu main on') #print "type quit to terminate." #v.enter() #v.stop() # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/vizplotgui_vmd.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # vizplotgui_vmd.py # Purpose: viz running LAMMPS simulation via VMD with plot and GUI # Syntax: vizplotgui_vmd.py in.lammps Nfreq compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point and viz shapshot every this many steps # compute-ID = ID of compute that calculates temperature # (or any other scalar quantity) # IMPORTANT: this script cannot yet be run in parallel via Pypar, # because I can't seem to do a MPI-style broadcast in Pypar import sys,time sys.path.append("./pizza") # methods called by GUI def run(): global runflag runflag = 1 def stop(): global runflag runflag = 0 def settemp(value): global temptarget temptarget = slider.get() def quit(): global breakflag breakflag = 1 # method called by timestep loop every Nfreq steps # read dump snapshot and viz it, update plot with compute value def update(ntimestep): d.next() d.unscale() p.single(ntimestep) v.append('tmp.pdb','pdb') value = lmp.extract_compute(compute,0,0) xaxis.append(ntimestep) yaxis.append(value) gn.plot(xaxis,yaxis) # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: vizplotgui_vmd.py in.lammps Nfreq compute-ID" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) compute = sys.argv[3] me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it # dump a file in native LAMMPS dump format for Pizza.py dump tool lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all atom %d tmp.dump" % nfreq) # initial 0-step run to generate initial 1-point plot, dump file, and image lmp.command("run 0 pre yes post no") value = lmp.extract_compute(compute,0,0) ntimestep = 0 xaxis = [ntimestep] yaxis = [value] breakflag = 0 runflag = 0 temptarget = 1.0 # wrapper on VMD window via Pizza.py vmd tool # just proc 0 handles reading of dump file and viz if me == 0: from vmd import vmd v = vmd() v('menu main off') v.rep('VDW') from dump import dump from pdbfile import pdbfile d = dump('tmp.dump',0) p = pdbfile(d) d.next() d.unscale() p.single(ntimestep) v.new('tmp.pdb','pdb') # display GUI with run/stop buttons and slider for temperature if me == 0: from Tkinter import * tkroot = Tk() tkroot.withdraw() root = Toplevel(tkroot) root.title("LAMMPS GUI") frame = Frame(root) Button(frame,text="Run",command=run).pack(side=LEFT) Button(frame,text="Stop",command=stop).pack(side=LEFT) slider = Scale(frame,from_=0.0,to=5.0,resolution=0.1, orient=HORIZONTAL,label="Temperature") slider.bind('<ButtonRelease-1>',settemp) slider.set(temptarget) slider.pack(side=LEFT) Button(frame,text="Quit",command=quit).pack(side=RIGHT) frame.pack() tkroot.update() # wrapper on GnuPlot via Pizza.py gnu tool if me == 0: from gnu import gnu gn = gnu() gn.plot(xaxis,yaxis) gn.title(compute,"Timestep","Temperature") # endless loop, checking status of GUI settings every Nfreq steps # run with pre yes/no and post yes/no depending on go/stop status # re-invoke fix langevin with new seed when temperature slider changes # after re-invoke of fix langevin, run with pre yes running = 0 temp = temptarget seed = 12345 lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed)) while 1: if me == 0: tkroot.update() if temp != temptarget: temp = temptarget seed += me+1 lmp.command("fix 2 all langevin %g %g 0.1 12345" % (temp,temp)) running = 0 if runflag and running: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif runflag and not running: lmp.command("run %d pre yes post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif not runflag and running: lmp.command("run %d pre no post yes" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) if breakflag: break if runflag: running = 1 else: running = 0 time.sleep(0.01) lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/viz_pymol.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # viz_pymol.py # Purpose: viz running LAMMPS simulation via PyMol # Syntax: viz_pymol.py in.lammps Nfreq Nsteps # in.lammps = LAMMPS input script # Nfreq = dump and viz shapshot every this many steps # Nsteps = run for this many steps import sys sys.path.append("./pizza") # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: viz_pymol.py in.lammps Nfreq Nsteps" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) nsteps = int(sys.argv[3]) me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it # dump a file in native LAMMPS dump format for Pizza.py dump tool lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all atom %d tmp.dump" % nfreq) # initial 0-step run to generate dump file and image lmp.command("run 0 pre yes post no") ntimestep = 0 # wrapper on PyMol # just proc 0 handles reading of dump file and viz if me == 0: import pymol pymol.finish_launching() from dump import dump from pdbfile import pdbfile from pymol import cmd as pm d = dump("tmp.dump",0) p = pdbfile(d) d.next() d.unscale() p.single(ntimestep) pm.load("tmp.pdb") pm.show("spheres","tmp") # run nfreq steps at a time w/out pre/post, read dump snapshot, display it while ntimestep < nsteps: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: d.next() d.unscale() p.single(ntimestep) pm.load("tmp.pdb") pm.forward() lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
1,874
21.590361
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py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/vizplotgui_pymol.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # vizplotgui_pymol.py # Purpose: viz running LAMMPS simulation via PyMol with plot and GUI # Syntax: vizplotgui_pymol.py in.lammps Nfreq compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point and viz shapshot every this many steps # compute-ID = ID of compute that calculates temperature # (or any other scalar quantity) # IMPORTANT: this script cannot yet be run in parallel via Pypar, # because I can't seem to do a MPI-style broadcast in Pypar import sys,time sys.path.append("./pizza") # methods called by GUI def run(): global runflag runflag = 1 def stop(): global runflag runflag = 0 def settemp(value): global temptarget temptarget = slider.get() def quit(): global breakflag breakflag = 1 # method called by timestep loop every Nfreq steps # read dump snapshot and viz it, update plot with compute value def update(ntimestep): d.next() d.unscale() p.single(ntimestep) pm.load("tmp.pdb") pm.forward() value = lmp.extract_compute(compute,0,0) xaxis.append(ntimestep) yaxis.append(value) gn.plot(xaxis,yaxis) # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: vizplotgui_pymol.py in.lammps Nfreq compute-ID" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) compute = sys.argv[3] me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it # dump a file in native LAMMPS dump format for Pizza.py dump tool lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all atom %d tmp.dump" % nfreq) # initial 0-step run to generate initial 1-point plot, dump file, and image lmp.command("run 0 pre yes post no") value = lmp.extract_compute(compute,0,0) ntimestep = 0 xaxis = [ntimestep] yaxis = [value] breakflag = 0 runflag = 0 temptarget = 1.0 # wrapper on PyMol # just proc 0 handles reading of dump file and viz if me == 0: import pymol pymol.finish_launching() from dump import dump from pdbfile import pdbfile from pymol import cmd as pm d = dump("tmp.dump",0) p = pdbfile(d) d.next() d.unscale() p.single(ntimestep) pm.load("tmp.pdb") pm.show("spheres","tmp") # display GUI with run/stop buttons and slider for temperature if me == 0: from Tkinter import * tkroot = Tk() tkroot.withdraw() root = Toplevel(tkroot) root.title("LAMMPS GUI") frame = Frame(root) Button(frame,text="Run",command=run).pack(side=LEFT) Button(frame,text="Stop",command=stop).pack(side=LEFT) slider = Scale(frame,from_=0.0,to=5.0,resolution=0.1, orient=HORIZONTAL,label="Temperature") slider.bind('<ButtonRelease-1>',settemp) slider.set(temptarget) slider.pack(side=LEFT) Button(frame,text="Quit",command=quit).pack(side=RIGHT) frame.pack() tkroot.update() # wrapper on GnuPlot via Pizza.py gnu tool if me == 0: from gnu import gnu gn = gnu() gn.plot(xaxis,yaxis) gn.title(compute,"Timestep","Temperature") # endless loop, checking status of GUI settings every Nfreq steps # run with pre yes/no and post yes/no depending on go/stop status # re-invoke fix langevin with new seed when temperature slider changes # after re-invoke of fix langevin, run with pre yes running = 0 temp = temptarget seed = 12345 lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed)) while 1: if me == 0: tkroot.update() if temp != temptarget: temp = temptarget seed += me+1 lmp.command("fix 2 all langevin %g %g 0.1 12345" % (temp,temp)) running = 0 if runflag and running: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif runflag and not running: lmp.command("run %d pre yes post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif not runflag and running: lmp.command("run %d pre no post yes" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) if breakflag: break if runflag: running = 1 else: running = 0 time.sleep(0.01) lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/demo.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # demo.py # Purpose: illustrate use of many library interface commands # Syntax: demo.py # uses in.demo as LAMMPS input script import sys # parse command line argv = sys.argv if len(argv) != 1: print "Syntax: demo.py" sys.exit() me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # test out various library functions after running in.demo lmp.file("in.demo") if me == 0: print "\nPython output:" natoms = lmp.extract_global("natoms",0) mass = lmp.extract_atom("mass",2) x = lmp.extract_atom("x",3) print "Natoms, mass, x[0][0] coord =",natoms,mass[1],x[0][0] temp = lmp.extract_compute("thermo_temp",0,0) print "Temperature from compute =",temp eng = lmp.extract_variable("eng",None,0) print "Energy from equal-style variable =",eng vy = lmp.extract_variable("vy","all",1) print "Velocity component from atom-style variable =",vy[1] natoms = lmp.get_natoms() print "Natoms from get_natoms =",natoms xc = lmp.gather_atoms("x",1,3) print "Global coords from gather_atoms =",xc[0],xc[1],xc[31] xc[0] = xc[0] + 1.0 lmp.scatter_atoms("x",1,3,xc) print "Changed x[0][0] via scatter_atoms =",x[0][0] # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/plot.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # plot.py # Purpose: plot Temp of running LAMMPS simulation via GnuPlot in Pizza.py # Syntax: plot.py in.lammps Nfreq Nsteps compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point every this many steps # Nsteps = run for this many steps # compute-ID = ID of compute that calculates temperature # (or any other scalar quantity) import sys sys.path.append("./pizza") from gnu import gnu # parse command line argv = sys.argv if len(argv) != 5: print "Syntax: plot.py in.lammps Nfreq Nsteps compute-ID" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) nsteps = int(sys.argv[3]) compute = sys.argv[4] me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it lmp.file(infile) lmp.command("thermo %d" % nfreq) # initial 0-step run to generate initial 1-point plot lmp.command("run 0 pre yes post no") value = lmp.extract_compute(compute,0,0) ntimestep = 0 xaxis = [ntimestep] yaxis = [value] # wrapper on GnuPlot via Pizza.py gnu tool # just proc 0 handles plotting if me == 0: gn = gnu() gn.plot(xaxis,yaxis) gn.xrange(0,nsteps) gn.title(compute,"Timestep","Temperature") # run nfreq steps at a time w/out pre/post, query compute, refresh plot while ntimestep < nsteps: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq value = lmp.extract_compute(compute,0,0) xaxis.append(ntimestep) yaxis.append(value) if me == 0: gn.plot(xaxis,yaxis) lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/trivial.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # trivial.py # Purpose: run a LAMMPS input script via Python # Syntax: trivial.py in.lammps # in.lammps = LAMMPS input script import sys # parse command line argv = sys.argv if len(argv) != 2: print "Syntax: trivial.py in.lammps" sys.exit() infile = sys.argv[1] me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once lmp.file(infile) # run infile one line at a time #lines = open(infile,'r').readlines() #for line in lines: lmp.command(line) # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
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LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/vizplotgui_gl.py
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # vizplotgui_gl.py # Purpose: viz running LAMMPS simulation via GL tool with plot and GUI # Syntax: vizplotgui_gl.py in.lammps Nfreq compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point and viz shapshot every this many steps # compute-ID = ID of compute that calculates temperature # (or any other scalar quantity) # IMPORTANT: this script cannot yet be run in parallel via Pypar, # because I can't seem to do a MPI-style broadcast in Pypar import sys,time sys.path.append("./pizza") # methods called by GUI def run(): global runflag runflag = 1 def stop(): global runflag runflag = 0 def settemp(value): global temptarget temptarget = slider.get() def quit(): global breakflag breakflag = 1 # method called by timestep loop every Nfreq steps # read dump snapshot and viz it, update plot with compute value def update(ntimestep): d.next() d.unscale() g.show(ntimestep) value = lmp.extract_compute(compute,0,0) xaxis.append(ntimestep) yaxis.append(value) gn.plot(xaxis,yaxis) # parse command line argv = sys.argv if len(argv) != 4: print "Syntax: vizplotgui_gl.py in.lammps Nfreq compute-ID" sys.exit() infile = sys.argv[1] nfreq = int(sys.argv[2]) compute = sys.argv[3] me = 0 # uncomment if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() from lammps import lammps lmp = lammps() # run infile all at once # assumed to have no run command in it # dump a file in native LAMMPS dump format for Pizza.py dump tool lmp.file(infile) lmp.command("thermo %d" % nfreq) lmp.command("dump python all atom %d tmp.dump" % nfreq) # initial 0-step run to generate initial 1-point plot, dump file, and image lmp.command("run 0 pre yes post no") value = lmp.extract_compute(compute,0,0) ntimestep = 0 xaxis = [ntimestep] yaxis = [value] breakflag = 0 runflag = 0 temptarget = 1.0 # wrapper on GL window via Pizza.py gl tool # just proc 0 handles reading of dump file and viz if me == 0: from Tkinter import * tkroot = Tk() tkroot.withdraw() from dump import dump from gl import gl d = dump("tmp.dump",0) g = gl(d) d.next() d.unscale() g.zoom(1) g.shift(0,0) g.rotate(0,270) g.q(10) g.box(1) g.show(ntimestep) # display GUI with run/stop buttons and slider for temperature if me == 0: from Tkinter import * tkroot = Tk() tkroot.withdraw() root = Toplevel(tkroot) root.title("LAMMPS GUI") frame = Frame(root) Button(frame,text="Run",command=run).pack(side=LEFT) Button(frame,text="Stop",command=stop).pack(side=LEFT) slider = Scale(frame,from_=0.0,to=5.0,resolution=0.1, orient=HORIZONTAL,label="Temperature") slider.bind('<ButtonRelease-1>',settemp) slider.set(temptarget) slider.pack(side=LEFT) Button(frame,text="Quit",command=quit).pack(side=RIGHT) frame.pack() tkroot.update() # wrapper on GnuPlot via Pizza.py gnu tool if me == 0: from gnu import gnu gn = gnu() gn.plot(xaxis,yaxis) gn.title(compute,"Timestep","Temperature") # endless loop, checking status of GUI settings every Nfreq steps # run with pre yes/no and post yes/no depending on go/stop status # re-invoke fix langevin with new seed when temperature slider changes # after re-invoke of fix langevin, run with pre yes running = 0 temp = temptarget seed = 12345 lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed)) while 1: if me == 0: tkroot.update() if temp != temptarget: temp = temptarget seed += me+1 lmp.command("fix 2 all langevin %g %g 0.1 12345" % (temp,temp)) running = 0 if runflag and running: lmp.command("run %d pre no post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif runflag and not running: lmp.command("run %d pre yes post no" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) elif not runflag and running: lmp.command("run %d pre no post yes" % nfreq) ntimestep += nfreq if me == 0: update(ntimestep) if breakflag: break if runflag: running = 1 else: running = 0 time.sleep(0.01) lmp.command("run 0 pre no post yes") # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize()
4,373
23.852273
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py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/gnu.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # gnu tool oneline = "Create plots via GnuPlot plotting program" docstr = """ g = gnu() start up GnuPlot g.stop() shut down GnuPlot process g.plot(a) plot vector A against linear index g.plot(a,b) plot B against A g.plot(a,b,c,d,...) plot B against A, D against C, etc g.mplot(M,N,S,"file",a,b,...) multiple plots saved to file0000.eps, etc each plot argument can be a tuple, list, or Numeric/NumPy vector mplot loops over range(M,N,S) and create one plot per iteration last args are same as list of vectors for plot(), e.g. 1, 2, 4 vectors each plot is made from a portion of the vectors, depending on loop index i Ith plot is of b[0:i] vs a[0:i], etc series of plots saved as file0000.eps, file0001.eps, etc if use xrange(),yrange() then plot axes will be same for all plots g("plot 'file.dat' using 2:3 with lines") execute string in GnuPlot g.enter() enter GnuPlot shell gnuplot> plot sin(x) with lines type commands directly to GnuPlot gnuplot> exit, quit exit GnuPlot shell g.export("data",range(100),a,...) create file with columns of numbers all vectors must be of equal length could plot from file with GnuPlot command: plot 'data' using 1:2 with lines g.select(N) figure N becomes the current plot subsequent commands apply to this plot g.hide(N) delete window for figure N g.save("file") save current plot as file.eps Set attributes for current plot: g.erase() reset all attributes to default values g.aspect(1.3) aspect ratio g.xtitle("Time") x axis text g.ytitle("Energy") y axis text g.title("My Plot") title text g.title("title","x","y") title, x axis, y axis text g.xrange(xmin,xmax) x axis range g.xrange() default x axis range g.yrange(ymin,ymax) y axis range g.yrange() default y axis range g.xlog() toggle x axis between linear and log g.ylog() toggle y axis between linear and log g.label(x,y,"text") place label at x,y coords g.curve(N,'r') set color of curve N colors: 'k' = black, 'r' = red, 'g' = green, 'b' = blue 'm' = magenta, 'c' = cyan, 'y' = yellow """ # History # 8/05, Matt Jones (BYU): original version # 9/05, Steve Plimpton: added mplot() method # ToDo list # allow choice of JPG or PNG or GIF when saving ? # can this be done from GnuPlot or have to do via ImageMagick convert ? # way to trim EPS plot that is created ? # hide does not work on Mac aqua # select does not pop window to front on Mac aqua # Variables # current = index of current figure (1-N) # figures = list of figure objects with each plot's attributes # so they aren't lost between replots # Imports and external programs import types, os try: from DEFAULTS import PIZZA_GNUPLOT except: PIZZA_GNUPLOT = "gnuplot" try: from DEFAULTS import PIZZA_GNUTERM except: PIZZA_GNUTERM = "x11" # Class definition class gnu: # -------------------------------------------------------------------- def __init__(self): self.GNUPLOT = os.popen(PIZZA_GNUPLOT,'w') self.file = "tmp.gnu" self.figures = [] self.select(1) # -------------------------------------------------------------------- def stop(self): self.__call__("quit") del self.GNUPLOT # -------------------------------------------------------------------- def __call__(self,command): self.GNUPLOT.write(command + '\n') self.GNUPLOT.flush() # -------------------------------------------------------------------- def enter(self): while 1: command = raw_input("gnuplot> ") if command == "quit" or command == "exit": return self.__call__(command) # -------------------------------------------------------------------- # write plot vectors to files and plot them def plot(self,*vectors): if len(vectors) == 1: file = self.file + ".%d.1" % self.current linear = range(len(vectors[0])) self.export(file,linear,vectors[0]) self.figures[self.current-1].ncurves = 1 else: if len(vectors) % 2: raise StandardError,"vectors must come in pairs" for i in range(0,len(vectors),2): file = self.file + ".%d.%d" % (self.current,i/2+1) self.export(file,vectors[i],vectors[i+1]) self.figures[self.current-1].ncurves = len(vectors)/2 self.draw() # -------------------------------------------------------------------- # create multiple plots from growing vectors, save to numbered files # don't plot empty vector, create a [0] instead def mplot(self,start,stop,skip,file,*vectors): n = 0 for i in range(start,stop,skip): partial_vecs = [] for vec in vectors: if i: partial_vecs.append(vec[:i]) else: partial_vecs.append([0]) self.plot(*partial_vecs) if n < 10: newfile = file + "000" + str(n) elif n < 100: newfile = file + "00" + str(n) elif n < 1000: newfile = file + "0" + str(n) else: newfile = file + str(n) self.save(newfile) n += 1 # -------------------------------------------------------------------- # write list of equal-length vectors to filename def export(self,filename,*vectors): n = len(vectors[0]) for vector in vectors: if len(vector) != n: raise StandardError,"vectors must be same length" f = open(filename,'w') nvec = len(vectors) for i in xrange(n): for j in xrange(nvec): print >>f,vectors[j][i], print >>f f.close() # -------------------------------------------------------------------- # select plot N as current plot def select(self,n): self.current = n if len(self.figures) < n: for i in range(n - len(self.figures)): self.figures.append(figure()) cmd = "set term " + PIZZA_GNUTERM + ' ' + str(n) self.__call__(cmd) if self.figures[n-1].ncurves: self.draw() # -------------------------------------------------------------------- # delete window for plot N def hide(self,n): cmd = "set term %s close %d" % (PIZZA_GNUTERM,n) self.__call__(cmd) # -------------------------------------------------------------------- # save plot to file.eps # final re-select will reset terminal # do not continue until plot file is written out # else script could go forward and change data file # use tmp.done as semaphore to indicate plot is finished def save(self,file): self.__call__("set terminal postscript enhanced solid lw 2 color portrait") cmd = "set output '%s.eps'" % file self.__call__(cmd) if os.path.exists("tmp.done"): os.remove("tmp.done") self.draw() self.__call__("!touch tmp.done") while not os.path.exists("tmp.done"): continue self.__call__("set output") self.select(self.current) # -------------------------------------------------------------------- # restore default attributes by creating a new fig object def erase(self): fig = figure() fig.ncurves = self.figures[self.current-1].ncurves self.figures[self.current-1] = fig self.draw() # -------------------------------------------------------------------- def aspect(self,value): self.figures[self.current-1].aspect = value self.draw() # -------------------------------------------------------------------- def xrange(self,*values): if len(values) == 0: self.figures[self.current-1].xlimit = 0 else: self.figures[self.current-1].xlimit = (values[0],values[1]) self.draw() # -------------------------------------------------------------------- def yrange(self,*values): if len(values) == 0: self.figures[self.current-1].ylimit = 0 else: self.figures[self.current-1].ylimit = (values[0],values[1]) self.draw() # -------------------------------------------------------------------- def label(self,x,y,text): self.figures[self.current-1].labels.append((x,y,text)) self.figures[self.current-1].nlabels += 1 self.draw() # -------------------------------------------------------------------- def nolabels(self): self.figures[self.current-1].nlabel = 0 self.figures[self.current-1].labels = [] self.draw() # -------------------------------------------------------------------- def title(self,*strings): if len(strings) == 1: self.figures[self.current-1].title = strings[0] else: self.figures[self.current-1].title = strings[0] self.figures[self.current-1].xtitle = strings[1] self.figures[self.current-1].ytitle = strings[2] self.draw() # -------------------------------------------------------------------- def xtitle(self,label): self.figures[self.current-1].xtitle = label self.draw() # -------------------------------------------------------------------- def ytitle(self,label): self.figures[self.current-1].ytitle = label self.draw() # -------------------------------------------------------------------- def xlog(self): if self.figures[self.current-1].xlog: self.figures[self.current-1].xlog = 0 else: self.figures[self.current-1].xlog = 1 self.draw() # -------------------------------------------------------------------- def ylog(self): if self.figures[self.current-1].ylog: self.figures[self.current-1].ylog = 0 else: self.figures[self.current-1].ylog = 1 self.draw() # -------------------------------------------------------------------- def curve(self,num,color): fig = self.figures[self.current-1] while len(fig.colors) < num: fig.colors.append(0) fig.colors[num-1] = colormap[color] self.draw() # -------------------------------------------------------------------- # draw a plot with all its settings # just return if no files of vectors defined yet def draw(self): fig = self.figures[self.current-1] if not fig.ncurves: return cmd = 'set size ratio ' + str(1.0/float(fig.aspect)) self.__call__(cmd) cmd = 'set title ' + '"' + fig.title + '"' self.__call__(cmd) cmd = 'set xlabel ' + '"' + fig.xtitle + '"' self.__call__(cmd) cmd = 'set ylabel ' + '"' + fig.ytitle + '"' self.__call__(cmd) if fig.xlog: self.__call__("set logscale x") else: self.__call__("unset logscale x") if fig.ylog: self.__call__("set logscale y") else: self.__call__("unset logscale y") if fig.xlimit: cmd = 'set xr [' + str(fig.xlimit[0]) + ':' + str(fig.xlimit[1]) + ']' self.__call__(cmd) else: self.__call__("set xr [*:*]") if fig.ylimit: cmd = 'set yr [' + str(fig.ylimit[0]) + ':' + str(fig.ylimit[1]) + ']' self.__call__(cmd) else: self.__call__("set yr [*:*]") self.__call__("set nolabel") for i in range(fig.nlabels): x = fig.labels[i][0] y = fig.labels[i][1] text = fig.labels[i][2] cmd = 'set label ' + '\"' + text + '\" at ' + str(x) + ',' + str(y) self.__call__(cmd) self.__call__("set key off") cmd = 'plot ' for i in range(fig.ncurves): file = self.file + ".%d.%d" % (self.current,i+1) if len(fig.colors) > i and fig.colors[i]: cmd += "'" + file + "' using 1:2 with line %d, " % fig.colors[i] else: cmd += "'" + file + "' using 1:2 with lines, " self.__call__(cmd[:-2]) # -------------------------------------------------------------------- # class to store settings for a single plot class figure: def __init__(self): self.ncurves = 0 self.colors = [] self.title = "" self.xtitle = "" self.ytitle = "" self.aspect = 1.3 self.xlimit = 0 self.ylimit = 0 self.xlog = 0 self.ylog = 0 self.nlabels = 0 self.labels = [] # -------------------------------------------------------------------- # line color settings colormap = {'k':-1, 'r':1, 'g':2, 'b':3, 'm':4, 'c':5, 'y':7}
12,601
31.817708
79
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/dump.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # dump tool oneline = "Read, write, manipulate dump files and particle attributes" docstr = """ d = dump("dump.one") read in one or more dump files d = dump("dump.1 dump.2.gz") can be gzipped d = dump("dump.*") wildcard expands to multiple files d = dump("dump.*",0) two args = store filenames, but don't read incomplete and duplicate snapshots are deleted if atoms have 5 or 8 columns, assign id,type,x,y,z (ix,iy,iz) atoms will be unscaled if stored in files as scaled time = d.next() read next snapshot from dump files used with 2-argument constructor to allow reading snapshots one-at-a-time snapshot will be skipped only if another snapshot has same time stamp return time stamp of snapshot read return -1 if no snapshots left or last snapshot is incomplete no column name assignment or unscaling is performed d.map(1,"id",3,"x") assign names to atom columns (1-N) not needed if dump file is self-describing d.tselect.all() select all timesteps d.tselect.one(N) select only timestep N d.tselect.none() deselect all timesteps d.tselect.skip(M) select every Mth step d.tselect.test("$t >= 100 and $t < 10000") select matching timesteps d.delete() delete non-selected timesteps selecting a timestep also selects all atoms in the timestep skip() and test() only select from currently selected timesteps test() uses a Python Boolean expression with $t for timestep value Python comparison syntax: == != < > <= >= and or d.aselect.all() select all atoms in all steps d.aselect.all(N) select all atoms in one step d.aselect.test("$id > 100 and $type == 2") select match atoms in all steps d.aselect.test("$id > 100 and $type == 2",N) select matching atoms in one step all() with no args selects atoms from currently selected timesteps test() with one arg selects atoms from currently selected timesteps test() sub-selects from currently selected atoms test() uses a Python Boolean expression with $ for atom attributes Python comparison syntax: == != < > <= >= and or $name must end with a space d.write("file") write selected steps/atoms to dump file d.write("file",head,app) write selected steps/atoms to dump file d.scatter("tmp") write selected steps/atoms to multiple files write() can be specified with 2 additional flags headd = 0/1 for no/yes snapshot header, app = 0/1 for write vs append scatter() files are given timestep suffix: e.g. tmp.0, tmp.100, etc d.scale() scale x,y,z to 0-1 for all timesteps d.scale(100) scale atom coords for timestep N d.unscale() unscale x,y,z to box size to all timesteps d.unscale(1000) unscale atom coords for timestep N d.wrap() wrap x,y,z into periodic box via ix,iy,iz d.unwrap() unwrap x,y,z out of box via ix,iy,iz d.owrap("other") wrap x,y,z to same image as another atom d.sort() sort atoms by atom ID in all selected steps d.sort("x") sort atoms by column value in all steps d.sort(1000) sort atoms in timestep N scale(), unscale(), wrap(), unwrap(), owrap() operate on all steps and atoms wrap(), unwrap(), owrap() require ix,iy,iz be defined owrap() requires a column be defined which contains an atom ID name of that column is the argument to owrap() x,y,z for each atom is wrapped to same image as the associated atom ID useful for wrapping all molecule's atoms the same so it is contiguous m1,m2 = d.minmax("type") find min/max values for a column d.set("$ke = $vx * $vx + $vy * $vy") set a column to a computed value d.setv("type",vector) set a column to a vector of values d.spread("ke",N,"color") 2nd col = N ints spread over 1st col d.clone(1000,"color") clone timestep N values to other steps minmax() operates on selected timesteps and atoms set() operates on selected timesteps and atoms left hand side column is created if necessary left-hand side column is unset or unchanged for non-selected atoms equation is in Python syntax use $ for column names, $name must end with a space setv() operates on selected timesteps and atoms if column label does not exist, column is created values in vector are assigned sequentially to atoms, so may want to sort() length of vector must match # of selected atoms spread() operates on selected timesteps and atoms min and max are found for 1st specified column across all selected atoms atom's value is linear mapping (1-N) between min and max that is stored in 2nd column (created if needed) useful for creating a color map clone() operates on selected timesteps and atoms values at every timestep are set to value at timestep N for that atom ID useful for propagating a color map t = d.time() return vector of selected timestep values fx,fy,... = d.atom(100,"fx","fy",...) return vector(s) for atom ID N fx,fy,... = d.vecs(1000,"fx","fy",...) return vector(s) for timestep N atom() returns vectors with one value for each selected timestep vecs() returns vectors with one value for each selected atom in the timestep index,time,flag = d.iterator(0/1) loop over dump snapshots time,box,atoms,bonds,tris = d.viz(index) return list of viz objects d.atype = "color" set column returned as "type" by viz d.extra("dump.bond") read bond list from dump file d.extra(data) extract bond/tri/line list from data iterator() loops over selected timesteps iterator() called with arg = 0 first time, with arg = 1 on subsequent calls index = index within dump object (0 to # of snapshots) time = timestep value flag = -1 when iteration is done, 1 otherwise viz() returns info for selected atoms for specified timestep index time = timestep value box = [xlo,ylo,zlo,xhi,yhi,zhi] atoms = id,type,x,y,z for each atom as 2d array bonds = id,type,x1,y1,z1,x2,y2,z2,t1,t2 for each bond as 2d array if bonds() was used to define bonds, else empty list tris = id,type,x1,y1,z1,x2,y2,z2,x3,y3,z3,nx,ny,nz for each tri as 2d array if extra() was used to define tris, else empty list lines = id,type,x1,y1,z1,x2,y2,z2 for each line as 2d array if extra() was used to define lines, else empty list atype is column name viz() will return as atom type (def = "type") extra() stores list of bonds/tris/lines to return each time viz() is called """ # History # 8/05, Steve Plimpton (SNL): original version # 12/09, David Hart (SNL): allow use of NumPy or Numeric # ToDo list # try to optimize this line in read_snap: words += f.readline().split() # allow $name in aselect.test() and set() to end with non-space # should next() snapshot be auto-unscaled ? # Variables # flist = list of dump file names # increment = 1 if reading snapshots one-at-a-time # nextfile = which file to read from via next() # eof = ptr into current file for where to read via next() # nsnaps = # of snapshots # nselect = # of selected snapshots # snaps = list of snapshots # names = dictionary of column names: # key = "id", value = column # (0 to M-1) # tselect = class for time selection # aselect = class for atom selection # atype = name of vector used as atom type by viz extract # bondflag = 0 if no bonds, 1 if they are defined statically # bondlist = static list of bonds to viz() return for all snapshots # only a list of atom pairs, coords have to be created for each snapshot # triflag = 0 if no tris, 1 if they are defined statically, 2 if dynamic # trilist = static list of tris to return via viz() for all snapshots # lineflag = 0 if no lines, 1 if they are defined statically # linelist = static list of lines to return via viz() for all snapshots # Snap = one snapshot # time = time stamp # tselect = 0/1 if this snapshot selected # natoms = # of atoms # nselect = # of selected atoms in this snapshot # aselect[i] = 0/1 for each atom # xlo,xhi,ylo,yhi,zlo,zhi = box bounds (float) # atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1 # Imports and external programs import sys, commands, re, glob, types from os import popen from math import * # any function could be used by set() try: import numpy as np oldnumeric = False except: import Numeric as np oldnumeric = True try: from DEFAULTS import PIZZA_GUNZIP except: PIZZA_GUNZIP = "gunzip" # Class definition class dump: # -------------------------------------------------------------------- def __init__(self,*list): self.snaps = [] self.nsnaps = self.nselect = 0 self.names = {} self.tselect = tselect(self) self.aselect = aselect(self) self.atype = "type" self.bondflag = 0 self.bondlist = [] self.triflag = 0 self.trilist = [] self.triobj = 0 self.lineflag = 0 self.linelist = [] # flist = list of all dump file names words = list[0].split() self.flist = [] for word in words: self.flist += glob.glob(word) if len(self.flist) == 0 and len(list) == 1: raise StandardError,"no dump file specified" if len(list) == 1: self.increment = 0 self.read_all() else: self.increment = 1 self.nextfile = 0 self.eof = 0 # -------------------------------------------------------------------- def read_all(self): # read all snapshots from each file # test for gzipped files for file in self.flist: if file[-3:] == ".gz": f = popen("%s -c %s" % (PIZZA_GUNZIP,file),'r') else: f = open(file) snap = self.read_snapshot(f) while snap: self.snaps.append(snap) print snap.time, sys.stdout.flush() snap = self.read_snapshot(f) f.close() print # sort entries by timestep, cull duplicates self.snaps.sort(self.compare_time) self.cull() self.nsnaps = len(self.snaps) print "read %d snapshots" % self.nsnaps # select all timesteps and atoms self.tselect.all() # set default names for atom columns if file wasn't self-describing if len(self.snaps) == 0: print "no column assignments made" elif len(self.names): print "assigned columns:",self.names2str() elif self.snaps[0].atoms == None: print "no column assignments made" elif len(self.snaps[0].atoms[0]) == 5: self.map(1,"id",2,"type",3,"x",4,"y",5,"z") print "assigned columns:",self.names2str() elif len(self.snaps[0].atoms[0]) == 8: self.map(1,"id",2,"type",3,"x",4,"y",5,"z",6,"ix",7,"iy",8,"iz") print "assigned columns:",self.names2str() else: print "no column assignments made" # if snapshots are scaled, unscale them if (not self.names.has_key("x")) or \ (not self.names.has_key("y")) or \ (not self.names.has_key("z")): print "no unscaling could be performed" elif self.nsnaps > 0: if self.scaled(self.nsnaps-1): self.unscale() else: print "dump is already unscaled" # -------------------------------------------------------------------- # read next snapshot from list of files def next(self): if not self.increment: raise StandardError,"cannot read incrementally" # read next snapshot in current file using eof as pointer # if fail, try next file # if new snapshot time stamp already exists, read next snapshot while 1: f = open(self.flist[self.nextfile],'rb') f.seek(self.eof) snap = self.read_snapshot(f) if not snap: self.nextfile += 1 if self.nextfile == len(self.flist): return -1 f.close() self.eof = 0 continue self.eof = f.tell() f.close() try: self.findtime(snap.time) continue except: break # select the new snapshot with all its atoms self.snaps.append(snap) snap = self.snaps[self.nsnaps] snap.tselect = 1 snap.nselect = snap.natoms for i in xrange(snap.natoms): snap.aselect[i] = 1 self.nsnaps += 1 self.nselect += 1 return snap.time # -------------------------------------------------------------------- # read a single snapshot from file f # return snapshot or 0 if failed # assign column names if not already done and file is self-describing # convert xs,xu to x def read_snapshot(self,f): try: snap = Snap() item = f.readline() snap.time = int(f.readline().split()[0]) # just grab 1st field item = f.readline() snap.natoms = int(f.readline()) snap.aselect = np.zeros(snap.natoms) item = f.readline() words = f.readline().split() snap.xlo,snap.xhi = float(words[0]),float(words[1]) words = f.readline().split() snap.ylo,snap.yhi = float(words[0]),float(words[1]) words = f.readline().split() snap.zlo,snap.zhi = float(words[0]),float(words[1]) item = f.readline() if len(self.names) == 0: words = item.split()[2:] if len(words): for i in range(len(words)): if words[i] == "xs" or words[i] == "xu": self.names["x"] = i elif words[i] == "ys" or words[i] == "yu": self.names["y"] = i elif words[i] == "zs" or words[i] == "zu": self.names["z"] = i else: self.names[words[i]] = i if snap.natoms: words = f.readline().split() ncol = len(words) for i in xrange(1,snap.natoms): words += f.readline().split() floats = map(float,words) if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float) else: atoms = np.zeros((snap.natoms,ncol),np.float) start = 0 stop = ncol for i in xrange(snap.natoms): atoms[i] = floats[start:stop] start = stop stop += ncol else: atoms = None snap.atoms = atoms return snap except: return 0 # -------------------------------------------------------------------- # decide if snapshot i is scaled/unscaled from coords of first and last atom def scaled(self,i): ix = self.names["x"] iy = self.names["y"] iz = self.names["z"] natoms = self.snaps[i].natoms if natoms == 0: return 0 x1 = self.snaps[i].atoms[0][ix] y1 = self.snaps[i].atoms[0][iy] z1 = self.snaps[i].atoms[0][iz] x2 = self.snaps[i].atoms[natoms-1][ix] y2 = self.snaps[i].atoms[natoms-1][iy] z2 = self.snaps[i].atoms[natoms-1][iz] if x1 >= -0.1 and x1 <= 1.1 and y1 >= -0.1 and y1 <= 1.1 and \ z1 >= -0.1 and z1 <= 1.1 and x2 >= -0.1 and x2 <= 1.1 and \ y2 >= -0.1 and y2 <= 1.1 and z2 >= -0.1 and z2 <= 1.1: return 1 else: return 0 # -------------------------------------------------------------------- # map atom column names def map(self,*pairs): if len(pairs) % 2 != 0: raise StandardError, "dump map() requires pairs of mappings" for i in range(0,len(pairs),2): j = i + 1 self.names[pairs[j]] = pairs[i]-1 # delete unselected snapshots # -------------------------------------------------------------------- def delete(self): ndel = i = 0 while i < self.nsnaps: if not self.snaps[i].tselect: del self.snaps[i] self.nsnaps -= 1 ndel += 1 else: i += 1 print "%d snapshots deleted" % ndel print "%d snapshots remaining" % self.nsnaps # -------------------------------------------------------------------- # scale coords to 0-1 for all snapshots or just one def scale(self,*list): if len(list) == 0: print "Scaling dump ..." x = self.names["x"] y = self.names["y"] z = self.names["z"] for snap in self.snaps: self.scale_one(snap,x,y,z) else: i = self.findtime(list[0]) x = self.names["x"] y = self.names["y"] z = self.names["z"] self.scale_one(self.snaps[i],x,y,z) # -------------------------------------------------------------------- def scale_one(self,snap,x,y,z): xprdinv = 1.0 / (snap.xhi - snap.xlo) yprdinv = 1.0 / (snap.yhi - snap.ylo) zprdinv = 1.0 / (snap.zhi - snap.zlo) atoms = snap.atoms atoms[:,x] = (atoms[:,x] - snap.xlo) * xprdinv atoms[:,y] = (atoms[:,y] - snap.ylo) * yprdinv atoms[:,z] = (atoms[:,z] - snap.zlo) * zprdinv # -------------------------------------------------------------------- # unscale coords from 0-1 to box size for all snapshots or just one def unscale(self,*list): if len(list) == 0: print "Unscaling dump ..." x = self.names["x"] y = self.names["y"] z = self.names["z"] for snap in self.snaps: self.unscale_one(snap,x,y,z) else: i = self.findtime(list[0]) x = self.names["x"] y = self.names["y"] z = self.names["z"] self.unscale_one(self.snaps[i],x,y,z) # -------------------------------------------------------------------- def unscale_one(self,snap,x,y,z): xprd = snap.xhi - snap.xlo yprd = snap.yhi - snap.ylo zprd = snap.zhi - snap.zlo atoms = snap.atoms atoms[:,x] = snap.xlo + atoms[:,x]*xprd atoms[:,y] = snap.ylo + atoms[:,y]*yprd atoms[:,z] = snap.zlo + atoms[:,z]*zprd # -------------------------------------------------------------------- # wrap coords from outside box to inside def wrap(self): print "Wrapping dump ..." x = self.names["x"] y = self.names["y"] z = self.names["z"] ix = self.names["ix"] iy = self.names["iy"] iz = self.names["iz"] for snap in self.snaps: xprd = snap.xhi - snap.xlo yprd = snap.yhi - snap.ylo zprd = snap.zhi - snap.zlo atoms = snap.atoms atoms[:,x] -= atoms[:,ix]*xprd atoms[:,y] -= atoms[:,iy]*yprd atoms[:,z] -= atoms[:,iz]*zprd # -------------------------------------------------------------------- # unwrap coords from inside box to outside def unwrap(self): print "Unwrapping dump ..." x = self.names["x"] y = self.names["y"] z = self.names["z"] ix = self.names["ix"] iy = self.names["iy"] iz = self.names["iz"] for snap in self.snaps: xprd = snap.xhi - snap.xlo yprd = snap.yhi - snap.ylo zprd = snap.zhi - snap.zlo atoms = snap.atoms atoms[:,x] += atoms[:,ix]*xprd atoms[:,y] += atoms[:,iy]*yprd atoms[:,z] += atoms[:,iz]*zprd # -------------------------------------------------------------------- # wrap coords to same image as atom ID stored in "other" column def owrap(self,other): print "Wrapping to other ..." id = self.names["id"] x = self.names["x"] y = self.names["y"] z = self.names["z"] ix = self.names["ix"] iy = self.names["iy"] iz = self.names["iz"] iother = self.names[other] for snap in self.snaps: xprd = snap.xhi - snap.xlo yprd = snap.yhi - snap.ylo zprd = snap.zhi - snap.zlo atoms = snap.atoms ids = {} for i in xrange(snap.natoms): ids[atoms[i][id]] = i for i in xrange(snap.natoms): j = ids[atoms[i][iother]] atoms[i][x] += (atoms[i][ix]-atoms[j][ix])*xprd atoms[i][y] += (atoms[i][iy]-atoms[j][iy])*yprd atoms[i][z] += (atoms[i][iz]-atoms[j][iz])*zprd # -------------------------------------------------------------------- # convert column names assignment to a string, in column order def names2str(self): ncol = len(self.snaps[0].atoms[0]) pairs = self.names.items() values = self.names.values() str = "" for i in xrange(ncol): if i in values: str += pairs[values.index(i)][0] + ' ' return str # -------------------------------------------------------------------- # sort atoms by atom ID in all selected timesteps by default # if arg = string, sort all steps by that column # if arg = numeric, sort atoms in single step def sort(self,*list): if len(list) == 0: print "Sorting selected snapshots ..." id = self.names["id"] for snap in self.snaps: if snap.tselect: self.sort_one(snap,id) elif type(list[0]) is types.StringType: print "Sorting selected snapshots by %s ..." % list[0] id = self.names[list[0]] for snap in self.snaps: if snap.tselect: self.sort_one(snap,id) else: i = self.findtime(list[0]) id = self.names["id"] self.sort_one(self.snaps[i],id) # -------------------------------------------------------------------- # sort a single snapshot by ID column def sort_one(self,snap,id): atoms = snap.atoms ids = atoms[:,id] ordering = np.argsort(ids) for i in xrange(len(atoms[0])): atoms[:,i] = np.take(atoms[:,i],ordering) # -------------------------------------------------------------------- # write a single dump file from current selection def write(self,file,header=1,append=0): if len(self.snaps): namestr = self.names2str() if not append: f = open(file,"w") else: f = open(file,"a") for snap in self.snaps: if not snap.tselect: continue print snap.time, sys.stdout.flush() if header: print >>f,"ITEM: TIMESTEP" print >>f,snap.time print >>f,"ITEM: NUMBER OF ATOMS" print >>f,snap.nselect print >>f,"ITEM: BOX BOUNDS" print >>f,snap.xlo,snap.xhi print >>f,snap.ylo,snap.yhi print >>f,snap.zlo,snap.zhi print >>f,"ITEM: ATOMS",namestr atoms = snap.atoms nvalues = len(atoms[0]) for i in xrange(snap.natoms): if not snap.aselect[i]: continue line = "" for j in xrange(nvalues): if (j < 2): line += str(int(atoms[i][j])) + " " else: line += str(atoms[i][j]) + " " print >>f,line f.close() print "\n%d snapshots" % self.nselect # -------------------------------------------------------------------- # write one dump file per snapshot from current selection def scatter(self,root): if len(self.snaps): namestr = self.names2str() for snap in self.snaps: if not snap.tselect: continue print snap.time, sys.stdout.flush() file = root + "." + str(snap.time) f = open(file,"w") print >>f,"ITEM: TIMESTEP" print >>f,snap.time print >>f,"ITEM: NUMBER OF ATOMS" print >>f,snap.nselect print >>f,"ITEM: BOX BOUNDS" print >>f,snap.xlo,snap.xhi print >>f,snap.ylo,snap.yhi print >>f,snap.zlo,snap.zhi print >>f,"ITEM: ATOMS",namestr atoms = snap.atoms nvalues = len(atoms[0]) for i in xrange(snap.natoms): if not snap.aselect[i]: continue line = "" for j in xrange(nvalues): if (j < 2): line += str(int(atoms[i][j])) + " " else: line += str(atoms[i][j]) + " " print >>f,line f.close() print "\n%d snapshots" % self.nselect # -------------------------------------------------------------------- # find min/max across all selected snapshots/atoms for a particular column def minmax(self,colname): icol = self.names[colname] min = 1.0e20 max = -min for snap in self.snaps: if not snap.tselect: continue atoms = snap.atoms for i in xrange(snap.natoms): if not snap.aselect[i]: continue if atoms[i][icol] < min: min = atoms[i][icol] if atoms[i][icol] > max: max = atoms[i][icol] return (min,max) # -------------------------------------------------------------------- # set a column value via an equation for all selected snapshots def set(self,eq): print "Setting ..." pattern = "\$\w*" list = re.findall(pattern,eq) lhs = list[0][1:] if not self.names.has_key(lhs): self.newcolumn(lhs) for item in list: name = item[1:] column = self.names[name] insert = "snap.atoms[i][%d]" % (column) eq = eq.replace(item,insert) ceq = compile(eq,'','single') for snap in self.snaps: if not snap.tselect: continue for i in xrange(snap.natoms): if snap.aselect[i]: exec ceq # -------------------------------------------------------------------- # set a column value via an input vec for all selected snapshots/atoms def setv(self,colname,vec): print "Setting ..." if not self.names.has_key(colname): self.newcolumn(colname) icol = self.names[colname] for snap in self.snaps: if not snap.tselect: continue if snap.nselect != len(vec): raise StandardError,"vec length does not match # of selected atoms" atoms = snap.atoms m = 0 for i in xrange(snap.natoms): if snap.aselect[i]: atoms[i][icol] = vec[m] m += 1 # -------------------------------------------------------------------- # clone value in col across selected timesteps for atoms with same ID def clone(self,nstep,col): istep = self.findtime(nstep) icol = self.names[col] id = self.names["id"] ids = {} for i in xrange(self.snaps[istep].natoms): ids[self.snaps[istep].atoms[i][id]] = i for snap in self.snaps: if not snap.tselect: continue atoms = snap.atoms for i in xrange(snap.natoms): if not snap.aselect[i]: continue j = ids[atoms[i][id]] atoms[i][icol] = self.snaps[istep].atoms[j][icol] # -------------------------------------------------------------------- # values in old column are spread as ints from 1-N and assigned to new column def spread(self,old,n,new): iold = self.names[old] if not self.names.has_key(new): self.newcolumn(new) inew = self.names[new] min,max = self.minmax(old) print "min/max = ",min,max gap = max - min invdelta = n/gap for snap in self.snaps: if not snap.tselect: continue atoms = snap.atoms for i in xrange(snap.natoms): if not snap.aselect[i]: continue ivalue = int((atoms[i][iold] - min) * invdelta) + 1 if ivalue > n: ivalue = n if ivalue < 1: ivalue = 1 atoms[i][inew] = ivalue # -------------------------------------------------------------------- # return vector of selected snapshot time stamps def time(self): vec = self.nselect * [0] i = 0 for snap in self.snaps: if not snap.tselect: continue vec[i] = snap.time i += 1 return vec # -------------------------------------------------------------------- # extract vector(s) of values for atom ID n at each selected timestep def atom(self,n,*list): if len(list) == 0: raise StandardError, "no columns specified" columns = [] values = [] for name in list: columns.append(self.names[name]) values.append(self.nselect * [0]) ncol = len(columns) id = self.names["id"] m = 0 for snap in self.snaps: if not snap.tselect: continue atoms = snap.atoms for i in xrange(snap.natoms): if atoms[i][id] == n: break if atoms[i][id] != n: raise StandardError, "could not find atom ID in snapshot" for j in xrange(ncol): values[j][m] = atoms[i][columns[j]] m += 1 if len(list) == 1: return values[0] else: return values # -------------------------------------------------------------------- # extract vector(s) of values for selected atoms at chosen timestep def vecs(self,n,*list): snap = self.snaps[self.findtime(n)] if len(list) == 0: raise StandardError, "no columns specified" columns = [] values = [] for name in list: columns.append(self.names[name]) values.append(snap.nselect * [0]) ncol = len(columns) m = 0 for i in xrange(snap.natoms): if not snap.aselect[i]: continue for j in xrange(ncol): values[j][m] = snap.atoms[i][columns[j]] m += 1 if len(list) == 1: return values[0] else: return values # -------------------------------------------------------------------- # add a new column to every snapshot and set value to 0 # set the name of the column to str def newcolumn(self,str): ncol = len(self.snaps[0].atoms[0]) self.map(ncol+1,str) for snap in self.snaps: atoms = snap.atoms if oldnumeric: newatoms = np.zeros((snap.natoms,ncol+1),np.Float) else: newatoms = np.zeros((snap.natoms,ncol+1),np.float) newatoms[:,0:ncol] = snap.atoms snap.atoms = newatoms # -------------------------------------------------------------------- # sort snapshots on time stamp def compare_time(self,a,b): if a.time < b.time: return -1 elif a.time > b.time: return 1 else: return 0 # -------------------------------------------------------------------- # delete successive snapshots with duplicate time stamp def cull(self): i = 1 while i < len(self.snaps): if self.snaps[i].time == self.snaps[i-1].time: del self.snaps[i] else: i += 1 # -------------------------------------------------------------------- # iterate over selected snapshots def iterator(self,flag): start = 0 if flag: start = self.iterate + 1 for i in xrange(start,self.nsnaps): if self.snaps[i].tselect: self.iterate = i return i,self.snaps[i].time,1 return 0,0,-1 # -------------------------------------------------------------------- # return list of atoms to viz for snapshot isnap # augment with bonds, tris, lines if extra() was invoked def viz(self,isnap): snap = self.snaps[isnap] time = snap.time box = [snap.xlo,snap.ylo,snap.zlo,snap.xhi,snap.yhi,snap.zhi] id = self.names["id"] type = self.names[self.atype] x = self.names["x"] y = self.names["y"] z = self.names["z"] # create atom list needed by viz from id,type,x,y,z # need Numeric/Numpy mode here atoms = [] for i in xrange(snap.natoms): if not snap.aselect[i]: continue atom = snap.atoms[i] atoms.append([atom[id],atom[type],atom[x],atom[y],atom[z]]) # create list of current bond coords from static bondlist # alist = dictionary of atom IDs for atoms list # lookup bond atom IDs in alist and grab their coords # try is used since some atoms may be unselected # any bond with unselected atom is not returned to viz caller # need Numeric/Numpy mode here bonds = [] if self.bondflag: alist = {} for i in xrange(len(atoms)): alist[int(atoms[i][0])] = i for bond in self.bondlist: try: i = alist[bond[2]] j = alist[bond[3]] atom1 = atoms[i] atom2 = atoms[j] bonds.append([bond[0],bond[1],atom1[2],atom1[3],atom1[4], atom2[2],atom2[3],atom2[4],atom1[1],atom2[1]]) except: continue tris = [] if self.triflag: if self.triflag == 1: tris = self.trilist elif self.triflag == 2: timetmp,boxtmp,atomstmp,bondstmp, \ tris,linestmp = self.triobj.viz(time,1) lines = [] if self.lineflag: lines = self.linelist return time,box,atoms,bonds,tris,lines # -------------------------------------------------------------------- def findtime(self,n): for i in xrange(self.nsnaps): if self.snaps[i].time == n: return i raise StandardError, "no step %d exists" % n # -------------------------------------------------------------------- # return maximum box size across all selected snapshots def maxbox(self): xlo = ylo = zlo = None xhi = yhi = zhi = None for snap in self.snaps: if not snap.tselect: continue if xlo == None or snap.xlo < xlo: xlo = snap.xlo if xhi == None or snap.xhi > xhi: xhi = snap.xhi if ylo == None or snap.ylo < ylo: ylo = snap.ylo if yhi == None or snap.yhi > yhi: yhi = snap.yhi if zlo == None or snap.zlo < zlo: zlo = snap.zlo if zhi == None or snap.zhi > zhi: zhi = snap.zhi return [xlo,ylo,zlo,xhi,yhi,zhi] # -------------------------------------------------------------------- # return maximum atom type across all selected snapshots and atoms def maxtype(self): icol = self.names["type"] max = 0 for snap in self.snaps: if not snap.tselect: continue atoms = snap.atoms for i in xrange(snap.natoms): if not snap.aselect[i]: continue if atoms[i][icol] > max: max = atoms[i][icol] return int(max) # -------------------------------------------------------------------- # grab bonds/tris/lines from another object def extra(self,arg): # read bonds from bond dump file if type(arg) is types.StringType: try: f = open(arg,'r') item = f.readline() time = int(f.readline()) item = f.readline() nbonds = int(f.readline()) item = f.readline() if not re.search("BONDS",item): raise StandardError, "could not read bonds from dump file" words = f.readline().split() ncol = len(words) for i in xrange(1,nbonds): words += f.readline().split() f.close() # convert values to int and absolute value since can be negative types if oldnumeric: bondlist = np.zeros((nbonds,4),np.Int) else: bondlist = np.zeros((nbonds,4),np.int) ints = [abs(int(value)) for value in words] start = 0 stop = 4 for i in xrange(nbonds): bondlist[i] = ints[start:stop] start += ncol stop += ncol if bondlist: self.bondflag = 1 self.bondlist = bondlist except: raise StandardError,"could not read from bond dump file" # request bonds from data object elif type(arg) is types.InstanceType and ".data" in str(arg.__class__): try: bondlist = [] bondlines = arg.sections["Bonds"] for line in bondlines: words = line.split() bondlist.append([int(words[0]),int(words[1]), int(words[2]),int(words[3])]) if bondlist: self.bondflag = 1 self.bondlist = bondlist except: raise StandardError,"could not extract bonds from data object" # request tris/lines from cdata object elif type(arg) is types.InstanceType and ".cdata" in str(arg.__class__): try: tmp,tmp,tmp,tmp,tris,lines = arg.viz(0) if tris: self.triflag = 1 self.trilist = tris if lines: self.lineflag = 1 self.linelist = lines except: raise StandardError,"could not extract tris/lines from cdata object" # request tris from mdump object elif type(arg) is types.InstanceType and ".mdump" in str(arg.__class__): try: self.triflag = 2 self.triobj = arg except: raise StandardError,"could not extract tris from mdump object" else: raise StandardError,"unrecognized argument to dump.extra()" # -------------------------------------------------------------------- def compare_atom(self,a,b): if a[0] < b[0]: return -1 elif a[0] > b[0]: return 1 else: return 0 # -------------------------------------------------------------------- # one snapshot class Snap: pass # -------------------------------------------------------------------- # time selection class class tselect: def __init__(self,data): self.data = data # -------------------------------------------------------------------- def all(self): data = self.data for snap in data.snaps: snap.tselect = 1 data.nselect = len(data.snaps) data.aselect.all() print "%d snapshots selected out of %d" % (data.nselect,data.nsnaps) # -------------------------------------------------------------------- def one(self,n): data = self.data for snap in data.snaps: snap.tselect = 0 i = data.findtime(n) data.snaps[i].tselect = 1 data.nselect = 1 data.aselect.all() print "%d snapshots selected out of %d" % (data.nselect,data.nsnaps) # -------------------------------------------------------------------- def none(self): data = self.data for snap in data.snaps: snap.tselect = 0 data.nselect = 0 print "%d snapshots selected out of %d" % (data.nselect,data.nsnaps) # -------------------------------------------------------------------- def skip(self,n): data = self.data count = n-1 for snap in data.snaps: if not snap.tselect: continue count += 1 if count == n: count = 0 continue snap.tselect = 0 data.nselect -= 1 data.aselect.all() print "%d snapshots selected out of %d" % (data.nselect,data.nsnaps) # -------------------------------------------------------------------- def test(self,teststr): data = self.data snaps = data.snaps cmd = "flag = " + teststr.replace("$t","snaps[i].time") ccmd = compile(cmd,'','single') for i in xrange(data.nsnaps): if not snaps[i].tselect: continue exec ccmd if not flag: snaps[i].tselect = 0 data.nselect -= 1 data.aselect.all() print "%d snapshots selected out of %d" % (data.nselect,data.nsnaps) # -------------------------------------------------------------------- # atom selection class class aselect: def __init__(self,data): self.data = data # -------------------------------------------------------------------- def all(self,*args): data = self.data if len(args) == 0: # all selected timesteps for snap in data.snaps: if not snap.tselect: continue for i in xrange(snap.natoms): snap.aselect[i] = 1 snap.nselect = snap.natoms else: # one timestep n = data.findtime(args[0]) snap = data.snaps[n] for i in xrange(snap.natoms): snap.aselect[i] = 1 snap.nselect = snap.natoms # -------------------------------------------------------------------- def test(self,teststr,*args): data = self.data # replace all $var with snap.atoms references and compile test string pattern = "\$\w*" list = re.findall(pattern,teststr) for item in list: name = item[1:] column = data.names[name] insert = "snap.atoms[i][%d]" % column teststr = teststr.replace(item,insert) cmd = "flag = " + teststr ccmd = compile(cmd,'','single') if len(args) == 0: # all selected timesteps for snap in data.snaps: if not snap.tselect: continue for i in xrange(snap.natoms): if not snap.aselect[i]: continue exec ccmd if not flag: snap.aselect[i] = 0 snap.nselect -= 1 for i in xrange(data.nsnaps): if data.snaps[i].tselect: print "%d atoms of %d selected in first step %d" % \ (data.snaps[i].nselect,data.snaps[i].natoms,data.snaps[i].time) break for i in xrange(data.nsnaps-1,-1,-1): if data.snaps[i].tselect: print "%d atoms of %d selected in last step %d" % \ (data.snaps[i].nselect,data.snaps[i].natoms,data.snaps[i].time) break else: # one timestep n = data.findtime(args[0]) snap = data.snaps[n] for i in xrange(snap.natoms): if not snap.aselect[i]: continue exec ccmd if not flag: snap.aselect[i] = 0 snap.nselect -= 1
40,308
31.771545
79
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/pdbfile.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # pdb tool oneline = "Read, write PDB files in combo with LAMMPS snapshots" docstr = """ p = pdbfile("3CRO") create pdb object from PDB file or WWW p = pdbfile("pep1 pep2") read in multiple PDB files p = pdbfile("pep*") can use wildcards p = pdbfile(d) read in snapshot data with no PDB file p = pdbfile("3CRO",d) read in single PDB file with snapshot data string arg contains one or more PDB files don't need .pdb suffix except wildcard must expand to file.pdb if only one 4-char file specified and it is not found, it will be downloaded from http://www.rcsb.org as 3CRO.pdb d arg is object with atom coordinates (dump, data) p.one() write all output as one big PDB file to tmp.pdb p.one("mine") write to mine.pdb p.many() write one PDB file per snapshot: tmp0000.pdb, ... p.many("mine") write as mine0000.pdb, mine0001.pdb, ... p.single(N) write timestamp N as tmp.pdb p.single(N,"new") write as new.pdb how new PDB files are created depends on constructor inputs: if no d: one new PDB file for each file in string arg (just a copy) if only d specified: one new PDB file per snapshot in generic format if one file in str arg and d: one new PDB file per snapshot using input PDB file as template multiple input PDB files with a d is not allowed index,time,flag = p.iterator(0) index,time,flag = p.iterator(1) iterator = loop over number of PDB files call first time with arg = 0, thereafter with arg = 1 N = length = # of snapshots or # of input PDB files index = index of snapshot or input PDB file (0 to N-1) time = timestep value (time stamp for snapshot, index for multiple PDB) flag = -1 when iteration is done, 1 otherwise typically call p.single(time) in iterated loop to write out one PDB file """ # History # 8/05, Steve Plimpton (SNL): original version # ToDo list # for generic PDB file (no template) from a LJ unit system, # the atoms in PDB file are too close together # Variables # files = list of input PDB files # data = data object (ccell,data,dump) to read snapshots from # atomlines = dict of ATOM lines in original PDB file # key = atom id, value = tuple of (beginning,end) of line # Imports and external programs import sys, types, glob, urllib # Class definition class pdbfile: # -------------------------------------------------------------------- def __init__(self,*args): if len(args) == 1: if type(args[0]) is types.StringType: filestr = args[0] self.data = None else: filestr = None self.data = args[0] elif len(args) == 2: filestr = args[0] self.data = args[1] else: raise StandardError, "invalid args for pdb()" # flist = full list of all PDB input file names # append .pdb if needed if filestr: list = filestr.split() flist = [] for file in list: if '*' in file: flist += glob.glob(file) else: flist.append(file) for i in xrange(len(flist)): if flist[i][-4:] != ".pdb": flist[i] += ".pdb" if len(flist) == 0: raise StandardError,"no PDB file specified" self.files = flist else: self.files = [] if len(self.files) > 1 and self.data: raise StandardError, "cannot use multiple PDB files with data object" if len(self.files) == 0 and not self.data: raise StandardError, "no input PDB file(s)" # grab PDB file from http://rcsb.org if not a local file if len(self.files) == 1 and len(self.files[0]) == 8: try: open(self.files[0],'r').close() except: print "downloading %s from http://rcsb.org" % self.files[0] fetchstr = "http://www.rcsb.org/pdb/cgi/export.cgi/%s?format=PDB&pdbId=2cpk&compression=None" % self.files[0] urllib.urlretrieve(fetchstr,self.files[0]) if self.data and len(self.files): self.read_template(self.files[0]) # -------------------------------------------------------------------- # write a single large PDB file for concatenating all input data or files # if data exists: # only selected atoms returned by extract # atoms written in order they appear in snapshot # atom only written if its tag is in PDB template file # if no data: # concatenate all input files to one output file def one(self,*args): if len(args) == 0: file = "tmp.pdb" elif args[0][-4:] == ".pdb": file = args[0] else: file = args[0] + ".pdb" f = open(file,'w') # use template PDB file with each snapshot if self.data: n = flag = 0 while 1: which,time,flag = self.data.iterator(flag) if flag == -1: break self.convert(f,which) print >>f,"END" print time, sys.stdout.flush() n += 1 else: for file in self.files: f.write(open(file,'r').read()) print >>f,"END" print file, sys.stdout.flush() f.close() print "\nwrote %d datasets to %s in PDB format" % (n,file) # -------------------------------------------------------------------- # write series of numbered PDB files # if data exists: # only selected atoms returned by extract # atoms written in order they appear in snapshot # atom only written if its tag is in PDB template file # if no data: # just copy all input files to output files def many(self,*args): if len(args) == 0: root = "tmp" else: root = args[0] if self.data: n = flag = 0 while 1: which,time,flag = self.data.iterator(flag) if flag == -1: break if n < 10: file = root + "000" + str(n) elif n < 100: file = root + "00" + str(n) elif n < 1000: file = root + "0" + str(n) else: file = root + str(n) file += ".pdb" f = open(file,'w') self.convert(f,which) f.close() print time, sys.stdout.flush() n += 1 else: n = 0 for infile in self.files: if n < 10: file = root + "000" + str(n) elif n < 100: file = root + "00" + str(n) elif n < 1000: file = root + "0" + str(n) else: file = root + str(n) file += ".pdb" f = open(file,'w') f.write(open(infile,'r').read()) f.close() print file, sys.stdout.flush() n += 1 print "\nwrote %d datasets to %s*.pdb in PDB format" % (n,root) # -------------------------------------------------------------------- # write a single PDB file # if data exists: # time is timestamp in snapshot # only selected atoms returned by extract # atoms written in order they appear in snapshot # atom only written if its tag is in PDB template file # if no data: # time is index into list of input PDB files # just copy one input file to output file def single(self,time,*args): if len(args) == 0: file = "tmp.pdb" elif args[0][-4:] == ".pdb": file = args[0] else: file = args[0] + ".pdb" f = open(file,'w') if self.data: which = self.data.findtime(time) self.convert(f,which) else: f.write(open(self.files[time],'r').read()) f.close() # -------------------------------------------------------------------- # iterate over list of input files or selected snapshots # latter is done via data objects iterator def iterator(self,flag): if not self.data: if not flag: self.iterate = 0 else: self.iterate += 1 if self.iterate > len(self.files): return 0,0,-1 return self.iterate,self.iterate,1 return self.data.iterator(flag) # -------------------------------------------------------------------- # read a PDB file and store ATOM lines def read_template(self,file): lines = open(file,'r').readlines() self.atomlines = {} for line in lines: if line.find("ATOM") == 0: tag = int(line[4:11]) begin = line[:30] end = line[54:] self.atomlines[tag] = (begin,end) # -------------------------------------------------------------------- # convert one set of atoms to PDB format and write to f def convert(self,f,which): time,box,atoms,bonds,tris,lines = self.data.viz(which) if len(self.files): for atom in atoms: id = atom[0] if self.atomlines.has_key(id): (begin,end) = self.atomlines[id] line = "%s%8.3f%8.3f%8.3f%s" % (begin,atom[2],atom[3],atom[4],end) print >>f,line, else: for atom in atoms: begin = "ATOM %6d %2d R00 1 " % (atom[0],atom[1]) middle = "%8.3f%8.3f%8.3f" % (atom[2],atom[3],atom[4]) end = " 1.00 0.00 NONE" print >>f,begin+middle+end
9,342
31.217241
117
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/vmd.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # vmd tool # Minimalistic VMD embedding for Pizza.py # (c) 2010 Axel Kohlmeyer <akohlmey@gmail.com> # This class will replace the VMD startup script, # open a pipe to the executable, # and feed it Tcl command lines one at a time oneline = "Control VMD from python" docstr = """ v = vmd() start up VMD v.stop() shut down VMD instance v.clear() delete all visualizations v.rep(style) set default representation style. One of (Lines|VDW|Licorice|DynamicBonds|Points|CPK) v.new(file[,type]) load new file (default file type 'lammpstrj') v.data(file[,atomstyle]) load new data file (default atom style 'full') v.replace(file[,type]) replace current frames with new file v.append(file[,type]) append file to current frame(s) v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame v.frame(frame) set current frame v.flush() flush pending input to VMD and update GUI v.read(file) read Tcl script file (e.g. saved state) v.enter() enter interactive shell v.debug([True|False]) display generated VMD script commands? """ # History # 11/10, Axel Kohlmeyer (Temple U): original version # Imports and external programs import types, os import numpy try: from DEFAULTS import PIZZA_VMDNAME except: PIZZA_VMDNAME = "vmd" try: from DEFAULTS import PIZZA_VMDDIR except: PIZZA_VMDDIR = "/usr/local/lib/vmd" try: from DEFAULTS import PIZZA_VMDDEV except: PIZZA_VMDDEV = "win" try: from DEFAULTS import PIZZA_VMDARCH except: PIZZA_VMDARCH = "LINUX" # try these settings for a Mac #PIZZA_VMDNAME = "vmd" #PIZZA_VMDDIR = "/Applications/VMD\ 1.8.7.app/Contents/vmd" #PIZZA_VMDDEV = "win" #PIZZA_VMDARCH = "MACOSXX86" try: import pexpect except: print "pexpect from http://pypi.python.org/pypi/pexpect", \ "is required for vmd tool" raise # Class definition class vmd: # -------------------------------------------------------------------- def __init__(self): self.vmddir = PIZZA_VMDDIR self.vmdexe = PIZZA_VMDDIR + '/' + PIZZA_VMDNAME + '_' + PIZZA_VMDARCH # these are all defaults copied from the vmd launch script os.environ['VMDDIR'] = PIZZA_VMDDIR os.environ['VMDDISPLAYDEVICE'] = PIZZA_VMDDEV os.environ['VMDSCRPOS'] = "596 190" os.environ['VMDSCRSIZE'] = "669 834" os.environ['VMDSCRHEIGHT'] = "6.0" os.environ['VMDSCRDIST'] = "-2.0" os.environ['VMDTITLE'] = "on" os.environ['TCL_LIBRARY'] = PIZZA_VMDDIR + "/scripts/tcl" os.environ['STRIDE_BIN'] = PIZZA_VMDDIR + "/stride_" + PIZZA_VMDARCH os.environ['SURF_BIN'] = PIZZA_VMDDIR + "/surf_" + PIZZA_VMDARCH os.environ['TACHYON_BIN'] = PIZZA_VMDDIR + "/tachyon_" + PIZZA_VMDARCH ldpath = os.environ.get('LD_LIBRARY_PATH','') if ldpath == '': os.environ['LD_LIBRARY_PATH'] = PIZZA_VMDDIR else: os.environ['LD_LIBRARY_PATH'] = ldpath + ':' + PIZZA_VMDDIR ldpath = os.environ.get('LD_LIBRARY_PATH','') if ldpath == '': os.environ['PYTHONPATH'] = PIZZA_VMDDIR else: os.environ['PYTHONPATH'] = PIZZA_VMDDIR + "/scripts/python" self.debugme = False # open pipe to vmd and wait until we have a prompt self.VMD = pexpect.spawn(self.vmdexe) self.VMD.expect('vmd >') # -------------------------------------------------------------------- # post command to vmd and wait until the prompt returns. def __call__(self,command): if self.VMD.isalive(): self.VMD.sendline(command) self.VMD.expect('vmd >') if self.debugme: print "call+result:"+self.VMD.before return # -------------------------------------------------------------------- # exit VMD def stop(self): self.__call__("quit") del self.VMD # -------------------------------------------------------------------- # force VMD display and GUI update. def flush(self): self.__call__('display update ui') # -------------------------------------------------------------------- # turn on debugging info def debug(self,status=True): if status and not self.debugme: print 'Turning vmd.py debugging ON.' if not status and self.debugme: print 'Turning vmd.py debugging OFF.' self.debugme = status # -------------------------------------------------------------------- # emulate a regular tcl command prompt def enter(self,mode='tcl'): self.__call__('menu main off') self.__call__('menu main on') while 1: try: command = raw_input("vmd > ") except EOFError: print "(EOF)" self.__call__('menu main off') return if command == "quit" or command == "exit": self.__call__('menu main off') return if command == "gopython": print "gopython not supported here" continue self.__call__(command) # -------------------------------------------------------------------- # read and execute tcl script file (e.g. a saved state) def read(self,filename): self.__call__('play ' + filename) self.flush() # -------------------------------------------------------------------- # remove all molecules, data and visualizations def clear(self): self.__call__("mol delete all") # -------------------------------------------------------------------- # navigate to a given frame def rep(self,style='Lines'): if style == 'Lines' or style == 'VDW' or style == 'Licorice' \ or style == 'DynamicBonds' or style == 'Points' or style == 'CPK': self.__call__('mol default style ' + style) # -------------------------------------------------------------------- # navigate to a given frame def frame(self,framespec): self.__call__('animate goto ' + str(framespec)) # -------------------------------------------------------------------- # load a new molecule from a file supported by a molfile plugin def new(self,filename,filetype='lammpstrj'): self.__call__('mol new ' + filename + ' type ' + filetype + ' waitfor all') self.flush() # -------------------------------------------------------------------- # load a new molecule from a data file via the topotools plugin def data(self,filename,atomstyle='full'): self.__call__('package require topotools 1.0') self.__call__('topo readlammpsdata ' + filename + ' ' + atomstyle) self.flush() # -------------------------------------------------------------------- # append all frames from a given file to the current molecule def append(self,filename,filetype='lammpstrj'): self.__call__('set tmol [molinfo top]') self.__call__('array set viewpoints {}') self.__call__('foreach mol [molinfo list] { set viewpoints($mol) [molinfo $mol get { center_matrix rotate_matrix scale_matrix global_matrix}]}') self.__call__('mol addfile ' + filename + ' mol $tmol type ' + filetype + ' waitfor all') self.__call__('foreach mol [molinfo list] { molinfo $mol set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpoints($mol)}') self.flush() # -------------------------------------------------------------------- # replace all frames of a molecule with those from a given file def update(self,filename,filetype='lammpstrj'): self.__call__('set tmol [molinfo top]') self.__call__('array set viewpoints {}') self.__call__('foreach mol [molinfo list] {set viewpoints($mol) [molinfo $mol get { center_matrix rotate_matrix scale_matrix global_matrix}]}') self.__call__('animate delete all $tmol') self.__call__('mol addfile ' + filename + ' mol $tmol type ' + filetype + ' waitfor all') self.__call__('foreach mol [molinfo list] {molinfo $mol set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpoints($mol)}') self.flush() # -------------------------------------------------------------------- # add or overwrite coordinates with coordinates in a snapshot def set(self,snap,x,y,z,append=True): self.__call__('set vmdsel [atomselect top all]') if append: self.__call__('animate dup [molinfo top]') cmd = '$vmdsel set {x y z} {' for idx in range(0,snap.natoms): cmd += ' {'+str(snap[idx,x])+' '+str(snap[idx,y])+' '+str(snap[idx,z])+'}' cmd += '}' self.__call__(cmd) self.__call__('$vmdsel delete ; unset vmdsel') self.flush()
8,758
38.102679
148
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/vizinfo.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # vizinfo class, not a top-level Pizza.py tool # History # 8/05, Matt Jones (BYU): original version # 9/05, Steve Plimpton: added 140-color table # ToDo list # Variables # Imports and external programs import types # Class definition class vizinfo: """ Information holder for Pizza.py visualization tools acolor,bcolor,tcolor,lcolor = RGB values for each atom/bond/tri/line type arad = radius of each atom type brad,lrad = thickness of each bond/line type tfill = fill flag for each triangle type all of these arrays are indexed by object type which runs 1-Ntype nacolor,nbcolor,ntcolor,nlcolor,narad,nbrad,nlrad,ntfill are # of types each array holds actual length is nacolor+1 so that array can be indexed by 1-Ntype setcolors() = set atom/bond/tri/line colors setradii() = set atom/bond/line radii/thickness setfill() = set triangle fill factor extend() = grow an array """ # -------------------------------------------------------------------- def __init__(self): self.acolor = [] self.arad = [] self.bcolor = [] self.brad = [] self.tcolor = [] self.tfill = [] self.lcolor = [] self.lrad = [] self.nacolor = self.narad = 0 self.nbcolor = self.nbrad = 0 self.ntcolor = self.ntfill = 0 self.nlcolor = self.nlrad = 0 # -------------------------------------------------------------------- # set color RGB for which = atoms, bonds, triangles def setcolors(self,which,ids,rgbs): # convert args into lists if single values # if arg = 0, convert to full-range list if type(ids) is types.IntType and ids == 0: if which == "atom": ids = range(self.nacolor) if which == "bond": ids = range(self.nbcolor) if which == "tri": ids = range(self.ntcolor) if which == "line": ids = range(self.nlcolor) if type(ids) is not types.ListType and type(ids) is not types.TupleType: ids = [ids] if type(rgbs) is not types.ListType and type(rgbs) is not types.TupleType: rgbs = [rgbs] # if list of types has a 0, increment each type value if 0 in ids: for i in xrange(len(ids)): ids[i] += 1 # extend storage list if necessary # extend other arrays for same "which" so that gl::make_atom_calllist # has valid arrays to work with if which == "atom": if max(ids) > self.nacolor: self.nacolor = self.extend(self.acolor,max(ids)) self.nacolor = self.extend(self.arad,max(ids)) if which == "bond": if max(ids) > self.nbcolor: self.nbcolor = self.extend(self.bcolor,max(ids)) self.nbcolor = self.extend(self.brad,max(ids)) if which == "tri": if max(ids) > self.ntcolor: self.ntcolor = self.extend(self.tcolor,max(ids)) self.ntcolor = self.extend(self.tfill,max(ids)) if which == "line": if max(ids) > self.nlcolor: self.nlcolor = self.extend(self.lcolor,max(ids)) self.nlcolor = self.extend(self.lrad,max(ids)) # set color for each type # if list lengths match, set directly, else interpolate # convert final color from 0-255 to 0.0-1.0 ntypes = len(ids) nrgbs = len(rgbs) for i in xrange(ntypes): id = ids[i] if rgbs[0] == "loop": list = colors.keys() red,green,blue = colors[list[i % len(colors)]] elif ntypes == nrgbs: red,green,blue = colors[rgbs[i]] else: r = i/float(ntypes-1) * float(nrgbs-1) jlo = int(r) jhi = jlo + 1 if jhi == nrgbs: jhi = nrgbs - 1 clo = colors[rgbs[jlo]] chi = colors[rgbs[jhi]] delta = r - jlo red = clo[0] + delta*(chi[0]-clo[0]) green = clo[1] + delta*(chi[1]-clo[1]) blue = clo[2] + delta*(chi[2]-clo[2]) color = [red/255.0,green/255.0,blue/255.0] if which == "atom": self.acolor[id] = color if which == "bond": self.bcolor[id] = color if which == "tri": self.tcolor[id] = color if which == "line": self.lcolor[id] = color # -------------------------------------------------------------------- # set radii for which = atoms, bonds, lines def setradii(self,which,ids,radii): # convert args into lists if single values # if arg = 0, convert to full-range list if type(ids) is types.IntType and ids == 0: if which == "atom": ids = range(self.narad) if which == "bond": ids = range(self.nbrad) if which == "line": ids = range(self.nlrad) if type(ids) is not types.ListType and type(ids) is not types.TupleType: ids = [ids] if type(radii) is not types.ListType and \ type(radii) is not types.TupleType: radii = [radii] # if list of types has a 0, increment each type value if 0 in ids: for i in xrange(len(ids)): ids[i] += 1 # extend storage list if necessary # extend other arrays for same "which" so that gl::make_atom_calllist # has valid arrays to work with if which == "atom": if max(ids) > self.narad: self.narad = self.extend(self.arad,max(ids)) self.narad = self.extend(self.acolor,max(ids)) if which == "bond": if max(ids) > self.nbrad: self.nbrad = self.extend(self.brad,max(ids)) self.nbrad = self.extend(self.bcolor,max(ids)) if which == "line": if max(ids) > self.nlrad: self.nlrad = self.extend(self.lrad,max(ids)) self.nlrad = self.extend(self.lcolor,max(ids)) # set radius for each type # if list lengths match, set directly, else interpolate ntypes = len(ids) nradii = len(radii) for i in range(ntypes): id = ids[i] if ntypes == nradii: rad = radii[i] else: r = i/float(ntypes-1) * float(nradii-1) jlo = int(r) jhi = jlo + 1 if jhi == nradii: jhi = nradii - 1 rlo = radii[jlo] rhi = radii[jhi] delta = r - jlo rad = rlo + delta*(rhi-rlo) if which == "atom": self.arad[id] = rad if which == "bond": self.brad[id] = rad if which == "line": self.lrad[id] = rad # -------------------------------------------------------------------- # set triangle fill style # 0 = fill only, 1 = line only, 2 = fill and line def setfills(self,which,ids,fills): # convert args into lists if single values # if arg = 0, convert to full-range list if type(ids) is types.IntType and ids == 0: ids = range(self.ntfill) if type(ids) is not types.ListType and type(ids) is not types.TupleType: ids = [ids] if type(fills) is not types.ListType and \ type(fills) is not types.TupleType: fills = [fills] # if list of types has a 0, increment each type value if 0 in ids: for i in xrange(len(ids)): ids[i] += 1 # extend storage list if necessary # extend other arrays for same "which" so that gl::make_atom_calllist # has valid arrays to work with if max(ids) > self.ntfill: self.ntfill = self.extend(self.tfill,max(ids)) self.ntfill = self.extend(self.tcolor,max(ids)) # set fill flag for each type # if list lengths match, set directly, else set types to 1st fill value if len(fills) == len(ids): for i in xrange(len(ids)): self.tfill[ids[i]] = int(fills[i]) else: for id in ids: self.tfill[id] = int(fills[0]) # -------------------------------------------------------------------- def extend(self,array,n): for i in range(n-len(array)+1): array.append(0) return n # -------------------------------------------------------------------- # dictionary of 140 color names and associated RGB values colors = {} colors["aliceblue"] = [240, 248, 255] colors["antiquewhite"] = [250, 235, 215] colors["aqua"] = [0, 255, 255] colors["aquamarine"] = [127, 255, 212] colors["azure"] = [240, 255, 255] colors["beige"] = [245, 245, 220] colors["bisque"] = [255, 228, 196] colors["black"] = [0, 0, 0] colors["blanchedalmond"] = [255, 255, 205] colors["blue"] = [0, 0, 255] colors["blueviolet"] = [138, 43, 226] colors["brown"] = [165, 42, 42] colors["burlywood"] = [222, 184, 135] colors["cadetblue"] = [95, 158, 160] colors["chartreuse"] = [127, 255, 0] colors["chocolate"] = [210, 105, 30] colors["coral"] = [255, 127, 80] colors["cornflowerblue"] = [100, 149, 237] colors["cornsilk"] = [255, 248, 220] colors["crimson"] = [220, 20, 60] colors["cyan"] = [0, 255, 255] colors["darkblue"] = [0, 0, 139] colors["darkcyan"] = [0, 139, 139] colors["darkgoldenrod"] = [184, 134, 11] colors["darkgray"] = [169, 169, 169] colors["darkgreen"] = [0, 100, 0] colors["darkkhaki"] = [189, 183, 107] colors["darkmagenta"] = [139, 0, 139] colors["darkolivegreen"] = [85, 107, 47] colors["darkorange"] = [255, 140, 0] colors["darkorchid"] = [153, 50, 204] colors["darkred"] = [139, 0, 0] colors["darksalmon"] = [233, 150, 122] colors["darkseagreen"] = [143, 188, 143] colors["darkslateblue"] = [72, 61, 139] colors["darkslategray"] = [47, 79, 79] colors["darkturquoise"] = [0, 206, 209] colors["darkviolet"] = [148, 0, 211] colors["deeppink"] = [255, 20, 147] colors["deepskyblue"] = [0, 191, 255] colors["dimgray"] = [105, 105, 105] colors["dodgerblue"] = [30, 144, 255] colors["firebrick"] = [178, 34, 34] colors["floralwhite"] = [255, 250, 240] colors["forestgreen"] = [34, 139, 34] colors["fuchsia"] = [255, 0, 255] colors["gainsboro"] = [220, 220, 220] colors["ghostwhite"] = [248, 248, 255] colors["gold"] = [255, 215, 0] colors["goldenrod"] = [218, 165, 32] colors["gray"] = [128, 128, 128] colors["green"] = [0, 128, 0] colors["greenyellow"] = [173, 255, 47] colors["honeydew"] = [240, 255, 240] colors["hotpink"] = [255, 105, 180] colors["indianred"] = [205, 92, 92] colors["indigo"] = [75, 0, 130] colors["ivory"] = [255, 240, 240] colors["khaki"] = [240, 230, 140] colors["lavender"] = [230, 230, 250] colors["lavenderblush"] = [255, 240, 245] colors["lawngreen"] = [124, 252, 0] colors["lemonchiffon"] = [255, 250, 205] colors["lightblue"] = [173, 216, 230] colors["lightcoral"] = [240, 128, 128] colors["lightcyan"] = [224, 255, 255] colors["lightgoldenrodyellow"] = [250, 250, 210] colors["lightgreen"] = [144, 238, 144] colors["lightgrey"] = [211, 211, 211] colors["lightpink"] = [255, 182, 193] colors["lightsalmon"] = [255, 160, 122] colors["lightseagreen"] = [32, 178, 170] colors["lightskyblue"] = [135, 206, 250] colors["lightslategray"] = [119, 136, 153] colors["lightsteelblue"] = [176, 196, 222] colors["lightyellow"] = [255, 255, 224] colors["lime"] = [0, 255, 0] colors["limegreen"] = [50, 205, 50] colors["linen"] = [250, 240, 230] colors["magenta"] = [255, 0, 255] colors["maroon"] = [128, 0, 0] colors["mediumaquamarine"] = [102, 205, 170] colors["mediumblue"] = [0, 0, 205] colors["mediumorchid"] = [186, 85, 211] colors["mediumpurple"] = [147, 112, 219] colors["mediumseagreen"] = [60, 179, 113] colors["mediumslateblue"] = [123, 104, 238] colors["mediumspringgreen"] = [0, 250, 154] colors["mediumturquoise"] = [72, 209, 204] colors["mediumvioletred"] = [199, 21, 133] colors["midnightblue"] = [25, 25, 112] colors["mintcream"] = [245, 255, 250] colors["mistyrose"] = [255, 228, 225] colors["moccasin"] = [255, 228, 181] colors["navajowhite"] = [255, 222, 173] colors["navy"] = [0, 0, 128] colors["oldlace"] = [253, 245, 230] colors["olive"] = [128, 128, 0] colors["olivedrab"] = [107, 142, 35] colors["orange"] = [255, 165, 0] colors["orangered"] = [255, 69, 0] colors["orchid"] = [218, 112, 214] colors["palegoldenrod"] = [238, 232, 170] colors["palegreen"] = [152, 251, 152] colors["paleturquoise"] = [175, 238, 238] colors["palevioletred"] = [219, 112, 147] colors["papayawhip"] = [255, 239, 213] colors["peachpuff"] = [255, 239, 213] colors["peru"] = [205, 133, 63] colors["pink"] = [255, 192, 203] colors["plum"] = [221, 160, 221] colors["powderblue"] = [176, 224, 230] colors["purple"] = [128, 0, 128] colors["red"] = [255, 0, 0] colors["rosybrown"] = [188, 143, 143] colors["royalblue"] = [65, 105, 225] colors["saddlebrown"] = [139, 69, 19] colors["salmon"] = [250, 128, 114] colors["sandybrown"] = [244, 164, 96] colors["seagreen"] = [46, 139, 87] colors["seashell"] = [255, 245, 238] colors["sienna"] = [160, 82, 45] colors["silver"] = [192, 192, 192] colors["skyblue"] = [135, 206, 235] colors["slateblue"] = [106, 90, 205] colors["slategray"] = [112, 128, 144] colors["snow"] = [255, 250, 250] colors["springgreen"] = [0, 255, 127] colors["steelblue"] = [70, 130, 180] colors["tan"] = [210, 180, 140] colors["teal"] = [0, 128, 128] colors["thistle"] = [216, 191, 216] colors["tomato"] = [253, 99, 71] colors["turquoise"] = [64, 224, 208] colors["violet"] = [238, 130, 238] colors["wheat"] = [245, 222, 179] colors["white"] = [255, 255, 255] colors["whitesmoke"] = [245, 245, 245] colors["yellow"] = [255, 255, 0] colors["yellowgreen"] = [154, 205, 50]
13,236
32.767857
78
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/python/examples/pizza/gl.py
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html # Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories # # Copyright (2005) Sandia Corporation. Under the terms of Contract # DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains # certain rights in this software. This software is distributed under # the GNU General Public License. # gl tool oneline = "3d interactive visualization via OpenGL" docstr = """ g = gl(d) create OpenGL display for data in d d = atom snapshot object (dump, data) g.bg("black") set background color (def = "black") g.size(N) set image size to NxN g.size(N,M) set image size to NxM g.rotate(60,135) view from z theta and azimuthal phi (def = 60,30) g.shift(x,y) translate by x,y pixels in view window (def = 0,0) g.zoom(0.5) scale image by factor (def = 1) g.box(0/1/2) 0/1/2 = none/variable/fixed box g.box(0/1/2,"green") set box color g.box(0/1/2,"red",4) set box edge thickness g.file = "image" file prefix for created images (def = "image") g.show(N) show image of snapshot at timestep N g.all() make images of all selected snapshots g.all(P) images of all, start file label at P g.all(N,M,P) make M images of snapshot N, start label at P g.pan(60,135,1.0,40,135,1.5) pan during all() operation g.pan() no pan during all() (default) args = z theta, azimuthal phi, zoom factor at beginning and end values at each step are interpolated between beginning and end values g.select = "$x > %g*3.0" string to pass to d.aselect.test() during all() g.select = "" no extra aselect (default) %g varies from 0.0 to 1.0 from beginning to end of all() g.acol(2,"green") set atom colors by atom type (1-N) g.acol([2,4],["red","blue"]) 1st arg = one type or list of types g.acol(0,"blue") 2nd arg = one color or list of colors g.acol(range(20),["red","blue"]) if list lengths unequal, interpolate g.acol(range(10),"loop") assign colors in loop, randomly ordered if 1st arg is 0, set all types to 2nd arg if list of types has a 0 (e.g. range(10)), +1 is added to each value interpolate means colors blend smoothly from one value to the next g.arad([1,2],[0.5,0.3]) set atom radii, same rules as acol() g.bcol() set bond color, same args as acol() g.brad() set bond thickness, same args as arad() g.tcol() set triangle color, same args as acol() g.tfill() set triangle fill, 0 fill, 1 line, 2 both g.lcol() set line color, same args as acol() g.lrad() set line thickness, same args as arad() g.adef() set atom/bond/tri/line properties to default g.bdef() default = "loop" for colors, 0.45 for radii g.tdef() default = 0.25 for bond/line thickness g.ldef() default = 0 fill by default 100 types are assigned if atom/bond/tri/line has type > # defined properties, is an error from vizinfo import colors access color list print colors list defined color names and RGB values colors["nickname"] = [R,G,B] set new RGB values from 0 to 255 140 pre-defined colors: red, green, blue, purple, yellow, black, white, etc Settings specific to gl tool: g.q(10) set quality of image (def = 5) g.axis(0/1) turn xyz axes off/on g.ortho(0/1) perspective (0) vs orthographic (1) view g.clip('xlo',0.25) clip in xyz from lo/hi at box fraction (0-1) g.reload() force all data to be reloaded g.cache = 0/1 turn off/on GL cache lists (def = on) theta,phi,x,y,scale,up = g.gview() grab all current view parameters g.sview(theta,phi,x,y,scale,up) set all view parameters data reload is necessary if dump selection is used to change the data cache lists usually improve graphics performance gview returns values to use in other commands: theta,phi are args to rotate() x,y are args to shift() scale is arg to zoom() up is a 3-vector arg to sview() """ # History # 9/05, Steve Plimpton (SNL): original version # ToDo list # when do aselect with select str while looping N times on same timestep # would not let you grow # of atoms selected # Variables # ztheta = vertical angle from z-azis of viewpoint # azphi = azimuthal angle of viewpoint # xshift,yshift = xy translation of scene (in pixels) # distance = size of simulation box (largest dim) # eye = viewpoint distance from center of scene # file = filename prefix to use for images produced # boxflag = 0/1/2 for drawing simulation box: none/variable/fixed # bxcol = color of box # bxthick = thickness of box lines # bgcol = color of background # vizinfo = scene attributes # center[3] = center point of simulation box # view[3] = direction towards eye in simulation box (unit vector) # up[3] = screen up direction in simulation box (unit vector) # right[3] = screen right direction in simulation box (unit vector) # Imports and external programs from math import sin,cos,sqrt,pi,acos from OpenGL.Tk import * from OpenGL.GLUT import * import Image from vizinfo import vizinfo # Class definition class gl: # -------------------------------------------------------------------- def __init__(self,data): self.data = data self.root = None self.xpixels = 512 self.ypixels = 512 self.ztheta = 60 self.azphi = 30 self.scale = 1.0 self.xshift = self.yshift = 0 self.file = "image" self.boxflag = 0 self.bxcol = [1,1,0] self.bxthick = 0.3 self.bgcol = [0,0,0] self.labels = [] self.panflag = 0 self.select = "" self.axisflag = 0 self.orthoflag = 1 self.nslices = 5 self.nstacks = 5 self.nsides = 10 self.theta_amplify = 2 self.shiny = 2 self.clipflag = 0 self.clipxlo = self.clipylo = self.clipzlo = 0.0 self.clipxhi = self.clipyhi = self.clipzhi = 1.0 self.nclist = 0 self.calllist = [0] # indexed by 1-Ntype, so start with 0 index self.cache = 1 self.cachelist = 0 self.boxdraw = [] self.atomdraw = [] self.bonddraw = [] self.tridraw = [] self.linedraw = [] self.ready = 0 self.create_window() self.vizinfo = vizinfo() self.adef() self.bdef() self.tdef() self.ldef() self.center = 3*[0] self.view = 3*[0] self.up = 3*[0] self.right = 3*[0] self.viewupright() # -------------------------------------------------------------------- def bg(self,color): from vizinfo import colors self.bgcol = [colors[color][0]/255.0,colors[color][1]/255.0, colors[color][2]/255.0] self.w.tkRedraw() # -------------------------------------------------------------------- def size(self,xnew,ynew=None): self.xpixels = xnew if not ynew: self.ypixels = self.xpixels else: self.ypixels = ynew self.create_window() # -------------------------------------------------------------------- def axis(self,value): self.axisflag = value self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def create_window(self): if self.root: self.root.destroy() from __main__ import tkroot self.root = Toplevel(tkroot) self.root.title('Pizza.py gl tool') self.w = MyOpengl(self.root,width=self.xpixels,height=self.ypixels, double=1,depth=1) self.w.pack(expand=YES) # self.w.pack(expand=YES,fill=BOTH) glViewport(0,0,self.xpixels,self.ypixels) glEnable(GL_LIGHTING); glEnable(GL_LIGHT0); glEnable(GL_DEPTH_TEST); glLightModeli(GL_LIGHT_MODEL_TWO_SIDE,GL_TRUE); glPolygonMode(GL_FRONT_AND_BACK,GL_FILL) self.rtrack = self.xpixels if self.ypixels > self.xpixels: self.rtrack = self.ypixels self.w.redraw = self.redraw self.w.parent = self self.w.tkRedraw() tkroot.update_idletasks() # force window to appear # -------------------------------------------------------------------- def clip(self,which,value): if which == "xlo": self.clipxlo = value if value > self.clipxhi: self.clipxlo = self.clipxhi elif which == "xhi": self.clipxhi = value if value < self.clipxlo: self.clipxhi = self.clipxlo elif which == "ylo": self.clipylo = value if value > self.clipyhi: self.clipylo = self.clipyhi elif which == "yhi": self.clipyhi = value if value < self.clipylo: self.clipyhi = self.clipylo elif which == "zlo": self.clipzlo = value if value > self.clipzhi: self.clipzlo = self.clipzhi elif which == "zhi": self.clipzhi = value if value < self.clipzlo: self.clipzhi = self.clipzlo oldflag = self.clipflag if self.clipxlo > 0 or self.clipylo > 0 or self.clipzlo > 0 or \ self.clipxhi < 1 or self.clipyhi < 1 or self.clipzhi < 1: self.clipflag = 1 else: self.clipflag = 0 if oldflag == 0 and self.clipflag == 0: return self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def q(self,value): self.nslices = value self.nstacks = value self.make_atom_calllist() self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def ortho(self,value): self.orthoflag = value self.w.tkRedraw() # -------------------------------------------------------------------- # set unit vectors for view,up,right from ztheta,azphi # assume +z in scene should be up on screen (unless looking down z-axis) # right = up x view def viewupright(self): self.view[0] = cos(pi*self.azphi/180) * sin(pi*self.ztheta/180) self.view[1] = sin(pi*self.azphi/180) * sin(pi*self.ztheta/180) self.view[2] = cos(pi*self.ztheta/180) if self.ztheta == 0.0: self.up[0] = cos(pi*self.azphi/180) self.up[1] = -sin(pi*self.azphi/180) self.up[2] = 0.0 elif self.ztheta == 180.0: self.up[0] = cos(pi*self.azphi/180) self.up[1] = sin(pi*self.azphi/180) self.up[2] = 0.0 else: dot = self.view[2] # dot = (0,0,1) . view self.up[0] = -dot*self.view[0] # up projected onto v = dot * v self.up[1] = -dot*self.view[1] # up perp to v = up - dot * v self.up[2] = 1.0 - dot*self.view[2] self.up = vecnorm(self.up) self.right = veccross(self.up,self.view) # -------------------------------------------------------------------- # reset ztheta,azphi and thus view,up.right # called as function from Pizza.py def rotate(self,ztheta,azphi): self.ztheta = ztheta self.azphi = azphi self.viewupright() self.setview() self.w.tkRedraw() # -------------------------------------------------------------------- # return all view params to reproduce current display via sview() def gview(self): return self.ztheta,self.azphi,self.xshift,self.yshift,self.scale,self.up # -------------------------------------------------------------------- # set current view, called by user with full set of view params # up is not settable via any other call, all other params are def sview(self,ztheta,azphi,xshift,yshift,scale,up): self.ztheta = ztheta self.azphi = azphi self.xshift = xshift self.yshift = yshift self.scale = scale self.up[0] = up[0] self.up[1] = up[1] self.up[2] = up[2] self.up = vecnorm(self.up) self.view[0] = cos(pi*self.azphi/180) * sin(pi*self.ztheta/180) self.view[1] = sin(pi*self.azphi/180) * sin(pi*self.ztheta/180) self.view[2] = cos(pi*self.ztheta/180) self.right = veccross(self.up,self.view) self.setview() self.w.tkRedraw() # -------------------------------------------------------------------- # rotation triggered by mouse trackball # project old,new onto unit trackball surf # rotate view,up around axis of rotation = old x new # right = up x view # reset ztheta,azphi from view def mouse_rotate(self,xnew,ynew,xold,yold): # change y pixels to measure from bottom of window instead of top yold = self.ypixels - yold ynew = self.ypixels - ynew # vold = unit vector to (xold,yold) projected onto trackball # vnew = unit vector to (xnew,ynew) projected onto trackball # return (no rotation) if either projection point is outside rtrack vold = [0,0,0] vold[0] = xold - (0.5*self.xpixels + self.xshift) vold[1] = yold - (0.5*self.ypixels + self.yshift) vold[2] = self.rtrack*self.rtrack - vold[0]*vold[0] - vold[1]*vold[1] if vold[2] < 0: return vold[2] = sqrt(vold[2]) vold = vecnorm(vold) vnew = [0,0,0] vnew[0] = xnew - (0.5*self.xpixels + self.xshift) vnew[1] = ynew - (0.5*self.ypixels + self.yshift) vnew[2] = self.rtrack*self.rtrack - vnew[0]*vnew[0] - vnew[1]*vnew[1] if vnew[2] < 0: return vnew[2] = sqrt(vnew[2]) vnew = vecnorm(vnew) # rot = trackball rotation axis in screen ref frame = vold x vnew # theta = angle of rotation = sin(theta) for small theta # axis = rotation axis in body ref frame described by right,up,view rot = veccross(vold,vnew) theta = sqrt(rot[0]*rot[0] + rot[1]*rot[1] + rot[2]*rot[2]) theta *= self.theta_amplify axis = [0,0,0] axis[0] = rot[0]*self.right[0] + rot[1]*self.up[0] + rot[2]*self.view[0] axis[1] = rot[0]*self.right[1] + rot[1]*self.up[1] + rot[2]*self.view[1] axis[2] = rot[0]*self.right[2] + rot[1]*self.up[2] + rot[2]*self.view[2] axis = vecnorm(axis) # view is changed by (axis x view) scaled by theta # up is changed by (axis x up) scaled by theta # force up to be perp to view via up_perp = up - (up . view) view # right = up x view delta = veccross(axis,self.view) self.view[0] -= theta*delta[0] self.view[1] -= theta*delta[1] self.view[2] -= theta*delta[2] self.view = vecnorm(self.view) delta = veccross(axis,self.up) self.up[0] -= theta*delta[0] self.up[1] -= theta*delta[1] self.up[2] -= theta*delta[2] dot = vecdot(self.up,self.view) self.up[0] -= dot*self.view[0] self.up[1] -= dot*self.view[1] self.up[2] -= dot*self.view[2] self.up = vecnorm(self.up) self.right = veccross(self.up,self.view) # convert new view to ztheta,azphi self.ztheta = acos(self.view[2])/pi * 180.0 if (self.ztheta == 0.0): self.azphi = 0.0 else: self.azphi = acos(self.view[0]/sin(pi*self.ztheta/180.0))/pi * 180.0 if self.view[1] < 0: self.azphi = 360.0 - self.azphi self.setview() self.w.tkRedraw() # -------------------------------------------------------------------- def shift(self,x,y): self.xshift = x; self.yshift = y; self.setview() self.w.tkRedraw() # -------------------------------------------------------------------- def zoom(self,scale): self.scale = scale self.setview() self.w.tkRedraw() # -------------------------------------------------------------------- # set view params needed by redraw # input: center = center of box # distance = size of scene (longest box length) # scale = zoom factor (1.0 = no zoom) # xshift,yshift = translation factor in pixels # view = unit vector from center to viewpoint # up = unit vector in up direction in scene # right = unit vector in right direction in scene # output: eye = distance to view scene from # xto,yto,zto = point to look to # xfrom,yfrom,zfrom = point to look from def setview(self): if not self.ready: return # no distance since no scene yet self.eye = 3 * self.distance / self.scale xfactor = 0.5*self.eye*self.xshift/self.xpixels yfactor = 0.5*self.eye*self.yshift/self.ypixels self.xto = self.center[0] - xfactor*self.right[0] - yfactor*self.up[0] self.yto = self.center[1] - xfactor*self.right[1] - yfactor*self.up[1] self.zto = self.center[2] - xfactor*self.right[2] - yfactor*self.up[2] self.xfrom = self.xto + self.eye*self.view[0] self.yfrom = self.yto + self.eye*self.view[1] self.zfrom = self.zto + self.eye*self.view[2] # -------------------------------------------------------------------- # box attributes, also used for triangle lines def box(self,*args): self.boxflag = args[0] if len(args) > 1: from vizinfo import colors self.bxcol = [colors[args[1]][0]/255.0,colors[args[1]][1]/255.0, colors[args[1]][2]/255.0] if len(args) > 2: self.bxthick = args[2] self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- # grab all selected snapshots from data object # add GL-specific info to each bond def reload(self): print "Loading data into gl tool ..." data = self.data self.timeframes = [] self.boxframes = [] self.atomframes = [] self.bondframes = [] self.triframes = [] self.lineframes = [] box = [] if self.boxflag == 2: box = data.maxbox() flag = 0 while 1: which,time,flag = data.iterator(flag) if flag == -1: break time,boxone,atoms,bonds,tris,lines = data.viz(which) if self.boxflag < 2: box = boxone if bonds: self.bonds_augment(bonds) self.timeframes.append(time) self.boxframes.append(box) self.atomframes.append(atoms) self.bondframes.append(bonds) self.triframes.append(tris) self.lineframes.append(lines) print time, sys.stdout.flush() print self.nframes = len(self.timeframes) self.distance = compute_distance(self.boxframes[0]) self.center = compute_center(self.boxframes[0]) self.ready = 1 self.setview() # -------------------------------------------------------------------- def nolabel(self): self.cachelist = -self.cachelist self.labels = [] # -------------------------------------------------------------------- # show a single snapshot # distance from snapshot box or max box for all selected steps def show(self,ntime): data = self.data which = data.findtime(ntime) time,box,atoms,bonds,tris,lines = data.viz(which) if self.boxflag == 2: box = data.maxbox() self.distance = compute_distance(box) self.center = compute_center(box) if bonds: self.bonds_augment(bonds) self.boxdraw = box self.atomdraw = atoms self.bonddraw = bonds self.tridraw = tris self.linedraw = lines self.ready = 1 self.setview() self.cachelist = -self.cachelist self.w.tkRedraw() self.save() # -------------------------------------------------------------------- def pan(self,*list): if len(list) == 0: self.panflag = 0 else: self.panflag = 1 self.ztheta_start = list[0] self.azphi_start = list[1] self.scale_start = list[2] self.ztheta_stop = list[3] self.azphi_stop = list[4] self.scale_stop = list[5] # -------------------------------------------------------------------- def all(self,*list): data = self.data if len(list) == 0: nstart = 0 ncount = data.nselect elif len(list) == 1: nstart = list[0] ncount = data.nselect else: ntime = list[0] nstart = list[2] ncount = list[1] if self.boxflag == 2: box = data.maxbox() # loop over all selected steps # distance from 1st snapshot box or max box for all selected steps # recompute box center on 1st step or if panning if len(list) <= 1: n = nstart i = flag = 0 while 1: which,time,flag = data.iterator(flag) if flag == -1: break fraction = float(i) / (ncount-1) if self.select != "": newstr = self.select % fraction data.aselect.test(newstr,time) time,boxone,atoms,bonds,tris,lines = data.viz(which) if self.boxflag < 2: box = boxone if n == nstart: self.distance = compute_distance(box) if n < 10: file = self.file + "000" + str(n) elif n < 100: file = self.file + "00" + str(n) elif n < 1000: file = self.file + "0" + str(n) else: file = self.file + str(n) if self.panflag: self.ztheta = self.ztheta_start + \ fraction*(self.ztheta_stop - self.ztheta_start) self.azphi = self.azphi_start + \ fraction*(self.azphi_stop - self.azphi_start) self.scale = self.scale_start + \ fraction*(self.scale_stop - self.scale_start) self.viewupright() if n == nstart or self.panflag: self.center = compute_center(box) if bonds: self.bonds_augment(bonds) self.boxdraw = box self.atomdraw = atoms self.bonddraw = bonds self.tridraw = tris self.linedraw = lines self.ready = 1 self.setview() self.cachelist = -self.cachelist self.w.tkRedraw() self.save(file) print time, sys.stdout.flush() i += 1 n += 1 # loop ncount times on same step # distance from 1st snapshot box or max box for all selected steps # recompute box center on 1st step or if panning else: which = data.findtime(ntime) n = nstart for i in range(ncount): fraction = float(i) / (ncount-1) if self.select != "": newstr = self.select % fraction data.aselect.test(newstr,ntime) time,boxone,atoms,bonds,tris,lines = data.viz(which) if self.boxflag < 2: box = boxone if n == nstart: self.distance = compute_distance(box) if n < 10: file = self.file + "000" + str(n) elif n < 100: file = self.file + "00" + str(n) elif n < 1000: file = self.file + "0" + str(n) else: file = self.file + str(n) if self.panflag: self.ztheta = self.ztheta_start + \ fraction*(self.ztheta_stop - self.ztheta_start) self.azphi = self.azphi_start + \ fraction*(self.azphi_stop - self.azphi_start) self.scale = self.scale_start + \ fraction*(self.scale_stop - self.scale_start) self.viewupright() if n == nstart or self.panflag: self.center = compute_center(box) if bonds: self.bonds_augment(bonds) self.boxdraw = box self.atomdraw = atoms self.bonddraw = bonds self.tridraw = tris self.linedraw = lines self.ready = 1 self.setview() self.cachelist = -self.cachelist self.w.tkRedraw() self.save(file) print n, sys.stdout.flush() n += 1 print "\n%d images" % ncount # -------------------------------------------------------------------- def display(self,index): self.boxdraw = self.boxframes[index] self.atomdraw = self.atomframes[index] self.bonddraw = self.bondframes[index] self.tridraw = self.triframes[index] self.linedraw = self.lineframes[index] self.ready = 1 self.cachelist = -self.cachelist self.w.tkRedraw() return (self.timeframes[index],len(self.atomdraw)) # -------------------------------------------------------------------- # draw the GL scene def redraw(self,o): # clear window to background color glClearColor(self.bgcol[0],self.bgcol[1],self.bgcol[2],0) glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT) # not ready if no scene yet if not self.ready: return # set view from eye, distance, 3 lookat vectors (from,to,up) glMatrixMode(GL_PROJECTION) glLoadIdentity() if self.orthoflag: glOrtho(-0.25*self.eye,0.25*self.eye,-0.25*self.eye,0.25*self.eye, self.eye-2*self.distance,self.eye+2*self.distance) else: gluPerspective(30.0,1.0,0.01,10000.0) glMatrixMode(GL_MODELVIEW) glLoadIdentity() gluLookAt(self.xfrom,self.yfrom,self.zfrom,self.xto,self.yto,self.zto, self.up[0],self.up[1],self.up[2]) # draw scene from display list if caching allowed and list hasn't changed # else redraw and store as new display list if caching allowed if self.cache and self.cachelist > 0: glCallList(self.cachelist); else: if self.cache: if self.cachelist < 0: glDeleteLists(-self.cachelist,1) self.cachelist = glGenLists(1) glNewList(self.cachelist,GL_COMPILE_AND_EXECUTE) # draw box, clip-box, xyz axes, lines glDisable(GL_LIGHTING) if self.boxflag: self.draw_box(0) if self.clipflag: self.draw_box(1) if self.axisflag: self.draw_axes() ncolor = self.vizinfo.nlcolor for line in self.linedraw: itype = int(line[1]) if itype > ncolor: raise StandardError,"line type too big" red,green,blue = self.vizinfo.lcolor[itype] glColor3f(red,green,blue) thick = self.vizinfo.lrad[itype] glLineWidth(thick) glBegin(GL_LINES) glVertex3f(line[2],line[3],line[4]) glVertex3f(line[5],line[6],line[7]) glEnd() glEnable(GL_LIGHTING) # draw non-clipped scene = atoms, bonds, triangles # draw atoms as collection of points # cannot put PointSize inside glBegin # so probably need to group atoms by type for best performance # or just allow one radius # need to scale radius appropriately with box size # or could leave it at absolute value # use POINT_SMOOTH to enable anti-aliasing and round points # multiple timesteps via vcr::play() is still not fast # caching makes it fast for single frame, but multiple frames is slow # need to enable clipping # if not self.clipflag: # glDisable(GL_LIGHTING) # glEnable(GL_POINT_SMOOTH) # glPointSize(self.vizinfo.arad[int(self.atomdraw[0][1])]) # glBegin(GL_POINTS) # for atom in self.atomdraw: # red,green,blue = self.vizinfo.acolor[int(atom[1])] # glColor(red,green,blue) # glVertex3d(atom[2],atom[3],atom[4]) # glEnd() # glEnable(GL_LIGHTING) if not self.clipflag: for atom in self.atomdraw: glTranslatef(atom[2],atom[3],atom[4]); glCallList(self.calllist[int(atom[1])]); glTranslatef(-atom[2],-atom[3],-atom[4]); if self.bonddraw: bound = 0.25 * self.distance ncolor = self.vizinfo.nbcolor for bond in self.bonddraw: if bond[10] > bound: continue itype = int(bond[1]) if itype > ncolor: raise StandardError,"bond type too big" red,green,blue = self.vizinfo.bcolor[itype] rad = self.vizinfo.brad[itype] glPushMatrix() glTranslatef(bond[2],bond[3],bond[4]) glRotatef(bond[11],bond[12],bond[13],0.0) glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,[red,green,blue,1.0]); glMaterialf(GL_FRONT_AND_BACK,GL_SHININESS,self.shiny); obj = gluNewQuadric() gluCylinder(obj,rad,rad,bond[10],self.nsides,self.nsides) glPopMatrix() if self.tridraw: fillflag = self.vizinfo.tfill[int(self.tridraw[0][1])] if fillflag != 1: if fillflag: glEnable(GL_POLYGON_OFFSET_FILL) glPolygonOffset(1.0,1.0) glBegin(GL_TRIANGLES) ncolor = self.vizinfo.ntcolor for tri in self.tridraw: itype = int(tri[1]) if itype > ncolor: raise StandardError,"tri type too big" red,green,blue = self.vizinfo.tcolor[itype] glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,[red,green,blue,1.0]); glMaterialf(GL_FRONT_AND_BACK,GL_SHININESS,self.shiny); glNormal3f(tri[11],tri[12],tri[13]) glVertex3f(tri[2],tri[3],tri[4]) glVertex3f(tri[5],tri[6],tri[7]) glVertex3f(tri[8],tri[9],tri[10]) glEnd() if fillflag: glDisable(GL_POLYGON_OFFSET_FILL) if fillflag: glDisable(GL_LIGHTING) glPolygonMode(GL_FRONT_AND_BACK,GL_LINE) glLineWidth(self.bxthick) glColor3f(self.bxcol[0],self.bxcol[1],self.bxcol[2]) glBegin(GL_TRIANGLES) for tri in self.tridraw: glVertex3f(tri[2],tri[3],tri[4]) glVertex3f(tri[5],tri[6],tri[7]) glVertex3f(tri[8],tri[9],tri[10]) glEnd() glEnable(GL_LIGHTING) glPolygonMode(GL_FRONT_AND_BACK,GL_FILL) # draw clipped scene = atoms, bonds, triangles else: box = self.boxdraw xlo = box[0] + self.clipxlo*(box[3] - box[0]) xhi = box[0] + self.clipxhi*(box[3] - box[0]) ylo = box[1] + self.clipylo*(box[4] - box[1]) yhi = box[1] + self.clipyhi*(box[4] - box[1]) zlo = box[2] + self.clipzlo*(box[5] - box[2]) zhi = box[2] + self.clipzhi*(box[5] - box[2]) for atom in self.atomdraw: x,y,z = atom[2],atom[3],atom[4] if x >= xlo and x <= xhi and y >= ylo and y <= yhi and \ z >= zlo and z <= zhi: glTranslatef(x,y,z); glCallList(self.calllist[int(atom[1])]); glTranslatef(-x,-y,-z); if self.bonddraw: bound = 0.25 * self.distance ncolor = self.vizinfo.nbcolor for bond in self.bonddraw: xmin = min2(bond[2],bond[5]) xmax = max2(bond[2],bond[5]) ymin = min2(bond[3],bond[6]) ymax = max2(bond[3],bond[6]) zmin = min2(bond[4],bond[7]) zmax = max2(bond[4],bond[7]) if xmin >= xlo and xmax <= xhi and \ ymin >= ylo and ymax <= yhi and zmin >= zlo and zmax <= zhi: if bond[10] > bound: continue itype = int(bond[1]) if itype > ncolor: raise StandardError,"bond type too big" red,green,blue = self.vizinfo.bcolor[itype] rad = self.vizinfo.brad[itype] glPushMatrix() glTranslatef(bond[2],bond[3],bond[4]) glRotatef(bond[11],bond[12],bond[13],0.0) glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,[red,green,blue,1.0]); glMaterialf(GL_FRONT_AND_BACK,GL_SHININESS,self.shiny); obj = gluNewQuadric() gluCylinder(obj,rad,rad,bond[10],self.nsides,self.nsides) glPopMatrix() if self.tridraw: fillflag = self.vizinfo.tfill[int(self.tridraw[0][1])] if fillflag != 1: if fillflag: glEnable(GL_POLYGON_OFFSET_FILL) glPolygonOffset(1.0,1.0) glBegin(GL_TRIANGLES) ncolor = self.vizinfo.ntcolor for tri in self.tridraw: xmin = min3(tri[2],tri[5],tri[8]) xmax = max3(tri[2],tri[5],tri[8]) ymin = min3(tri[3],tri[6],tri[9]) ymax = max3(tri[3],tri[6],tri[9]) zmin = min3(tri[4],tri[7],tri[10]) zmax = max3(tri[4],tri[7],tri[10]) if xmin >= xlo and xmax <= xhi and \ ymin >= ylo and ymax <= yhi and \ zmin >= zlo and zmax <= zhi: itype = int(tri[1]) if itype > ncolor: raise StandardError,"tri type too big" red,green,blue = self.vizinfo.tcolor[itype] glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION, [red,green,blue,1.0]); glMaterialf(GL_FRONT_AND_BACK,GL_SHININESS,self.shiny); glNormal3f(tri[11],tri[12],tri[13]) glVertex3f(tri[2],tri[3],tri[4]) glVertex3f(tri[5],tri[6],tri[7]) glVertex3f(tri[8],tri[9],tri[10]) glEnd() if fillflag: glDisable(GL_POLYGON_OFFSET_FILL) if fillflag: glDisable(GL_LIGHTING) glPolygonMode(GL_FRONT_AND_BACK,GL_LINE) glLineWidth(self.bxthick) glColor3f(self.bxcol[0],self.bxcol[1],self.bxcol[2]) glBegin(GL_TRIANGLES) for tri in self.tridraw: xmin = min3(tri[2],tri[5],tri[8]) xmax = max3(tri[2],tri[5],tri[8]) ymin = min3(tri[3],tri[6],tri[9]) ymax = max3(tri[3],tri[6],tri[9]) zmin = min3(tri[4],tri[7],tri[10]) zmax = max3(tri[4],tri[7],tri[10]) if xmin >= xlo and xmax <= xhi and \ ymin >= ylo and ymax <= yhi and \ zmin >= zlo and zmax <= zhi: glVertex3f(tri[2],tri[3],tri[4]) glVertex3f(tri[5],tri[6],tri[7]) glVertex3f(tri[8],tri[9],tri[10]) glEnd() glEnable(GL_LIGHTING) glPolygonMode(GL_FRONT_AND_BACK,GL_FILL) if self.cache: glEndList() glFlush() # -------------------------------------------------------------------- # make new call list for each atom type # called when atom color/rad/quality is changed def make_atom_calllist(self): # extend calllist array if necessary if self.vizinfo.nacolor > self.nclist: for i in range(self.vizinfo.nacolor-self.nclist): self.calllist.append(0) self.nclist = self.vizinfo.nacolor # create new calllist for each atom type for itype in xrange(1,self.vizinfo.nacolor+1): if self.calllist[itype]: glDeleteLists(self.calllist[itype],1) ilist = glGenLists(1) self.calllist[itype] = ilist glNewList(ilist,GL_COMPILE) red,green,blue = self.vizinfo.acolor[itype] rad = self.vizinfo.arad[itype] glColor3f(red,green,blue); # glPointSize(10.0*rad) # glBegin(GL_POINTS) # glVertex3f(0.0,0.0,0.0) # glEnd() glMaterialfv(GL_FRONT,GL_EMISSION,[red,green,blue,1.0]); glMaterialf(GL_FRONT,GL_SHININESS,self.shiny); glutSolidSphere(rad,self.nslices,self.nstacks) glEndList() # -------------------------------------------------------------------- # augment bond info returned by viz() with info needed for GL draw # info = length, theta, -dy, dx for bond orientation def bonds_augment(self,bonds): for bond in bonds: dx = bond[5] - bond[2] dy = bond[6] - bond[3] dz = bond[7] - bond[4] length = sqrt(dx*dx + dy*dy + dz*dz) dx /= length dy /= length dz /= length theta = acos(dz)*180.0/pi bond += [length,theta,-dy,dx] # -------------------------------------------------------------------- def draw_box(self,flag): xlo,ylo,zlo,xhi,yhi,zhi = self.boxdraw if flag: tmp = xlo + self.clipxlo*(xhi - xlo) xhi = xlo + self.clipxhi*(xhi - xlo) xlo = tmp tmp = ylo + self.clipylo*(yhi - ylo) yhi = ylo + self.clipyhi*(yhi - ylo) ylo = tmp tmp = zlo + self.clipzlo*(zhi - zlo) zhi = zlo + self.clipzhi*(zhi - zlo) zlo = tmp glLineWidth(self.bxthick) glColor3f(self.bxcol[0],self.bxcol[1],self.bxcol[2]) glBegin(GL_LINE_LOOP) glVertex3f(xlo,ylo,zlo) glVertex3f(xhi,ylo,zlo) glVertex3f(xhi,yhi,zlo) glVertex3f(xlo,yhi,zlo) glEnd() glBegin(GL_LINE_LOOP) glVertex3f(xlo,ylo,zhi) glVertex3f(xhi,ylo,zhi) glVertex3f(xhi,yhi,zhi) glVertex3f(xlo,yhi,zhi) glEnd() glBegin(GL_LINES) glVertex3f(xlo,ylo,zlo) glVertex3f(xlo,ylo,zhi) glVertex3f(xhi,ylo,zlo) glVertex3f(xhi,ylo,zhi) glVertex3f(xhi,yhi,zlo) glVertex3f(xhi,yhi,zhi) glVertex3f(xlo,yhi,zlo) glVertex3f(xlo,yhi,zhi) glEnd() # -------------------------------------------------------------------- def draw_axes(self): xlo,ylo,zlo,xhi,yhi,zhi = self.boxdraw delta = xhi-xlo if yhi-ylo > delta: delta = yhi-ylo if zhi-zlo > delta: delta = zhi-zlo delta *= 0.1 glLineWidth(self.bxthick) glBegin(GL_LINES) glColor3f(1,0,0) glVertex3f(xlo-delta,ylo-delta,zlo-delta) glVertex3f(xhi-delta,ylo-delta,zlo-delta) glColor3f(0,1,0) glVertex3f(xlo-delta,ylo-delta,zlo-delta) glVertex3f(xlo-delta,yhi-delta,zlo-delta) glColor3f(0,0,1) glVertex3f(xlo-delta,ylo-delta,zlo-delta) glVertex3f(xlo-delta,ylo-delta,zhi-delta) glEnd() # -------------------------------------------------------------------- def save(self,file=None): self.w.update() # force image on screen to be current before saving it pstring = glReadPixels(0,0,self.xpixels,self.ypixels, GL_RGBA,GL_UNSIGNED_BYTE) snapshot = Image.fromstring("RGBA",(self.xpixels,self.ypixels),pstring) snapshot = snapshot.transpose(Image.FLIP_TOP_BOTTOM) if not file: file = self.file snapshot.save(file + ".png") # -------------------------------------------------------------------- def adef(self): self.vizinfo.setcolors("atom",range(100),"loop") self.vizinfo.setradii("atom",range(100),0.45) self.make_atom_calllist() self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def bdef(self): self.vizinfo.setcolors("bond",range(100),"loop") self.vizinfo.setradii("bond",range(100),0.25) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def tdef(self): self.vizinfo.setcolors("tri",range(100),"loop") self.vizinfo.setfills("tri",range(100),0) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def ldef(self): self.vizinfo.setcolors("line",range(100),"loop") self.vizinfo.setradii("line",range(100),0.25) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def acol(self,atypes,colors): self.vizinfo.setcolors("atom",atypes,colors) self.make_atom_calllist() self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def arad(self,atypes,radii): self.vizinfo.setradii("atom",atypes,radii) self.make_atom_calllist() self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def bcol(self,btypes,colors): self.vizinfo.setcolors("bond",btypes,colors) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def brad(self,btypes,radii): self.vizinfo.setradii("bond",btypes,radii) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def tcol(self,ttypes,colors): self.vizinfo.setcolors("tri",ttypes,colors) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def tfill(self,ttypes,flags): self.vizinfo.setfills("tri",ttypes,flags) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def lcol(self,ltypes,colors): self.vizinfo.setcolors("line",ltypes,colors) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- def lrad(self,ltypes,radii): self.vizinfo.setradii("line",ltypes,radii) self.cachelist = -self.cachelist self.w.tkRedraw() # -------------------------------------------------------------------- # derived class from Togl's Opengl # overwrite redraw, translate, rotate, scale methods # latter 3 are mouse-motion methods class MyOpengl(Opengl): def __init__(self, master, cnf={}, **kw): args = (self,master,cnf) Opengl.__init__(*args,**kw) Opengl.autospin_allowed = 0 # redraw Opengl scene # call parent redraw() method def tkRedraw(self,*dummy): if not self.initialised: return self.tk.call(self._w,'makecurrent') self.redraw(self) self.tk.call(self._w,'swapbuffers') # left button translate # access parent xshift/yshift and call parent trans() method def tkTranslate(self,event): dx = event.x - self.xmouse dy = event.y - self.ymouse x = self.parent.xshift + dx y = self.parent.yshift - dy self.parent.shift(x,y) self.tkRedraw() self.tkRecordMouse(event) # middle button trackball # call parent mouse_rotate() method def tkRotate(self,event): self.parent.mouse_rotate(event.x,event.y,self.xmouse,self.ymouse) self.tkRedraw() self.tkRecordMouse(event) # right button zoom # access parent scale and call parent zoom() method def tkScale(self,event): scale = 1 - 0.01 * (event.y - self.ymouse) if scale < 0.001: scale = 0.001 elif scale > 1000: scale = 1000 scale *= self.parent.scale self.parent.zoom(scale) self.tkRedraw() self.tkRecordMouse(event) # -------------------------------------------------------------------- # draw a line segment def segment(p1,p2): glVertex3f(p1[0],p1[1],p1[2]) glVertex3f(p2[0],p2[1],p2[2]) # -------------------------------------------------------------------- # normalize a 3-vector to unit length def vecnorm(v): length = sqrt(v[0]*v[0] + v[1]*v[1] + v[2]*v[2]) return [v[0]/length,v[1]/length,v[2]/length] # -------------------------------------------------------------------- # dot product of two 3-vectors def vecdot(v1,v2): return v1[0]*v2[0] + v1[1]*v2[1] + v1[2]*v2[2] # -------------------------------------------------------------------- # cross product of two 3-vectors def veccross(v1,v2): v = [0,0,0] v[0] = v1[1]*v2[2] - v1[2]*v2[1] v[1] = v1[2]*v2[0] - v1[0]*v2[2] v[2] = v1[0]*v2[1] - v1[1]*v2[0] return v # -------------------------------------------------------------------- # return characteristic distance of simulation domain = max dimension def compute_distance(box): distance = box[3]-box[0] if box[4]-box[1] > distance: distance = box[4]-box[1] if box[5]-box[2] > distance: distance = box[5]-box[2] return distance # -------------------------------------------------------------------- # return center of box as 3 vector def compute_center(box): c = [0,0,0] c[0] = 0.5 * (box[0] + box[3]) c[1] = 0.5 * (box[1] + box[4]) c[2] = 0.5 * (box[2] + box[5]) return c # -------------------------------------------------------------------- # return min of 2 values def min2(a,b): if b < a: a = b return a # -------------------------------------------------------------------- # return max of 2 values def max2(a,b): if b > a: a = b return a # -------------------------------------------------------------------- # return min of 3 values def min3(a,b,c): if b < a: a = b if c < a: a = c return a # -------------------------------------------------------------------- # return max of 3 values def max3(a,b,c): if b > a: a = b if c > a: a = c return a
43,711
31.866165
79
py
LIGGGHTS-WITH-BONDS
LIGGGHTS-WITH-BONDS-master/doc/Scripts/correlate.py
#!/usr/bin/env python """ function: parse the block of thermo data in a lammps logfile and perform auto- and cross correlation of the specified column data. The total sum of the correlation is also computed which can be converted to an integral by multiplying by the timestep. output: standard output contains column data for the auto- & cross correlations plus the total sum of each. Note, only the upper triangle of the correlation matrix is computed. usage: correlate.py [-c col] <-c col2> <-s max_correlation_time> [logfile] """ import sys import re import array # parse command line maxCorrelationTime = 0 cols = array.array("I") nCols = 0 args = sys.argv[1:] index = 0 while index < len(args): arg = args[index] index += 1 if (arg == "-c"): cols.append(int(args[index])-1) nCols += 1 index += 1 elif (arg == "-s"): maxCorrelationTime = int(args[index]) index += 1 else : filename = arg if (nCols < 1): raise RuntimeError, 'no data columns requested' data = [array.array("d")] for s in range(1,nCols) : data.append( array.array("d") ) # read data block from log file start = False input = open(filename) nSamples = 0 pattern = re.compile('\d') line = input.readline() while line : columns = line.split() if (columns and pattern.match(columns[0])) : for i in range(nCols): data[i].append( float(columns[cols[i]]) ) nSamples += 1 start = True else : if (start) : break line = input.readline() print "# read :",nSamples," samples of ", nCols," data" if( maxCorrelationTime < 1): maxCorrelationTime = int(nSamples/2); # correlate and integrate correlationPairs = [] for i in range(0,nCols): for j in range(i,nCols): # note only upper triangle of the correlation matrix correlationPairs.append([i,j]) header = "# " for k in range(len(correlationPairs)): i = str(correlationPairs[k][0]+1) j = str(correlationPairs[k][1]+1) header += " C"+i+j+" sum_C"+i+j print header nCorrelationPairs = len(correlationPairs) sum = [0.0] * nCorrelationPairs for s in range(maxCorrelationTime) : correlation = [0.0] * nCorrelationPairs nt = nSamples-s for t in range(0,nt) : for p in range(nCorrelationPairs): i = correlationPairs[p][0] j = correlationPairs[p][1] correlation[p] += data[i][t]*data[j][s+t] output = "" for p in range(0,nCorrelationPairs): correlation[p] /= nt sum[p] += correlation[p] output += str(correlation[p]) + " " + str(sum[p]) + " " print output
2,537
27.2
79
py
verrou
verrou-master/generateBackendInterOperator.py
#!/usr/bin/env python3 # This file is part of Verrou, a FPU instrumentation tool. # Copyright (C) 2014-2021 EDF # F. Févotte <francois.fevotte@edf.fr> # B. Lathuilière <bruno.lathuiliere@edf.fr> # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation; either version 2.1 of the # License, or (at your option) any later version. # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # General Public License for more details. # You should have received a copy of the GNU Lesser General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA # 02111-1307, USA. # The GNU Lesser General Public License is contained in the file COPYING. import sys import re def generateNargs(fileOut, fileNameTemplate, listOfBackend, listOfOp, nargs, post="", roundingTab=[None]): templateStr=open(fileNameTemplate, "r").readlines() FctNameRegExp=re.compile("(.*)FCTNAME\(([^,]*),([^)]*)\)(.*)") BckNameRegExp=re.compile("(.*)BACKENDFUNC\(([^)]*)\)(.*)") for backend in listOfBackend: for op in listOfOp: for rounding in roundingTab: if nargs in [1,2]: applyTemplate(fileOut, templateStr, FctNameRegExp, BckNameRegExp, backend,op, post, sign=None, rounding=rounding) if nargs==3: sign="" if "msub" in op: sign="-" applyTemplate(fileOut, templateStr,FctNameRegExp,BckNameRegExp, backend, op, post, sign, rounding=rounding) def applyTemplate(fileOut, templateStr, FctRegExp, BckRegExp, backend, op, post, sign=None, rounding=None): fileOut.write("// generation of operation %s backend %s\n"%(op,backend)) backendFunc=backend if rounding!=None: backendFunc=backend+"_"+rounding def fctName(typeVal,opt): return "vr_"+backendFunc+post+op+typeVal+opt def bckName(typeVal): if sign!="-": if rounding!=None: return "interflop_"+backend+"_"+op+"_"+typeVal+"_"+rounding return "interflop_"+backend+"_"+op+"_"+typeVal else: if rounding!=None: return "interflop_"+backend+"_"+op.replace("sub","add")+"_"+typeVal+"_"+rounding return "interflop_"+backend+"_"+op.replace("sub","add")+"_"+typeVal def bckNamePost(typeVal): if sign!="-": return "interflop_"+post+"_"+op+"_"+typeVal else: return "interflop_"+post+"_"+op.replace("sub","add")+"_"+typeVal contextName="backend_"+backend+"_context" contextNamePost="backend_"+post+"_context" for line in templateStr: if "CONTEXT" in line: line=line.replace("CONTEXT", contextName) if "SIGN" in line: if sign!=None: line=line.replace("SIGN", sign) else: print("Generation failed") sys.exit() result=FctRegExp.match(line) if result!=None: res=result.group(1) + fctName(result.group(2), result.group(3)) + result.group(4) fileOut.write(res+"\n") continue result=BckRegExp.match(line) if result!=None: res=result.group(1) + bckName(result.group(2)) + result.group(3) fileOut.write(res+"\n") if post!="": res=result.group(1) + bckNamePost(result.group(2)) + result.group(3) res=res.replace(contextName, contextNamePost) fileOut.write(res+"\n") continue fileOut.write(line) if __name__=="__main__": fileNameOutput="vr_generated_from_templates.h" fileOut=open(fileNameOutput,"w") fileOut.write("//Generated by %s\n"%(str(sys.argv)[1:-1])) roundingTab=["NEAREST", "UPWARD", "DOWNWARD", "FARTHEST", "ZERO", "AWAY_ZERO"]+[rnd + det for rnd in ["RANDOM", "AVERAGE", "PRANDOM"] for det in ["","_DET","_COMDET" ]] roundingTab+=[rnd + det for rnd in ["RANDOM", "AVERAGE"] for det in ["_SCOMDET" ]] roundingTab+=["SR_MONOTONIC"] template1Args="vr_interp_operator_template_cast.h" listOfOp1Args=["cast"] generateNargs(fileOut,template1Args, ["verrou","mcaquad","checkdenorm"], listOfOp1Args, 1) generateNargs(fileOut,template1Args, ["verrou"], listOfOp1Args, 1, post="check_float_max") generateNargs(fileOut,template1Args, ["verrou"], listOfOp1Args, 1, roundingTab=roundingTab) template1Args="vr_interp_operator_template_1args.h" listOfOp1Args=["sqrt"] fileOut.write("#ifdef USE_VERROU_SQRT\n") generateNargs(fileOut,template1Args, ["verrou","checkdenorm"], listOfOp1Args, 1) generateNargs(fileOut,template1Args, ["verrou"], listOfOp1Args, 1, post="check_float_max") generateNargs(fileOut,template1Args, ["verrou"], listOfOp1Args, 1, roundingTab=roundingTab) fileOut.write("#endif\n") template2Args="vr_interp_operator_template_2args.h" listOfOp2Args=["add","sub","mul","div"] generateNargs(fileOut,template2Args, ["verrou","mcaquad","checkdenorm"], listOfOp2Args, 2) generateNargs(fileOut,template2Args, ["verrou"], listOfOp2Args, 2, post="check_float_max") generateNargs(fileOut,template2Args, ["verrou"], listOfOp2Args, 2, roundingTab=roundingTab) listOfOp2Args=["add","sub"] generateNargs(fileOut,template2Args, ["verrou","mcaquad","checkdenorm"], listOfOp2Args, 2, post="checkcancellation") template3Args="vr_interp_operator_template_3args.h" listOfOp3Args=["madd","msub"] generateNargs(fileOut,template3Args, ["verrou","mcaquad","checkdenorm"], listOfOp3Args, 3) generateNargs(fileOut,template3Args, ["verrou","mcaquad","checkdenorm"], listOfOp3Args, 3, post="checkcancellation") generateNargs(fileOut,template3Args, ["verrou"], listOfOp3Args, 3, post="check_float_max") generateNargs(fileOut,template3Args, ["verrou"], listOfOp3Args, 3, roundingTab=roundingTab) fileOut.close()
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verrou
verrou-master/pyTools/DD_stoch.py
# This file is part of Verrou, a FPU instrumentation tool. # Copyright (C) 2014-2021 EDF # F. Févotte <francois.fevotte@edf.fr> # B. Lathuilière <bruno.lathuiliere@edf.fr> # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation; either version 2.1 of the # License, or (at your option) any later version. # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # General Public License for more details. # You should have received a copy of the GNU Lesser General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA # 02111-1307, USA. # The GNU Lesser General Public License is contained in the file COPYING. import sys import os import subprocess import shutil import hashlib import copy import glob import datetime import math from valgrind import convNumLineTool from valgrind import DD def runCmdAsync(cmd, fname, envvars=None): """Run CMD, adding ENVVARS to the current environment, and redirecting standard and error outputs to FNAME.out and FNAME.err respectively. Returns CMD's exit code.""" if envvars is None: envvars = {} with open("%s.out"%fname, "w") as fout: with open("%s.err"%fname, "w") as ferr: env = copy.deepcopy(os.environ) for var in envvars: env[var] = envvars[var] return subprocess.Popen(cmd, env=env, stdout=fout, stderr=ferr) def getResult(subProcess): subProcess.wait() return subProcess.returncode def runCmd(cmd, fname, envvars=None): """Run CMD, adding ENVVARS to the current environment, and redirecting standard and error outputs to FNAME.out and FNAME.err respectively. Returns CMD's exit code.""" return getResult(runCmdAsync(cmd,fname,envvars)) class verrouTask: def __init__(self, dirname, refDir,runCmd, cmpCmd,nbRun, maxNbPROC, runEnv , verbose=True, seedTab=None): self.dirname=dirname self.refDir=refDir self.runCmd=runCmd self.cmpCmd=cmpCmd self.nbRun=nbRun self.FAIL=DD.DD.FAIL self.PASS=DD.DD.PASS self.subProcessRun={} self.maxNbPROC= maxNbPROC self.runEnv=runEnv self.verbose=verbose self.alreadyFail=False self.pathToPrint=os.path.relpath(self.dirname, os.getcwd()) self.preRunLambda=None self.postRunLambda=None self.seedTab=seedTab def setPostRun(self, postLambda): self.postRunLambda=postLambda def setPreRun(self, preLambda): self.preRunLambda=preLambda def printDir(self): print(self.pathToPrint,end="") def nameDir(self,i): return os.path.join(self.dirname,"dd.run%i" % (i)) def mkdir(self,i): os.mkdir(self.nameDir(i)) def rmdir(self,i): shutil.rmtree(self.nameDir(i)) def runOneSample(self,i): rundir= self.nameDir(i) env={key:self.runEnv[key] for key in self.runEnv} if self.seedTab!=None: env["VERROU_SEED"]=str(self.seedTab[i]) if self.preRunLambda!=None: self.preRunLambda(rundir, env) self.subProcessRun[i]=runCmdAsync([self.runCmd, rundir], os.path.join(rundir,"dd.run"), env) def cmpOneSample(self,i, assertRun=True): rundir= self.nameDir(i) if assertRun: if self.subProcessRun[i]!=None: getResult(self.subProcessRun[i]) if self.postRunLambda!=None: self.postRunLambda(rundir) if self.refDir==None: #if there are no reference provided cmp is ignored return self.PASS retval = runCmd([self.cmpCmd, self.refDir, rundir], os.path.join(rundir,"dd.compare")) with open(os.path.join(rundir, "dd.return.value"),"w") as f: f.write(str(retval)) if retval != 0: self.alreadyFail=True # if self.verbose: # print("FAIL(%d)" % i) return self.FAIL else: # if self.alreadyFail: # print("PASS(%d)" % i) return self.PASS def sampleToCompute(self, nbRun, earlyExit): """Return the two lists of samples which have to be compared or computed (and compared) to perforn nbRun Success run : None means Failure ([],[]) means Success """ listOfDirString=[runDir for runDir in os.listdir(self.dirname) if runDir.startswith("dd.run")] listOfDirIndex=[ int(x.replace("dd.run","")) for x in listOfDirString ] cmpDone=[] runDone=[] workToCmpOnly=[] failureIndex=[] for runDir in listOfDirString: returnValuePath=os.path.join(self.dirname, runDir, "dd.return.value") ddRunIndex=int(runDir.replace("dd.run","")) if os.path.exists(returnValuePath): statusCmp=int((open(returnValuePath).readline())) if statusCmp!=0: if earlyExit: return None else: failureIndex+=[ddRunIndex] cmpDone+=[ddRunIndex] else: runPath=os.path.join(self.dirname, runDir, "dd.run.out") if os.path.exists(runPath): runDone+=[ddRunIndex] workToRun= [x for x in range(nbRun) if (((not x in runDone+cmpDone) and (x in listOfDirIndex )) or (not (x in listOfDirIndex))) ] return (runDone, workToRun, cmpDone, failureIndex) def getEstimatedFailProbability(self): """Return an estimated probablity of fail for the configuration""" listOfDirString=[runDir for runDir in os.listdir(self.dirname) if runDir.startswith("dd.run")] listOfDirIndex=[ int(x.replace("dd.run","")) for x in listOfDirString ] cacheCounter=0. cacheFail=0. for runDir in listOfDirString: returnValuePath=os.path.join(self.dirname, runDir, "dd.return.value") if os.path.exists(returnValuePath): cacheCounter+=1. statusCmp=int((open(returnValuePath).readline())) if statusCmp!=0: cacheFail+=1. return cacheFail / cacheCounter def run(self, earlyExit=True): if self.verbose: self.printDir() workToDo=self.sampleToCompute(self.nbRun, earlyExit) if workToDo==None: print(" --(cache) -> FAIL") return self.FAIL cmpOnlyToDo=workToDo[0] runToDo=workToDo[1] cmpDone=workToDo[2] failureIndex=workToDo[3] if len(cmpOnlyToDo)==0 and len(runToDo)==0: if(len(failureIndex)==0): print(" --(cache) -> PASS("+str(self.nbRun)+")") return self.PASS else: print(" --(cache) -> FAIL(%s)"%((str(failureIndex)[1:-1]).replace(" ",""))) return self.FAIL if len(cmpOnlyToDo)!=0: print(" --( cmp ) -> ",end="",flush=True) returnVal=self.cmpSeq(cmpOnlyToDo, earlyExit) if returnVal==self.FAIL: if earlyExit: print("FAIL", end="\n",flush=True) return self.FAIL else: print("FAIL", end="",flush= True) else: print("PASS(+" + str(len(cmpOnlyToDo))+"->"+str(len(cmpDone) +len(cmpOnlyToDo))+")" , end="", flush=True) if len(runToDo)!=0: if self.maxNbPROC==None: returnVal=self.runSeq(runToDo, earlyExit, self.verbose) else: returnVal=self.runPar(runToDo) if(returnVal==self.PASS): print("PASS(+" + str(len(runToDo))+"->"+str( len(cmpOnlyToDo) +len(cmpDone) +len(runToDo) )+")" ) return returnVal else: print("") return self.PASS def cmpSeq(self,workToDo, earlyExit): res=self.PASS for run in workToDo: retVal=self.cmpOneSample(run,assertRun=False) if retVal=="FAIL": res=self.FAIL if earlyExit: return res return res def runSeq(self,workToDo, earlyExit,printStatus=False): if printStatus: print(" --( run ) -> ",end="",flush=True) res=self.PASS for run in workToDo: if not os.path.exists(self.nameDir(run)): self.mkdir(run) else: print("Manual cache modification detected (runSeq)") if self.alreadyFail: if printStatus: print(" "*len(self.pathToPrint)+" --( run ) -> ", end="", flush=True) self.runOneSample(run) retVal=self.cmpOneSample(run) if retVal=="FAIL": res=self.FAIL if earlyExit: if printStatus: print("FAIL(%i)"%(run)) return res else: if printStatus: print("FAIL(%i)"%(run)) self.alreadyFail=True return res def runPar(self,workToDo): print(" --(/run ) -> ",end="",flush=True) import concurrent.futures with concurrent.futures.ThreadPoolExecutor(max_workers=self.maxNbPROC) as executor: futures=[executor.submit(self.runSeq, [work],False, False) for work in workToDo] concurrent.futures.wait(futures) results=[futur.result() for futur in futures] if self.FAIL in results: indices=[i for i in range(len(futures)) if futures[i].result()==self.FAIL] failIndices=[workToDo[indice] for indice in indices ] print("FAIL(%s)"%((str(failIndices)[1:-1])).replace(" ","")) return self.FAIL return self.PASS def md5Name(deltas): copyDeltas=copy.copy(deltas) copyDeltas.sort() return hashlib.md5(("".join(copyDeltas)).encode('utf-8')).hexdigest() def prepareOutput(dirname): shutil.rmtree(dirname, ignore_errors=True) os.makedirs(dirname) def failure(): sys.exit(42) class DDStoch(DD.DD): def __init__(self, config, prefix, selectBlocAndNumLine=lambda x: (x,0), joinBlocAndNumLine= lambda x,y: x ): DD.DD.__init__(self) self.config_=config if not self.config_.get_quiet(): print("delta debug options :") print(self.config_.optionToStr()) self.run_ = self.config_.get_runScript() self.compare_ = self.config_.get_cmpScript() self.cache_outcomes = False # the cache of DD.DD is ignored self.index=0 self.prefix_ = os.path.join(os.getcwd(),prefix) self.relPrefix_=prefix self.ref_ = os.path.join(self.prefix_, "ref") self.prepareCache() prepareOutput(self.ref_) self.reference() #generate the reference computation self.mergeList() #generate the search space self.rddminHeuristicLoadRep(selectBlocAndNumLine, joinBlocAndNumLine) # at the end because need the search space def symlink(self,src, dst): """Create a relative symlink""" if os.path.lexists(dst): os.remove(dst) relSrc=os.path.relpath(src, self.prefix_ ) relDist=os.path.relpath(dst, self.prefix_) relPrefix=os.path.relpath(self.prefix_, os.getcwd()) os.symlink(relSrc, os.path.join(relPrefix, relDist)) def cleanSymLink(self): """Delete all symlink in the cache""" self.saveCleabSymLink=[] symLinkTab=self.searchSymLink() for symLink in symLinkTab: if os.path.lexists(symLink): os.remove(symLink) if self.config_.get_cache=="continue": self.saveCleanSymLink+=[symLink] def searchSymLink(self): """Return the list of symlink (created by DD_stoch) in the cache""" res =glob.glob(os.path.join(self.prefix_, "ddmin*")) res+=glob.glob(os.path.join(self.prefix_, "ddmax")) res+=glob.glob(os.path.join(self.prefix_, "rddmin-cmp")) res+=glob.glob(os.path.join(self.prefix_, "FullPerturbation")) res+=glob.glob(os.path.join(self.prefix_, "NoPerturbation")) return res def rddminHeuristicLoadRep(self, selectBlocAndNumLine, joinBlocAndNumLine): """ Load the results of previous ddmin. Need to be called after prepareCache""" self.useRddminHeuristic=False if self.config_.get_rddminHeuristicsCache() !="none" or len(self.config_.get_rddminHeuristicsRep_Tab())!=0: self.useRddminHeuristic=True if self.useRddminHeuristic==False: return rddmin_heuristic_rep=[] if "cache" in self.config_.get_rddminHeuristicsCache(): if self.config_.get_cache()=="rename": if self.oldCacheName!=None: cacheRep=self.oldCacheName if os.path.isdir(cacheRep): rddmin_heuristic_rep+=[cacheRep] else: cacheRep=self.prefix_ if os.path.isdir(cacheRep): rddmin_heuristic_rep+=[cacheRep] if self.config_.get_rddminHeuristicsCache()=="all_cache": rddmin_heuristic_rep+=glob.glob(self.prefix_+"-*-*-*_*h*m*s") for rep in self.config_.get_rddminHeuristicsRep_Tab(): if rep not in rddmin_heuristic_rep: rddmin_heuristic_rep+=[rep] self.ddminHeuristic=[] if self.config_.get_cache=="continue": self.ddminHeuristic+=[ self.loadDeltaFile(rep) for rep in self.saveCleanSymLink if "ddmin" in rep] if self.config_.get_rddminHeuristicsLineConv(): for rep in rddmin_heuristic_rep: deltaOld=self.loadDeltaFile(os.path.join(rep,"ref"), True) if deltaOld==None: continue cvTool=convNumLineTool.convNumLineTool(deltaOld, self.getDelta0(), selectBlocAndNumLine, joinBlocAndNumLine) repTab=glob.glob(os.path.join(rep, "ddmin*")) for repDDmin in repTab: deltas=self.loadDeltaFile(repDDmin) if deltas==None: continue deltasNew=[] for delta in deltas: deltasNew+= cvTool.getNewLines(delta) self.ddminHeuristic+=[deltasNew] else: for rep in rddmin_heuristic_rep: repTab=glob.glob(os.path.join(rep, "ddmin*")) for repDDmin in repTab: deltas=self.loadDeltaFile(repDDmin) if deltas==None: continue self.ddminHeuristic+=[deltas] def loadDeltaFile(self,rep, ref=False): fileName=os.path.join(rep, self.getDeltaFileName()+".include") if ref: fileName=os.path.join(rep, self.getDeltaFileName()) if os.path.exists(fileName): deltasTab=[ x.rstrip() for x in (open(fileName)).readlines()] return deltasTab else: print(fileName + " do not exist") return None def prepareCache(self): cache=self.config_.get_cache() if cache=="continue": if not os.path.exists(self.prefix_): os.mkdir(self.prefix_) self.cleanSymLink() return if cache=="clean": shutil.rmtree(self.prefix_, ignore_errors=True) os.mkdir(self.prefix_) return if cache=="rename_keep_result": #delete unusefull rep : rename treated later symLinkTab=self.searchSymLink() repToKeep=[os.readlink(x) for x in symLinkTab] print(repToKeep) for item in os.listdir(self.prefix_): if len(item)==32 and all(i in ['a', 'b', 'c', 'd', 'e', 'f']+[str(x) for x in range(10)] for i in item) : if not item in repToKeep: shutil.rmtree(os.path.join(self.prefix_, item)) if cache.startswith("rename"): if os.path.exists(self.prefix_): symLinkTab=self.searchSymLink() if symLinkTab==[]: #find alternative file to get time stamp refPath=os.path.join(self.prefix_, "ref") if os.path.exists(refPath): symLinkTab=[refPath] else: symLinkTab=[self.prefix_] timeStr=datetime.datetime.fromtimestamp(max([os.path.getmtime(x) for x in symLinkTab])).strftime("%m-%d-%Y_%Hh%Mm%Ss") self.oldCacheName=self.prefix_+"-"+timeStr os.rename(self.prefix_,self.oldCacheName ) else: self.oldCacheName=None os.mkdir(self.prefix_) if cache=="keep_run": if not os.path.exists(self.prefix_): os.mkdir(self.prefix_) else: self.cleanSymLink() filesToDelete =glob.glob(os.path.join(self.prefix_, "*/dd.run[0-9]*/dd.compare.*")) filesToDelete +=glob.glob(os.path.join(self.prefix_, "*/dd.run[0-9]*/dd.return.value")) for fileToDelete in filesToDelete: os.remove(fileToDelete) def reference(self): """Run the reference and check the result""" print(os.path.relpath(self.ref_, os.getcwd()),end="") print(" -- (run) -> ",end="",flush=True) retval = runCmd([self.run_, self.ref_], os.path.join(self.ref_,"dd"), self.referenceRunEnv()) if retval!=0: print("") self.referenceRunFailure() else: """Check the comparison between the reference and refrence is valid""" retval = runCmd([self.compare_,self.ref_, self.ref_], os.path.join(self.ref_,"checkRef")) if retval != 0: print("FAIL") self.referenceFailsFailure() else: print("PASS") def mergeList(self): """merge the file name.$PID into a uniq file called name """ dirname=self.ref_ name=self.getDeltaFileName() listOfExcludeFile=[ x for x in os.listdir(dirname) if self.isFileValidToMerge(x) ] if len(listOfExcludeFile)<1: self.searchSpaceGenerationFailure() # with open(os.path.join(dirname,listOfExcludeFile[0]), "r") as f: # excludeMerged=f.readlines() # for excludeFile in listOfExcludeFile[1:]: excludeMerged=[] for excludeFile in listOfExcludeFile: with open(os.path.join(dirname,excludeFile), "r") as f: for line in f.readlines(): rsline=line.rstrip() if rsline not in excludeMerged: excludeMerged+=[rsline] with open(os.path.join(dirname, name), "w" )as f: for line in excludeMerged: f.write(line+"\n") def testWithLink(self, deltas, linkname, earlyExit=True): testResult=self._test(deltas, self.config_.get_nbRUN() , earlyExit) dirname = os.path.join(self.prefix_, md5Name(deltas)) self.symlink(dirname, os.path.join(self.prefix_,linkname)) return testResult def report_progress(self, c, title): if not self.config_.get_quiet: super().report_progress(c,title) def configuration_found(self, kind_str, delta_config,verbose=True): if verbose: print("%s (%s):"%(kind_str,self.coerce(delta_config))) earlyExit=True if self.config_.resWithAllSamples: earlyExit=False self.testWithLink(delta_config, kind_str, earlyExit) def run(self, deltas=None): # get the search space if deltas==None: deltas=self.getDelta0() if(len(deltas)==0): emptySearchSpaceFailure() #basic verification testResult=self._test(deltas) self.configuration_found("FullPerturbation",deltas) if testResult!=self.FAIL: self.fullPerturbationSucceedsFailure() testResult=self._test([]) self.configuration_found("NoPerturbation",[]) if testResult!=self.PASS: self.noPerturbationFailsFailure() #select the right variant of algo and apply it algo=self.config_.get_ddAlgo() resConf=None def rddminAlgo(localDeltas): if algo=="rddmin": localConf = self.RDDMin(localDeltas, self.config_.get_nbRUN()) if algo.startswith("srddmin"): localConf= self.SRDDMin(localDeltas, self.config_.get_rddMinTab()) if algo.startswith("drddmin"): localConf = self.DRDDMin(localDeltas, self.config_.get_rddMinTab(), self.config_.get_splitTab(), self.config_.get_splitGranularity()) return localConf if self.useRddminHeuristic and "rddmin" in algo: resConf=self.applyRddminWithHeuristics(deltas,rddminAlgo) else: resConf=rddminAlgo(deltas) if algo=="ddmax": resConf= self.DDMax(deltas) else: if resConf!=None: flatRes=[c for conf in resConf for c in conf] cmp= [delta for delta in deltas if delta not in flatRes ] self.configuration_found("rddmin-cmp", cmp) return resConf def applyRddminWithHeuristics(self,deltas, algo): """Test the previous ddmin configuration (previous run of DD_stoch) as a filter to rddmin algo""" res=[] for heuristicsDelta in self.ddminHeuristic: if all(x in deltas for x in heuristicsDelta): #check inclusion testResult=self._test(heuristicsDelta, self.config_.get_nbRUN()) if testResult!=self.FAIL: if not self.config_.get_quiet(): print("Bad rddmin heuristic : %s"%self.coerce(heuristicsDelta)) else: if not self.config_.get_quiet(): print("Good rddmin heuristics : %s"%self.coerce(heuristicsDelta)) if len(heuristicsDelta)==1: res+=[heuristicsDelta] self.configuration_found("ddmin%d"%(self.index), heuristicsDelta) self.index+=1 deltas=[delta for delta in deltas if delta not in heuristicsDelta] else: resTab= self.check1Min(heuristicsDelta, self.config_.get_nbRUN()) for resMin in resTab: res+=[resMin] #add to res deltas=[delta for delta in deltas if delta not in resMin] #reduce search space print("Heuristics applied") #after the heuristic filter a classic (s)rddmin is applied testResult=self._test(deltas, self.config_.get_nbRUN()) if testResult!=self.FAIL: return res else: return res+algo(deltas) def DDMax(self, deltas): res=self.verrou_dd_max(deltas) cmp=[delta for delta in deltas if delta not in res] self.configuration_found("ddmax", cmp) self.configuration_found("ddmax-cmp", res) return cmp def RDDMin(self, deltas,nbRun): ddminTab=[] testResult=self._test(deltas) if testResult!=self.FAIL: self.internalError("RDDMIN", md5Name(deltas)+" should fail") while testResult==self.FAIL: conf = self.verrou_dd_min(deltas,nbRun) ddminTab += [conf] self.configuration_found("ddmin%d"%(self.index), conf) #print("ddmin%d (%s):"%(self.index,self.coerce(conf))) #update deltas deltas=[delta for delta in deltas if delta not in conf] testResult=self._test(deltas,nbRun) self.index+=1 return ddminTab def check1Min(self, deltas,nbRun): ddminTab=[] testResult=self._test(deltas) if testResult!=self.FAIL: self.internalError("Check1-MIN", md5Name(deltas)+" should fail") for deltaMin1 in deltas: newDelta=[delta for delta in deltas if delta!=deltaMin1] testResult=self._test(newDelta) if testResult==self.FAIL: if not self.config_.get_quiet(): print("Heuristics not 1-Minimal") return self.RDDMin(deltas, nbRun) self.configuration_found("ddmin%d"%(self.index), deltas) self.index+=1 return [deltas] def splitDeltas(self, deltas,nbRun,granularity): nbProc=self.config_.get_maxNbPROC() if nbProc in [None,1]: return self.splitDeltasSeq(deltas, nbRun, granularity) return self.splitDeltasPar(deltas, nbRun, granularity,nbProc) def splitDeltasPar(self, deltas,nbRun,granularity, nbProc): if self._test(deltas, self.config_.get_nbRUN())==self.PASS: return [] #short exit res=[] #result : set of smallest (each subset with repect with granularity lead to success) toTreat=[deltas] #name for progression algo_name="splitDeltasPara" nbPara=math.ceil( nbProc/granularity) while len(toTreat)>0: toTreatNow=toTreat[0:nbPara] toTreatLater=toTreat[nbPara:] ciTab=[self.split(candidat, min(granularity, len(candidat))) for candidat in toTreatNow] flatciTab=sum(ciTab,[]) flatResTab=self._testTab(flatciTab, [nbRun]* len(flatciTab)) resTab=[] lBegin=0 for i in range(len(ciTab)): #unflat flatRes lEnd=lBegin+len(ciTab[i]) resTab+=[flatResTab[lBegin: lEnd]] lBegin=lEnd remainToTreat=[] for i in range(len(ciTab)): ci=ciTab[i] splitFailed=False for j in range(len(ci)): conf=ci[j] if resTab[i][j]==self.FAIL: splitFailed=True if len(conf)==1: self.configuration_found("ddmin%d"%(self.index), conf) self.index+=1 res.append(conf) else: remainToTreat+=[conf] if not splitFailed: res+=[toTreatNow[i]] toTreat=remainToTreat+toTreatLater return res def splitDeltasSeq(self, deltas,nbRun,granularity): if self._test(deltas, self.config_.get_nbRUN())==self.PASS: return [] #short exit res=[] #result : set of smallest (each subset with repect with granularity lead to success) #two lists which contain tasks # -the fail status is known toTreatFailed=[deltas] # -the status is no not known toTreatUnknown=[] #name for progression algo_name="splitDeltas" def treatFailedCandidat(candidat): #treat a failing configuration self.report_progress(candidat, algo_name) # create subset cutSize=min(granularity, len(candidat)) ciTab=self.split(candidat, cutSize) cutAbleStatus=False for i in range(len(ciTab)): ci=ciTab[i] #test each subset status=self._test(ci ,nbRun) if status==self.FAIL: if len(ci)==1: #if the subset size is one the subset is a valid ddmin : treat as such self.configuration_found("ddmin%d"%(self.index), ci) #print("ddmin%d (%s):"%(self.index,self.coerce(ci))) self.index+=1 res.append(ci) else: #insert the subset in the begin of the failed task list toTreatFailed.insert(0,ci) #insert the remaining subsets to the unknown task list tail= ciTab[i+1:] tail.reverse() # to keep the same order for cip in tail: toTreatUnknown.insert(0,cip) return cutAbleStatus=True #the failing configuration is failing if cutAbleStatus==False: res.append(candidat) def treatUnknownStatusCandidat(candidat): #test the configuration : do nothing in case of success and add to the failed task list in case of success self.report_progress(candidat, algo_name+ "(unknownStatus)") status=self._test(candidat, nbRun) if status==self.FAIL: toTreatFailed.insert(0,candidat) else: pass # loop over tasks while len(toTreatFailed)!=0 or len(toTreatUnknown)!=0: unknownStatusSize=len(deltas) #to get a max if len(toTreatUnknown)!=0: unknownStatusSize=len(toTreatUnknown[0]) if len(toTreatFailed)==0: treatUnknownStatusCandidat(toTreatUnknown[0]) toTreatUnknown=toTreatUnknown[1:] continue #select the smallest candidat : in case of equality select a fail toTreatCandidat=toTreatFailed[0] if len(toTreatCandidat) <= unknownStatusSize: cutCandidat=toTreatCandidat toTreatFailed=toTreatFailed[1:] treatFailedCandidat(cutCandidat) else: treatUnknownStatusCandidat(toTreatUnknown[0]) toTreatUnknown=toTreatUnknown[1:] return res def SsplitDeltas(self, deltas, runTab, granularity):#runTab=splitTab ,granularity=2): #apply splitDeltas recussivly with increasing sample number (runTab) #remarks the remain treatment do not respect the binary split structure #name for progression algo_name="ssplitDelta" currentSplit=[deltas] for run in runTab: nextCurrent=[] for candidat in currentSplit: if len(candidat)==1: nextCurrent.append(candidat) continue self.report_progress(candidat,algo_name) res=self.splitDeltas(candidat,run, granularity) nextCurrent.extend(res) #the remainDeltas in recomputed from the wall list (indeed the set can increase with the apply ) flatNextCurrent=[flatItem for nextCurrentItem in nextCurrent for flatItem in nextCurrentItem] remainDeltas=[delta for delta in deltas if delta not in flatNextCurrent ] #apply split to remainDeltas self.report_progress(remainDeltas,algo_name) nextCurrent.extend(self.splitDeltas(remainDeltas, run, granularity)) currentSplit=nextCurrent return currentSplit def DRDDMin(self, deltas, SrunTab, dicRunTab, granularity):#SrunTab=rddMinTab, dicRunTab=splitTab, granularity=2): #name for progression algo_name="DRDDMin" #assert with the right nbRun number nbRun=SrunTab[-1] testResult=self._test(deltas,nbRun) if testResult!=self.FAIL: self.internalError("DRDDMIN", md5Name(deltas)+" should fail") #apply dichotomy candidats=self.SsplitDeltas(deltas,dicRunTab, granularity) print("Dichotomy split done: " + str([len(candidat) for candidat in candidats if len(candidat)!=1] )) res=[] for candidat in candidats: if len(candidat)==1: #is a valid ddmin res+=[candidat] deltas=[delta for delta in deltas if delta not in candidat] else: self.report_progress(candidat, algo_name) #we do not known id candidat is a valid ddmin (in case of sparse pattern) resTab=self.SRDDMin(candidat,SrunTab) for resMin in resTab: res+=[resMin] #add to res deltas=[delta for delta in deltas if delta not in resMin] #reduce search space print("Dichotomy split analyze done") #after the split filter a classic (s)rddmin is applied testResult=self._test(deltas,nbRun) if testResult!=self.FAIL: return res else: return res+self.SRDDMin(deltas, SrunTab) def SRDDMin(self, deltas,runTab):#runTab=rddMinTab): #name for progression algo_name="SRDDMin" #assert with the right nbRun number nbRun=runTab[-1] testResult=self._test(deltas,nbRun) if testResult!=self.FAIL: self.internalError("SRDDMIN", md5Name(deltas)+" should fail") ddminTab=[] nbMin=self._getSampleNumberToExpectFail(deltas) filteredRunTab=[x for x in runTab if x>=nbMin] if len(filteredRunTab)==0: filteredRunTab=[nbRun] #increasing number of run for run in filteredRunTab: testResult=self._test(deltas,run) #rddmin loop while testResult==self.FAIL: self.report_progress(deltas, algo_name) conf = self.verrou_dd_min(deltas,run) if len(conf)!=1: #may be not minimal due to number of run) for runIncValue in [x for x in runTab if x>run ]: conf = self.verrou_dd_min(conf,runIncValue) if len(conf)==1: break ddminTab += [conf] self.configuration_found("ddmin%d"%(self.index), conf) #print("ddmin%d (%s):"%(self.index,self.coerce(conf))) self.index+=1 #update search space deltas=[delta for delta in deltas if delta not in conf] #end test loop of rddmin testResult=self._test(deltas,nbRun) return ddminTab #Error Msg def emptySearchSpaceFailure(self): print("FAILURE : delta-debug search space is empty") failure() def searchSpaceGenerationFailure(self): print("The generation of exclusion/source files failed") failure() def fullPerturbationSucceedsFailure(self): print("FAILURE: nothing to debug (the run with all symbols activated succeed)") print("Suggestions:") print("\t1) check the correctness of the %s script : the failure criteria may be too large"%self.compare_) print("\t2) check if the number of samples (option --nruns=) is sufficient ") print("Directory to analyze: FullPerturbation") failure() def noPerturbationFailsFailure(self): print("FAILURE: the comparison between the reference (code instrumented with nearest mode) andthe code without instrumentation failed") print("Suggestions:") print("\t1) check if reproducibilty discrepancies are larger than the failure criteria of the script %s"%self.compare_) print("\t2) check the libm library is not instrumented") print("Directory to analyze: NoPerturbation") failure() def referenceFailsFailure(self): print("FAILURE: the reference is not valid ") print("Suggestions:") print("\t1) check the correctness of the %s script"%self.compare_) print("Files to analyze:") print("\t run output: " + os.path.join(self.ref_,"dd.out") + " " + os.path.join(self.ref_,"dd.err")) print("\t cmp output: " + os.path.join(self.ref_,"checkRef.out") + " "+ os.path.join(self.ref_,"checkRef.err")) failure() def referenceRunFailure(self): print("FAILURE: the reference run fails ") print("Suggestions:") print("\t1) check the correctness of the %s script"%self.run_) print("Files to analyze:") print("\t run output: " + os.path.join(self.ref_,"dd.out") + " " + os.path.join(self.ref_,"dd.err")) failure() def getDelta0(self): return self.loadDeltaFile(self.ref_, True) # with open(os.path.join(self.ref_ ,self.getDeltaFileName()), "r") as f: # return f.readlines() def genExcludeIncludeFile(self, dirname, deltas, include=False, exclude=False): """Generate the *.exclude and *.include file in dirname rep from deltas""" excludes=self.getDelta0() dd=self.getDeltaFileName() if include: with open(os.path.join(dirname,dd+".include"), "w") as f: for d in deltas: f.write(d+"\n") if exclude: with open(os.path.join(dirname,dd+".exclude"), "w") as f: for d in deltas: excludes.remove(d) for line in excludes: f.write(line+"\n") def _test(self, deltas,nbRun=None, earlyExit=True): if nbRun==None: nbRun=self.config_.get_nbRUN() # return self._testTab([deltas],[nbRun])[0] dirname=os.path.join(self.prefix_, md5Name(deltas)) if not os.path.exists(dirname): os.makedirs(dirname) self.genExcludeIncludeFile(dirname, deltas, include=True, exclude=True) vT=verrouTask(dirname, self.ref_, self.run_, self.compare_ ,nbRun, self.config_.get_maxNbPROC() , self.sampleRunEnv(dirname)) return vT.run(earlyExit=earlyExit) def _getSampleNumberToExpectFail(self, deltas): nbRun=self.config_.get_nbRUN() dirname=os.path.join(self.prefix_, md5Name(deltas)) if not os.path.exists(dirname): self.internalError("_getSampleNumberToExpectFail:", dirname+" should exist") vT=verrouTask(dirname,None, None, None ,None, None, None) p=vT.getEstimatedFailProbability() if p==1.: return 1 else: alpha=0.85 return int(min( math.ceil(math.log(1-alpha) / math.log(1-p)), nbRun)) def _testTab(self, deltasTab,nbRunTab=None): nbDelta=len(deltasTab) if nbRunTab==None: nbRunTab=[self.config_.get_nbRUN()]*nbDelta import concurrent.futures executor=concurrent.futures.ThreadPoolExecutor(max_workers=self.config_.get_maxNbPROC()) resTab=[None] *nbDelta taskTab=[None] *nbDelta indexCmp=[] futureCmpTab=[None] *nbDelta doCmpTab=[None] *nbDelta indexRun=[] futureRunTab=[None] *nbDelta workToDoTab=[None]*nbDelta for i in range(nbDelta): deltas=deltasTab[i] dirname=os.path.join(self.prefix_, md5Name(deltas)) if not os.path.exists(dirname): os.makedirs(dirname) self.genExcludeIncludeFile(dirname, deltas, include=True, exclude=True) #the node is there to avoid inner/outer parallelism taskTab[i]=verrouTask(dirname, self.ref_, self.run_, self.compare_ ,nbRunTab[i], None , self.sampleRunEnv(dirname),verbose=False) workToDo=taskTab[i].sampleToCompute(nbRunTab[i], earlyExit=True) workToDoTab[i]=workToDo if workToDo==None: resTab[i]=(taskTab[i].FAIL,"cache") taskTab[i].printDir() print(" --(/cache) -> FAIL") continue # print("WorkToDo", workToDo) cmpOnlyToDo=workToDo[0] runToDo=workToDo[1] cmpDone=workToDo[2] if len(cmpOnlyToDo)==0 and len(runToDo)==0: #evrything in cache resTab[i]=(taskTab[i].PASS,"cache") taskTab[i].printDir() print(" --(/cache) -> PASS("+ str(nbRunTab[i])+")") continue if len(cmpOnlyToDo)!=0: #launch Cmp asynchronously indexCmp+=[i] futureCmpTab[i]=[executor.submit(taskTab[i].cmpSeq, [cmpConf],False) for cmpConf in cmpOnlyToDo] continue if len(runToDo)!=0: #launch run asynchronously indexRun+=[i] futureRunTab[i]=[ executor.submit(taskTab[i].runSeq, [run],False) for run in runToDo ] continue print("error parallel") failure() for i in indexCmp: #wait cmp result workToDo=workToDoTab[i] cmpOnlyToDo, runToDo, cmpDone =workToDo[0],workToDo[1],workToDo[2] concurrent.futures.wait(futureCmpTab[i]) cmpResult=[future.result() for future in futureCmpTab[i]] if taskTab[i].FAIL in cmpResult: failIndex=cmpResult.index(taskTab[i].FAIL) resTab[i]=(taskTab[i].FAIL, "cmp") taskTab[i].printDir() print(" --(/cmp/) -> FAIL(%i)"%(cmpOnlyToDo[failIndex])) else: #launch run asynchronously (depending of cmp result) runToDo=workToDoTab[i][1] if len(runToDo)==0: resTab[i]=(taskTab[i].PASS,"cmp") taskTab[i].printDir() print(" --(/cmp/) -> PASS(+" + str(len(cmpOnlyToDo))+"->"+str(len(cmpDone) +len(cmpOnlyToDo))+")" ) continue else: futureRunTab[i]=[ executor.submit(taskTab[i].runSeq, [run], False) for run in runToDo] indexRun+=[i] continue for i in indexRun: #wait run result workToDo=workToDoTab[i] cmpOnlyToDo, runToDo, cmpDone =workToDo[0],workToDo[1],workToDo[2] concurrent.futures.wait(futureRunTab[i]) runResult=[future.result() for future in futureRunTab[i]] taskTab[i].printDir() if taskTab[i].FAIL in runResult: indexRun=runResult.index(taskTab[i].FAIL) resTab[i]=(taskTab[i].FAIL, "index//") print(" --(/run/) -> FAIL(%i)"%(runToDo[indexRun])) else: resTab[i]=(taskTab[i].PASS, "index//") print(" --(/run/) -> PASS(+" + str(len(runToDo))+"->"+str( len(cmpOnlyToDo) +len(cmpDone) +len(runToDo) )+")" ) #affichage à faire return [res[0] for res in resTab]
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verrou
verrou-master/pyTools/paraview_script.py
##### import the simple module from the paraview from paraview.simple import * #### disable automatic camera reset on 'Show' paraview.simple._DisableFirstRenderCameraReset() import os DATAPATH=os.environ["VERROU_PARAVIEW_DATA_PATH"] try: DATAPATH except NameError: print("Please set the DATAPATH variable with the full path to the directory that contains this script and the CSV files. Type: DATAPATH='/path/to/the_cvs_datasets/'") RemoveViewsAndLayouts() layout1 = CreateLayout() pathTime=DATAPATH+'/paraviewTime.csv' pathParam=DATAPATH+'/paraviewParam.csv' # create a new 'CSV Reader' timeCsv = CSVReader(FileName=[pathTime], FieldDelimiterCharacters="\t") paramCsv = CSVReader(FileName=[pathParam], FieldDelimiterCharacters="\t") keyInput=((open(pathParam)).readline().strip()).split("\t") #rangeInput=[ line.split("\t")[0] for line in open(pathParam).readlines()] timeIndex=((open(pathTime)).readline().strip()).split("\t")[1:] keyIndex=[(line.split("\t"))[0] for line in ((open(pathTime)).readlines())][1:] transposeTable1 = TransposeTable(Input=timeCsv) transposeTable1.VariablesofInterest=timeIndex transposeTable1.Addacolumnwithoriginalcolumnsname = 0 lineChartView1=CreateView("XYFunctionalBagChartView") lineDisplay= Show(transposeTable1, lineChartView1) lineDisplay.AttributeType= 'Row Data' rangeIn=[x for x in lineDisplay.SeriesLabel ] nbSample=len(keyIndex) if len(rangeIn)!=2*nbSample: print("Incoherent size") sys.exit() for i in range(nbSample): rangeIn[2*i+1]=keyIndex[i] lineDisplay.SeriesLabel= rangeIn lineDisplay.SeriesVisibility= rangeIn SetActiveSource(transposeTable1) layout1.SplitVertical(0, 0.5) # Create a new 'Parallel Coordinates View' parallelCoordinatesView1 = CreateView('ParallelCoordinatesChartView') input_parameterscsvDisplay = Show(paramCsv, parallelCoordinatesView1) # trace defaults for the display properties. input_parameterscsvDisplay.CompositeDataSetIndex = 0 input_parameterscsvDisplay.FieldAssociation = 'Row Data' input_parameterscsvDisplay.SeriesVisibility = keyInput # Properties modified on campbell_1d_input_parameterscsvDisplay input_parameterscsvDisplay.SeriesVisibility = keyInput #### uncomment the following to render all views RenderAllViews()
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verrou
verrou-master/pyTools/rounding_tool.py
#!/usr/bin/python3 import sys roundingDetTab=["nearest","upward","downward", "toward_zero", "away_zero","farthest","float","ftz"] roundingNonDetTab=[x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"]] +[x+y for x in ["random", "average"] for y in ["_scomdet"]]+["sr_monotonic"] allRoundingTab=roundingDetTab+roundingNonDetTab def filterNonDetTab(roundingTab): validTab=list(filter(isValidRounding, roundingTab )) return list(filter(lambda x: not (x in roundingDetTab), validTab )) def filterDetRoundingTab(roundingTab): return list(filter(lambda x: x in roundingDetTab, roundingTab )) def isValidRounding(rounding): return roundingToEnvVar(rounding,failure=False)!=None def isStrFloat(strFloat): try: value=float(strFloat) except: return False return True def isValidRef(strRounding): if isValidRounding(strRounding): return True return isStrFloat(strRounding) def roundingToEnvVar(rounding, res={}, failure=True): for prand in ["prandom_det", "prandom_comdet", "prandom"]: if rounding.startswith(prand): if rounding in ["prandom_det", "prandom_comdet", "prandom"]: res.update({"VERROU_ROUNDING_MODE":rounding,"VERROU_PRANDOM_UPDATE":"none"}) return res rest=rounding.replace(prand,"") if rest.startswith("_"): rest=rest[1:] if rest=="func": res.update({"VERROU_ROUNDING_MODE":prand, "VERROU_PRANDOM_UPDATE":"func"}) return res try: value=float(rest) res.update({"VERROU_ROUNDING_MODE":prand, "VERROU_PRANDOM_PVALUE":rest}) return res except: if failure: print("No valid prandom rounding specification : ", rounding ) sys.exit(42) else: return None else: if failure: print("No valid prandom rounding : ",rounding) sys.exit(42) else: return None if rounding.startswith("mca"): mcaConfig=rounding.split("-")[1:] mode=mcaConfig[0] doublePrec=mcaConfig[1] floatPrec=mcaConfig[2] envvars={"VERROU_BACKEND":"mcaquad", "VERROU_MCA_MODE":mode, "VERROU_MCA_PRECISION_DOUBLE": doublePrec, "VERROU_MCA_PRECISION_FLOAT": floatPrec} res.update(envvars) return res if rounding in roundingDetTab + roundingNonDetTab: res.update({"VERROU_ROUNDING_MODE":rounding }) return res if failure: print("No valid rounding : ",rounding) sys.exit(42) else: return None
2,865
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verrou
verrou-master/pyTools/DD.py
#!/usr/bin/env python3 # $Id: DD.py,v 1.2 2001/11/05 19:53:33 zeller Exp $ # Enhanced Delta Debugging class # Copyright (c) 1999, 2000, 2001 Andreas Zeller. # This module (written in Python) implements the base delta debugging # algorithms and is at the core of all our experiments. This should # easily run on any platform and any Python version since 1.6. # # To plug this into your system, all you have to do is to create a # subclass with a dedicated `test()' method. Basically, you would # invoke the DD test case minimization algorithm (= the `ddmin()' # method) with a list of characters; the `test()' method would combine # them to a document and run the test. This should be easy to realize # and give you some good starting results; the file includes a simple # sample application. # # This file is in the public domain; feel free to copy, modify, use # and distribute this software as you wish - with one exception. # Passau University has filed a patent for the use of delta debugging # on program states (A. Zeller: `Isolating cause-effect chains', # Saarland University, 2001). The fact that this file is publicly # available does not imply that I or anyone else grants you any rights # related to this patent. # # The use of Delta Debugging to isolate failure-inducing code changes # (A. Zeller: `Yesterday, my program worked', ESEC/FSE 1999) or to # simplify failure-inducing input (R. Hildebrandt, A. Zeller: # `Simplifying failure-inducing input', ISSTA 2000) is, as far as I # know, not covered by any patent, nor will it ever be. If you use # this software in any way, I'd appreciate if you include a citation # such as `This software uses the delta debugging algorithm as # described in (insert one of the papers above)'. # # All about Delta Debugging is found at the delta debugging web site, # # http://www.st.cs.uni-sb.de/dd/ # # Happy debugging, # # Andreas Zeller import sys import os # Start with some helpers. class OutcomeCache: # This class holds test outcomes for configurations. This avoids # running the same test twice. # The outcome cache is implemented as a tree. Each node points # to the outcome of the remaining list. # # Example: ([1, 2, 3], PASS), ([1, 2], FAIL), ([1, 4, 5], FAIL): # # (2, FAIL)--(3, PASS) # / # (1, None) # \ # (4, None)--(5, FAIL) def __init__(self): self.tail = {} # Points to outcome of tail self.result = None # Result so far def add(self, c, result): """Add (C, RESULT) to the cache. C must be a list of scalars.""" cs = c[:] cs.sort() p = self for start in range(len(c)): if not c[start] in p.tail: p.tail[c[start]] = OutcomeCache() p = p.tail[c[start]] p.result = result def lookup(self, c): """Return RESULT if (C, RESULT) is in the cache; None, otherwise.""" p = self for start in range(len(c)): if not c[start] in p.tail: return None p = p.tail[c[start]] return p.result def lookup_superset(self, c, start = 0): """Return RESULT if there is some (C', RESULT) in the cache with C' being a superset of C or equal to C. Otherwise, return None.""" # FIXME: Make this non-recursive! if start >= len(c): if self.result: return self.result elif self.tail != {}: # Select some superset superset = self.tail[self.tail.keys()[0]] return superset.lookup_superset(c, start + 1) else: return None if c[start] in self.tail: return self.tail[c[start]].lookup_superset(c, start + 1) # Let K0 be the largest element in TAIL such that K0 <= C[START] k0 = None for k in self.tail.keys(): if (k0 == None or k > k0) and k <= c[start]: k0 = k if k0 != None: return self.tail[k0].lookup_superset(c, start) return None def lookup_subset(self, c): """Return RESULT if there is some (C', RESULT) in the cache with C' being a subset of C or equal to C. Otherwise, return None.""" p = self for start in range(len(c)): if c[start] in p.tail: p = p.tail[c[start]] return p.result # Test the outcome cache def oc_test(): oc = OutcomeCache() assert oc.lookup([1, 2, 3]) == None oc.add([1, 2, 3], 4) assert oc.lookup([1, 2, 3]) == 4 assert oc.lookup([1, 2, 3, 4]) == None assert oc.lookup([5, 6, 7]) == None oc.add([5, 6, 7], 8) assert oc.lookup([5, 6, 7]) == 8 assert oc.lookup([]) == None oc.add([], 0) assert oc.lookup([]) == 0 assert oc.lookup([1, 2]) == None oc.add([1, 2], 3) assert oc.lookup([1, 2]) == 3 assert oc.lookup([1, 2, 3]) == 4 assert oc.lookup_superset([1]) == 3 or oc.lookup_superset([1]) == 4 assert oc.lookup_superset([1, 2]) == 3 or oc.lookup_superset([1, 2]) == 4 assert oc.lookup_superset([5]) == 8 assert oc.lookup_superset([5, 6]) == 8 assert oc.lookup_superset([6, 7]) == 8 assert oc.lookup_superset([7]) == 8 assert oc.lookup_superset([]) != None assert oc.lookup_superset([9]) == None assert oc.lookup_superset([7, 9]) == None assert oc.lookup_superset([-5, 1]) == None assert oc.lookup_superset([1, 2, 3, 9]) == None assert oc.lookup_superset([4, 5, 6, 7]) == None assert oc.lookup_subset([]) == 0 assert oc.lookup_subset([1, 2, 3]) == 4 assert oc.lookup_subset([1, 2, 3, 4]) == 4 assert oc.lookup_subset([1, 3]) == None assert oc.lookup_subset([1, 2]) == 3 assert oc.lookup_subset([-5, 1]) == None assert oc.lookup_subset([-5, 1, 2]) == 3 assert oc.lookup_subset([-5]) == 0 # Main Delta Debugging algorithm. class DD: # Delta debugging base class. To use this class for a particular # setting, create a subclass with an overloaded `test()' method. # # Main entry points are: # - `ddmin()' which computes a minimal failure-inducing configuration, and # - `dd()' which computes a minimal failure-inducing difference. # # See also the usage sample at the end of this file. # # For further fine-tuning, you can implement an own `resolve()' # method (tries to add or remove configuration elements in case of # inconsistencies), or implement an own `split()' method, which # allows you to split configurations according to your own # criteria. # # The class includes other previous delta debugging alorithms, # which are obsolete now; they are only included for comparison # purposes. # Test outcomes. PASS = "PASS" FAIL = "FAIL" UNRESOLVED = "UNRESOLVED" # Resolving directions. ADD = "ADD" # Add deltas to resolve REMOVE = "REMOVE" # Remove deltas to resolve # Debugging output (set to 1 to enable) debug_test = 0 debug_dd = 0 debug_split = 0 debug_resolve = 0 def __init__(self): self.__resolving = 0 self.__last_reported_length = 0 self.monotony = 0 self.outcome_cache = OutcomeCache() self.cache_outcomes = 1 self.minimize = 1 self.maximize = 1 self.assume_axioms_hold = 1 # Helpers def __listminus(self, c1, c2): """Return a list of all elements of C1 that are not in C2.""" s2 = {} for delta in c2: s2[delta] = 1 c = [] for delta in c1: if not delta in s2: c.append(delta) return c def __listintersect(self, c1, c2): """Return the common elements of C1 and C2.""" s2 = {} for delta in c2: s2[delta] = 1 c = [] for delta in c1: if delta in s2: c.append(delta) return c def __listunion(self, c1, c2): """Return the union of C1 and C2.""" s1 = {} for delta in c1: s1[delta] = 1 c = c1[:] for delta in c2: if not delta in s1: c.append(delta) return c def __listsubseteq(self, c1, c2): """Return 1 if C1 is a subset or equal to C2.""" s2 = {} for delta in c2: s2[delta] = 1 for delta in c1: if not delta in s2: return 0 return 1 # Output def coerce(self, c): """Return the configuration C as a compact string""" # Default: use printable representation return repr(c) def pretty(self, c): """Like coerce(), but sort beforehand""" sorted_c = c[:] sorted_c.sort() return self.coerce(sorted_c) # Testing def test(self, c): """Test the configuration C. Return PASS, FAIL, or UNRESOLVED""" #c.sort() # If we had this test before, return its result if self.cache_outcomes: cached_result = self.outcome_cache.lookup(c) if cached_result != None: return cached_result if self.monotony: # Check whether we had a passing superset of this test before cached_result = self.outcome_cache.lookup_superset(c) if cached_result == self.PASS: return self.PASS cached_result = self.outcome_cache.lookup_subset(c) if cached_result == self.FAIL: return self.FAIL if self.debug_test: print() print("test(" + self.coerce(c) + ")...") outcome = self._test(c) if self.debug_test: print("test(" + self.coerce(c) + ") = " + repr(outcome)) if self.cache_outcomes: self.outcome_cache.add(c, outcome) return outcome def _test(self, c): """Stub to overload in subclasses""" return self.UNRESOLVED # Placeholder # Splitting def split(self, c, n): """Split C into [C_1, C_2, ..., C_n].""" if self.debug_split: print("split(" + self.coerce(c) + ", " + repr(n) + ")...") outcome = self._split(c, n) if self.debug_split: print( "split(" + self.coerce(c) + ", " + repr(n) + ") = " + repr(outcome)) return outcome def _split(self, c, n): """Stub to overload in subclasses""" subsets = [] start = 0 for i in range(n): subset = c[start:start + (len(c) - start) // (n - i)] subsets.append(subset) start = start + len(subset) return subsets # Resolving def resolve(self, csub, c, direction): """If direction == ADD, resolve inconsistency by adding deltas to CSUB. Otherwise, resolve by removing deltas from CSUB.""" if self.debug_resolve: print("resolve(" + repr(csub) + ", " + self.coerce(c) + ", " + \ repr(direction) + ")...") outcome = self._resolve(csub, c, direction) if self.debug_resolve: print("resolve(" + repr(csub) + ", " + self.coerce(c) + ", " + \ repr(direction) + ") = " + repr(outcome)) return outcome def _resolve(self, csub, c, direction): """Stub to overload in subclasses.""" # By default, no way to resolve return None # Test with fixes def test_and_resolve(self, csub, r, c, direction): """Repeat testing CSUB + R while unresolved.""" initial_csub = csub[:] c2 = self.__listunion(r, c) csubr = self.__listunion(csub, r) t = self.test(csubr) # necessary to use more resolving mechanisms which can reverse each # other, can (but needn't) be used in subclasses self._resolve_type = 0 while t == self.UNRESOLVED: self.__resolving = 1 csubr = self.resolve(csubr, c, direction) if csubr == None: # Nothing left to resolve break if len(csubr) >= len(c2): # Added everything: csub == c2. ("Upper" Baseline) # This has already been tested. csubr = None break if len(csubr) <= len(r): # Removed everything: csub == r. (Baseline) # This has already been tested. csubr = None break t = self.test(csubr) self.__resolving = 0 if csubr == None: return self.UNRESOLVED, initial_csub # assert t == self.PASS or t == self.FAIL csub = self.__listminus(csubr, r) return t, csub # Inquiries def resolving(self): """Return 1 while resolving.""" return self.__resolving # Logging def report_progress(self, c, title): if len(c) != self.__last_reported_length: print() print(title + ": " + repr(len(c)) + " deltas left:", self.coerce(c)) self.__last_reported_length = len(c) # Delta Debugging (old ESEC/FSE version) def old_dd(self, c, r = [], n = 2): """Return the failure-inducing subset of C""" assert self.test([]) == dd.PASS assert self.test(c) == dd.FAIL if self.debug_dd: print ("dd(" + self.pretty(c) + ", " + repr(r) + ", " + repr(n) + ")...") outcome = self._old_dd(c, r, n) if self.debug_dd: print ("dd(" + self.pretty(c) + ", " + repr(r) + ", " + repr(n) + ") = " + repr(outcome)) return outcome def test_mix(self, csub, c, direction): if self.minimize: (t, csub) = self.test_and_resolve(csub, [], c, direction) if t == self.FAIL: return (t, csub) if self.maximize: csubbar = self.__listminus(self.CC, csub) cbar = self.__listminus(self.CC, c) if direction == self.ADD: directionbar = self.REMOVE else: directionbar = self.ADD (tbar, csubbar) = self.test_and_resolve(csubbar, [], cbar, directionbar) csub = self.__listminus(self.CC, csubbar) if tbar == self.PASS: t = self.FAIL elif tbar == self.FAIL: t = self.PASS else: t = self.UNRESOLVED return (t, csub) # Delta Debugging (new ISSTA version) def ddgen(self, c, minimize, maximize): """Return a 1-minimal failing subset of C""" self.minimize = minimize self.maximize = maximize n = 2 self.CC = c if self.debug_dd: print ("dd(" + self.pretty(c) + ", " + repr(n) + ")...") outcome = self._dd(c, n) if self.debug_dd: print ("dd(" + self.pretty(c) + ", " + repr(n) + ") = " + repr(outcome)) return outcome def _dd(self, c, n): """Stub to overload in subclasses""" testNoDelta=self.test([]) if testNoDelta!=self.PASS: self.internalError("_dd", "ERROR: test([]) == FAILED") # assert self.test([]) == self.PASS run = 1 cbar_offset = 0 # We replace the tail recursion from the paper by a loop while 1: tc = self._test(c) if tc != self.FAIL and tc != self.UNRESOLVED: self.internalError("_dd","test([all deltas]) == PASS") if n > len(c): # No further minimizing print ("dd: done") return c self.report_progress(c, "dd") cs = self.split(c, n) print () print ("dd (run #" + repr(run) + "): trying", "+".join([repr(len(cs[i])) for i in range(n)] ) ) c_failed = 0 cbar_failed = 0 next_c = c[:] next_n = n # Check subsets for i in range(n): if self.debug_dd: print ("dd: trying", self.pretty(cs[i])) (t, cs[i]) = self.test_mix(cs[i], c, self.REMOVE) if t == self.FAIL: # Found if self.debug_dd: print ("dd: found", len(cs[i]), "deltas:",) print (self.pretty(cs[i])) c_failed = 1 next_c = cs[i] next_n = 2 cbar_offset = 0 self.report_progress(next_c, "dd") break if not c_failed: # Check complements cbars = n * [self.UNRESOLVED] # print "cbar_offset =", cbar_offset for j in range(n): i = (j + cbar_offset) % n cbars[i] = self.__listminus(c, cs[i]) t, cbars[i] = self.test_mix(cbars[i], c, self.ADD) doubled = self.__listintersect(cbars[i], cs[i]) if doubled != []: cs[i] = self.__listminus(cs[i], doubled) if t == self.FAIL: if self.debug_dd: print ("dd: reduced to", len(cbars[i]),) print ("deltas:", end="") print (self.pretty(cbars[i])) cbar_failed = 1 next_c = self.__listintersect(next_c, cbars[i]) next_n = next_n - 1 self.report_progress(next_c, "dd") # In next run, start removing the following subset cbar_offset = i break if not c_failed and not cbar_failed: if n >= len(c): # No further minimizing print ("dd: done") return c next_n = min(len(c), n * 2) print ("dd: increase granularity to", next_n) cbar_offset = (cbar_offset * next_n) // n c = next_c n = next_n run = run + 1 def verrou_dd_max(self, c): """Stub to overload in subclasses""" self.maximize=1 self.minimize=0 n = 2 self.CC = c algo_name="dd_max" testNoDelta=self.test([]) if testNoDelta!=self.PASS: self.internalError("verrou_dd_max","ERROR: test([]) == FAILED") run = 1 cbar_offset = 0 # We replace the tail recursion from the paper by a loop while 1: tc = self.test(c) if tc != self.FAIL and tc != self.UNRESOLVED: self.internalError("verrou_dd_max","test([all deltas]) == PASS") if n > len(c): # No further minimizing print (algo_name+": done") return c self.report_progress(c, algo_name) cs = self.split(c, n) print () print (algo_name+" (run #" + repr(run) + "): trying", "+".join([repr(len(cs[i])) for i in range(n)] ) ) c_failed = 0 cbar_failed = 0 next_c = c[:] next_n = n if not c_failed: # Check complements cbars = n * [self.UNRESOLVED] # print "cbar_offset =", cbar_offset for j in range(n): i = (j + cbar_offset) % n cbars[i] = self.__listminus(c, cs[i]) t, cbars[i] = self.test_mix(cbars[i], c, self.ADD) doubled = self.__listintersect(cbars[i], cs[i]) if doubled != []: cs[i] = self.__listminus(cs[i], doubled) if t == self.FAIL: if self.debug_dd: print (algo_name+": reduced to", len(cbars[i]),) print ("deltas:", end="") print (self.pretty(cbars[i])) cbar_failed = 1 next_c = self.__listintersect(next_c, cbars[i]) next_n = next_n - 1 self.report_progress(next_c, algo_name) # In next run, start removing the following subset cbar_offset = i break if not c_failed and not cbar_failed: if n >= len(c): # No further minimizing print (algo_name+": done") return c next_n = min(len(c), n * 2) print (algo_name+": increase granularity to", next_n) cbar_offset = (cbar_offset * next_n) // n c = next_c n = next_n run = run + 1 def verrou_dd_min(self, c , nbRun): """Stub to overload in subclasses""" n = 2 algo_name="ddmin" testNoDelta=self._test([],nbRun) if testNoDelta!=self.PASS: self.internalError("verrou_dd_min","ERROR: test([]) == FAILED") run = 1 cbar_offset = 0 # We replace the tail recursion from the paper by a loop while 1: tc = self._test(c ,nbRun) if tc != self.FAIL and tc != self.UNRESOLVED: self.internalError("verrou_dd_min","ERROR: test([all deltas]) == PASS") if n > len(c): # No further minimizing print (algo_name+": done") return c self.report_progress(c, algo_name) cs = self.split(c, n) print () print (algo_name+" (run #" + repr(run) + "): trying", "+".join([repr(len(cs[i])) for i in range(n)] ) ) c_failed = False cbar_failed = False next_c = c[:] next_n = n # Check subsets for i in range(n): if self.debug_dd: print (algo_name+": trying", self.pretty(cs[i])) t = self._test(cs[i],nbRun) if t == self.FAIL: # Found if self.debug_dd: print (algo_name+": found", len(cs[i]), "deltas:",) print (self.pretty(cs[i])) c_failed = True next_c = cs[i] next_n = 2 cbar_offset = 0 self.report_progress(next_c, algo_name) break if not c_failed: # Check complements cbars = n * [self.UNRESOLVED] # print "cbar_offset =", cbar_offset for j in range(n): i = (j + cbar_offset) % n cbars[i] = self.__listminus(c, cs[i]) t = self._test(cbars[i],nbRun) if t == self.FAIL: if self.debug_dd: print (algo_name+": reduced to", len(cbars[i]),) print ("deltas:", end="") print (self.pretty(cbars[i])) cbar_failed = True next_c = cbars[i] next_n = next_n - 1 self.report_progress(next_c, algo_name) # In next run, start removing the following subset cbar_offset = i break if not c_failed and not cbar_failed: if n >= len(c): # No further minimizing print (algo_name+": done") return c next_n = min(len(c), n * 2) print (algo_name+": increase granularity to", next_n) cbar_offset = (cbar_offset * next_n) // n c = next_c n = next_n run = run + 1 def ddmin(self, c): return self.ddgen(c, 1, 0) def ddmax(self, c): return self.ddgen(c, 0, 1) def ddmix(self, c): return self.ddgen(c, 1, 1) def internalError(self, func, msg): raise AssertionError(func +"\t"+ msg) # General delta debugging (new TSE version) def dddiff(self, c): n = 2 if self.debug_dd: print ("dddiff(" + self.pretty(c) + ", " + repr(n) + ")...") outcome = self._dddiff([], c, n) if self.debug_dd: print ("dddiff(" + self.pretty(c) + ", " + repr(n) + ") = " + repr(outcome)) return outcome def _dddiff(self, c1, c2, n): run = 1 cbar_offset = 0 # We replace the tail recursion from the paper by a loop while 1: if self.debug_dd: print ("dd: c1 =", self.pretty(c1)) print ("dd: c2 =", self.pretty(c2)) if self.assume_axioms_hold: t1 = self.PASS t2 = self.FAIL else: t1 = self.test(c1) t2 = self.test(c2) assert t1 == self.PASS assert t2 == self.FAIL assert self.__listsubseteq(c1, c2) c = self.__listminus(c2, c1) if self.debug_dd: print ("dd: c2 - c1 =", self.pretty(c)) if n > len(c): # No further minimizing print ("dd: done") return (c, c1, c2) self.report_progress(c, "dd") cs = self.split(c, n) print () print ("dd (run #" + repr(run) + "): trying",) for i in range(n): if i > 0: print ("+",) print (len(cs[i]),) print () progress = 0 next_c1 = c1[:] next_c2 = c2[:] next_n = n # Check subsets for j in range(n): i = (j + cbar_offset) % n if self.debug_dd: print ("dd: trying", self.pretty(cs[i])) (t, csub) = self.test_and_resolve(cs[i], c1, c, self.REMOVE) csub = self.__listunion(c1, csub) if t == self.FAIL and t1 == self.PASS: # Found progress = 1 next_c2 = csub next_n = 2 cbar_offset = 0 if self.debug_dd: print ("dd: reduce c2 to", len(next_c2), "deltas:",) print (self.pretty(next_c2)) break if t == self.PASS and t2 == self.FAIL: # Reduce to complement progress = 1 next_c1 = csub next_n = max(next_n - 1, 2) cbar_offset = i if self.debug_dd: print ("dd: increase c1 to", len(next_c1), "deltas:",) print (self.pretty(next_c1)) break csub = self.__listminus(c, cs[i]) (t, csub) = self.test_and_resolve(csub, c1, c, self.ADD) csub = self.__listunion(c1, csub) if t == self.PASS and t2 == self.FAIL: # Found progress = 1 next_c1 = csub next_n = 2 cbar_offset = 0 if self.debug_dd: print ("dd: increase c1 to", len(next_c1), "deltas:",) print (self.pretty(next_c1)) break if t == self.FAIL and t1 == self.PASS: # Increase progress = 1 next_c2 = csub next_n = max(next_n - 1, 2) cbar_offset = i if self.debug_dd: print ("dd: reduce c2 to", len(next_c2), "deltas:",) print (self.pretty(next_c2)) break if progress: self.report_progress(self.__listminus(next_c2, next_c1), "dd") else: if n >= len(c): # No further minimizing print ("dd: done") return (c, c1, c2) next_n = min(len(c), n * 2) print ("dd: increase granularity to", next_n) cbar_offset = (cbar_offset * next_n) // n c1 = next_c1 c2 = next_c2 n = next_n run = run + 1 def dd(self, c): return self.dddiff(c) # Backwards compatibility if __name__ == '__main__': # Test the outcome cache oc_test() # Define our own DD class, with its own test method class MyDD(DD): def _test_a(self, c): "Test the configuration C. Return PASS, FAIL, or UNRESOLVED." # Just a sample # if 2 in c and not 3 in c: # return self.UNRESOLVED # if 3 in c and not 7 in c: # return self.UNRESOLVED if 7 in c and not 2 in c: return self.UNRESOLVED if 5 in c and 8 in c: return self.FAIL return self.PASS def _test_b(self, c): if c == []: return self.PASS if 1 in c and 2 in c and 3 in c and 4 in c and \ 5 in c and 6 in c and 7 in c and 8 in c: return self.FAIL return self.UNRESOLVED def _test_c(self, c): if 1 in c and 2 in c and 3 in c and 4 in c and \ 6 in c and 8 in c: if 5 in c and 7 in c: return self.UNRESOLVED else: return self.FAIL if 1 in c or 2 in c or 3 in c or 4 in c or \ 6 in c or 8 in c: return self.UNRESOLVED return self.PASS def __init__(self): self._test = self._test_c DD.__init__(self) print ("WYNOT - a tool for delta debugging.") mydd = MyDD() # mydd.debug_test = 1 # Enable debugging output # mydd.debug_dd = 1 # Enable debugging output # mydd.debug_split = 1 # Enable debugging output # mydd.debug_resolve = 1 # Enable debugging output # mydd.cache_outcomes = 0 # mydd.monotony = 0 print ("Minimizing failure-inducing input...") c = mydd.ddmin([1, 2, 3, 4, 5, 6, 7, 8]) # Invoke DDMIN print ("The 1-minimal failure-inducing input is", c) print ("Removing any element will make the failure go away.") print () print ("Computing the failure-inducing difference...") (c, c1, c2) = mydd.dd([1, 2, 3, 4, 5, 6, 7, 8]) # Invoke DD print ("The 1-minimal failure-inducing difference is", c) print (c1, "passes,", c2, "fails") # Local Variables: # mode: python # End:
31,416
29.710655
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py
verrou
verrou-master/pyTools/post_config.py
import getopt import os import sys import re import copy from . import gen_config from . import rounding_tool class postConfig(gen_config.gen_config): def __init__(self, argv, environ,config_keys=["POST"]): super().__init__(argv,environ, config_keys) self.normalize() self.check_instr_tab() self.check_trace_file() def registerOptions(self): self.addRegistry("nbRUN", "int", "NRUNS", ["--nruns="], 5) self.addRegistry("maxNbPROC", "int", "NUM_THREADS", ["--num-threads="], None) self.addRegistry("ddQuiet", "bool", "QUIET", ["--quiet"], False) self.addRegistry("rep", "string", "REP", ["--rep="], "dd.line", "rep_exists") self.addRegistry("sub_rep", "string", "CONFIGURATION",["--sub-rep=","--configuration="], [] , "rep_exists", additive=True) self.addRegistry("instr" , "string", "INSTR", ["--instr="], [] , additive=True) self.addRegistry("rounding", "string", "ROUNDING_LIST", ["--rounding-list=","--rounding=","--rounding-mode"] , [], additive=True, docStr="rounding mode list (coma separated) [default rounding in run.sh]") self.addRegistry("trace_bin", "bool", "TRACE_BIN", ["--trace-bin"], False) self.addRegistry("trace_pattern","string", "TRACE_PATTERN", ["--trace-pattern="], [], additive=True) self.addRegistry("trace_file", "string", "TRACE_FILE", ["--trace-file="], None) def usageCmd(self): print("Usage: "+ os.path.basename(sys.argv[0]) + " [options] runScript cmpScript") print(self.get_EnvDoc(self.config_keys[-1])) print("Valid rounding modes are:") print("\t", ",".join(rounding_tool.roundingDetTab )) print("\t", ",".join(rounding_tool.roundingNonDetTab )) print("\t", ",".join(["mca-rr-53-24", "mca-pb-53-24", "mca-mca-53-24"]) , "(53 and 24 can be modified)") print("\t det is an alias to "+",".join([x for x in rounding_tool.roundingDetTab if x not in ["float","ftz"]])) print("\t no_det is an alias to "+",".join(["random","average", "prandom"])) def normalize(self): self.rep=os.path.abspath(self.rep) if self.trace_file!=None: self.trace_file=os.path.abspath(self.trace_file) for r in self.rounding: if "," in r: splitR=r.split(",") self.rounding.remove(r) self.rounding+=splitR if "det" in self.rounding: self.rounding.remove("det") self.rounding+=[x for x in rounding_tool.roundingDetTab if x !="float" and x!="ftz" ] if "no_det" in self.rounding: self.rounding.remove("no_det") self.rounding+=["random","average", "prandom"] #check valid rounding for r in self.rounding: runEnv=rounding_tool.roundingToEnvVar(r,{}) self.runScript=self.exec_arg[0] self.cmpScript=self.exec_arg[1] def check_instr_tab(self): for instrConfig in self.instr: for instr in instrConfig.split(","): validInstrTab=["add","sub", "mul","div", "mAdd", "mSub", "sqrt","conv"] if instr not in validInstrTab: print("%s is not a valid instr configuration."%(instr)) print("%s should be a coma separated list of element of %s"%(instrConfig, str(validInstrTab))) self.usageCmd() self.failure() def check_trace_file(self): if self.trace_file !=None and (self.trace_pattern!=[] or self.trace_bin): print("--trace_file is incompatible with trace_pattern and trace_bin option") self.failure() """Basic check : not valid file could sucessed""" if self.trace_file!=None: numLine=0 for line in (open(self.trace_file)).readlines(): numLine+=1 spline=line.strip() if spline.startswith("#") or spline=="": continue if not (" " in spline) and not("\t" in spline): print("%s is not a valid trace file"%(self.trace_file)) print("%s line %i is not valid"%(spline, numLine)) self.usageCmd() self.failure() #accessors def get_maxNbPROC(self): return self.maxNbPROC def get_nbRUN(self): return self.nbRUN def get_quiet(self): return self.ddQuiet def get_runScript(self): return self.runScript def get_cmpScript(self): return self.cmpScript def get_rep(self): return self.rep def get_rep_sub_rep(self): if self.sub_rep==[]: return {self.rep:self.findDDmin(self.rep)} else: res={} for sub_rep in self.sub_rep: sub_rep=os.path.abspath(sub_rep) rep=os.path.dirname(sub_rep) if rep in res: res[rep]+=[sub_rep] else: if os.path.isdir(os.path.join(rep,"ref")): res[rep]=[sub_rep] else: print("sub_rep %s is not a valid"%(sub_rep)) self.usageCmd() self.failure() return res def get_instr(self): if self.instr==[]: return [""] else: return self.instr def getNonDetTab(self): if self.rounding==[]: return [""] return rounding_tool.filterNonDetTab(self.rounding) def getDetTab(self): return rounding_tool.filterDetRoundingTab(self.rounding) def get_trace_bin(self): return self.trace_bin def get_trace_pattern(self): return self.trace_pattern def get_trace_file(self): return self.trace_file def get_trace(self): if self.trace_bin==True: return True if self.trace_pattern!=[]: return True if self.trace_file!=None: return True return False def findDDmin(self, rep): ddminList=[os.path.abspath(os.path.join(rep,x)) for x in os.listdir(rep) if (re.match("^ddmin[0-9]+$",x) or x=="rddmin-cmp") or x=="FullPerturbation" or x=="NoPerturbation"] return ddminList
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verrou
verrou-master/pyTools/dd_config.py
# This file is part of Verrou, a FPU instrumentation tool. # Copyright (C) 2014-2021 EDF # F. Févotte <francois.fevotte@edf.fr> # B. Lathuilière <bruno.lathuiliere@edf.fr> # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation; either version 2.1 of the # License, or (at your option) any later version. # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # General Public License for more details. # You should have received a copy of the GNU Lesser General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA # 02111-1307, USA. # The GNU Lesser General Public License is contained in the file COPYING. import os import math import sys import getopt from . import gen_config def exponentialRange(nbRun): tab=[int(nbRun / (2**i)) for i in range(1+int(math.floor(math.log(nbRun,2)))) ] tab.reverse() return tab class ddConfig(gen_config.gen_config): def __init__(self, argv, environ,config_keys=["INTERFLOP"]): super().__init__(argv, environ, config_keys) self.normalizeOptions() self.runScript=self.exec_arg[0] self.cmpScript=self.exec_arg[1] def registerOptions(self): self.addRegistry("nbRUN", "int", "DD_NRUNS", ["--nruns="], 5, None) self.addRegistry("maxNbPROC", "int", "DD_NUM_THREADS", ["--num-threads="], None, None) self.addRegistry("ddAlgo", "string", "DD_ALGO", ["--algo="], "rddmin", ["ddmax", "rddmin"]) self.addRegistry("rddminVariant", "string", "DD_RDDMIN", ["--rddmin="], "d", ["s", "stoch", "d", "dicho", "", "strict"]) self.addRegistry("param_rddmin_tab", "string", "DD_RDDMIN_TAB", ["--rddmin-tab="], "exp", ["exp", "all", "single"]) self.addRegistry("param_dicho_tab", "int/string", "DD_DICHO_TAB" , ["--dicho-tab="], "half", ["exp", "all", "half", "single"]) self.addRegistry("splitGranularity", "int", "DD_DICHO_GRANULARITY", ["--dicho-granularity="], 2, None) self.addRegistry("ddQuiet", "bool", "DD_QUIET", ["--quiet"], False, None) self.addRegistry("cache", "string", "DD_CACHE" , ["--cache="] , "continue",["clean", "rename", "rename_keep_result","keep_run", "continue"]) self.addRegistry("rddminHeuristicsCache", "string", "DD_RDDMIN_HEURISTICS_CACHE", ["--rddmin-heuristics-cache="], "none", ["none", "cache", "all_cache"]) self.addRegistry("rddminHeuristicsRep" , "string", "DD_RDDMIN_HEURISTICS_REP", ["--rddmin-heuristics-rep="], [] , "rep_exists", True) self.addRegistry("rddminHeuristicsLineConv" , "bool", "DD_RDDMIN_HEURISTICS_LINE_CONV", ["--rddmin-heuristics-line-conv"], False, None) self.addRegistry("resWithAllSamples" , "bool", "DD_RES_WITH_ALL_SAMPLES", ["--res-with-all-samples"], False, None) def normalizeOptions(self): if self.rddminVariant=="stoch": self.rddminVariant="s" if self.rddminVariant=="dicho": self.rddminVariant="d" if self.rddminVariant=="strict": self.rddminVariant="" ## Accessors def get_splitGranularity(self): return self.splitGranularity def get_ddAlgo(self): if self.ddAlgo.endswith("rddmin"): return self.rddminVariant+self.ddAlgo return self.ddAlgo def get_maxNbPROC(self): return self.maxNbPROC def get_nbRUN(self): return self.nbRUN def get_quiet(self): return self.ddQuiet def get_resWithAllsamples(self): return self.resWithAllSamples def get_rddMinTab(self): rddMinTab=None nbProc=1 if self.maxNbPROC!=None: nbProc=self.maxNbPROC if self.param_rddmin_tab=="exp": if nbProc >self.nbRUN: return [self.nbRUN] else: return [x for x in exponentialRange(self.nbRUN) if x>=nbProc] if self.param_rddmin_tab=="all": if nbProc>self.nbRUN: return range(1,self.nbRUN+1) else: return range(nbProc, self.nbRUN+1) if self.param_rddmin_tab=="single": rddMinTab=[self.nbRUN] return rddMinTab def get_splitTab(self): splitTab=None if self.param_dicho_tab=="exp": splitTab=exponentialRange(self.nbRUN) if self.param_dicho_tab=="all": splitTab=range(self.nbRUN) if self.param_dicho_tab=="single": splitTab=[self.nbRUN] if self.param_dicho_tab=="half": splitTab=[ int(math.ceil(self.nbRUN / 2.))] if self.param_dicho_tab in [str(i) for i in range(1, self.nbRUN+1) ]: splitTab=[self.param_dicho_tab] return splitTab def get_runScript(self): return self.runScript def get_cmpScript(self): return self.cmpScript def get_cache(self): return self.cache def get_rddminHeuristicsCache(self): return self.rddminHeuristicsCache def get_rddminHeuristicsRep_Tab(self): return self.rddminHeuristicsRep def get_rddminHeuristicsLineConv(self): return self.rddminHeuristicsLineConv
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verrou
verrou-master/pyTools/DD_exec_stat.py
# This file is part of Verrou, a FPU instrumentation tool. # Copyright (C) 2014-2021 EDF # F. Févotte <francois.fevotte@edf.fr> # B. Lathuilière <bruno.lathuiliere@edf.fr> # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation; either version 2.1 of the # License, or (at your option) any later version. # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # General Public License for more details. # You should have received a copy of the GNU Lesser General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA # 02111-1307, USA. # The GNU Lesser General Public License is contained in the file COPYING. import sys import os import time class exec_stat: def __init__(self,repName): self.repName=repName self.timeInit() def terminate(self): self.timeEnd() self.printElapsed(int(self.end- self.start)) self.printNbRun() def timeInit(self): self.start = time.time() def timeEnd(self): self.end = int(time.time()) def printElapsed(self,duration): s= duration % 60 rm= duration //60 m=rm%60 rh=rm//60 h=rh%24 rd=rh//24 print ("\nElapsed Time: %id %ih %imin %is "%(rd,h,m,s) ) def isNew(self, filename): return ((os.stat(filename).st_mtime) > self.start) def printNbRun(self,dirName="."): import glob runTab=glob.glob(dirName+"/"+self.repName+"/*/dd.run*/dd.run.out") runFilter=[filename for filename in runTab if self.isNew(filename)] print(self.repName+" search : %i run (with cache included: %i)"%(len(runFilter),len(runTab)) )
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verrou
verrou-master/pyTools/gen_config.py
import getopt import os import sys import re import copy class gen_config: def __init__(self, argv, environ,config_keys=["INTERFLOP"], lengthValidTab=[2]): self.config_keys=config_keys self.registryTab =[] self.registerOptions() self.readDefaultValueFromRegister() self.parseArgv(argv, lengthValidTab) for config_key in self.config_keys: self.read_environ(environ, config_key) def addRegistry(self,attribut, optionType, ENV, tabOption, default, checkParam=None, additive=False, docStr=None ): registry={"attribut":attribut, "type": optionType, "ENV":ENV, "tabOption":tabOption, "default":default, "checkParam":checkParam, "additive":additive, "docStr":docStr} self.registryTab+=[registry] def readDefaultValueFromRegister(self): for registry in self.registryTab: attribut=registry["attribut"] default=registry["default"] exec("self."+attribut+"= copy.deepcopy(default)") def optionToStr(self): strOption="" for registry in self.registryTab: attribut=registry["attribut"] strOption+="\t%s : %s\n"%(attribut,eval("str(self."+attribut+")")) return strOption def parseArgv(self,argv, lengthValidTab): shortOptionsForGetOpt="h" + "".join([y[1:] for x in self.registryTab for y in x["tabOption"] if y.startswith("-") and y[1]!="-"]) longOptionsForGetOpt=["help"] + [y[2:] for x in self.registryTab for y in x["tabOption"] if y.startswith("--")] try: opts,args=getopt.getopt(argv[1:], shortOptionsForGetOpt, longOptionsForGetOpt) except getopt.GetoptError: self.usageCmd() self.failure() for opt, arg in opts: if opt in ["-h","--help"]: self.usageCmd() self.failure() for registry in self.registryTab: for registryName in registry["tabOption"]: fromRegistryName=registryName.replace("=","") fromRegistryName=fromRegistryName.replace(":","") if opt==fromRegistryName: self.readOneOption(arg,registry["attribut"], registry["type"], registry["ENV"],registryName,registry["checkParam"], registry["additive"], parse="parse") break if len(args) in lengthValidTab: self.exec_arg=[self.checkScriptPath(arg) for arg in args] else: self.usageCmd() self.failure() def read_environ(self,environ, PREFIX): self.environ=environ #configuration to prepare the call to readOneOption self.PREFIX=PREFIX for registry in self.registryTab: try: strValue=self.environ[self.PREFIX+"_"+registry["ENV"]] param=[registry["attribut"], registry["type"], registry["ENV"], registry["tabOption"][0],registry["checkParam"], registry["additive"]] self.readOneOption(strValue,*param, parse="environ") except KeyError: pass def usageCmd(self): print("Usage: "+ os.path.basename(sys.argv[0]) + " [options] runScript cmpScript") print(self.get_EnvDoc(self.config_keys[-1])) def failure(self): sys.exit(42) def checkScriptPath(self,fpath): if os.path.isfile(fpath) and os.access(fpath, os.X_OK): return os.path.abspath(fpath) else: print("Invalid Cmd:"+str(sys.argv)) if os.path.isfile(fpath) and not os.access(fpath, os.X_OK): print(fpath + " should be executable") if not os.path.isfile(fpath): print(fpath + " is not a file") self.usageCmd() self.failure() def readOneOption(self,strOption, attribut,conv_type ,key_name, argv_name, acceptedValue, addAttributTab, parse): value=False if conv_type=="int": value = int(strOption) else: value = strOption if conv_type=="bool": value=True cmd="self."+attribut+"= copy.deepcopy(value)" if addAttributTab: cmd="self."+attribut+"+= [copy.deepcopy(value)]" if acceptedValue==None : exec(cmd) return elif acceptedValue=="rep_exists": if os.path.isdir(value): exec(cmd) return else: if parse=="environ": print("Error : "+ self.PREFIX+"_"+key_name+ " should be a directory") else: print("Error : "+ argv_name+" : " + strOption+" should be a directory") self.failure() else: if value in acceptedValue or None in acceptedValue: exec(cmd) return elif conv_type=="string/int": try: value=int(value) exec(cmd) return except: if parse=="environ": print("Error : "+ self.PREFIX+"_"+key_name+ " should be in "+str(acceptedValue) +" or be a int value") else: print("Error : "+ argv_name+" : " + strOption+" should be in "+str(acceptedValue) +" or be a int value") self.failure() else: if parse=="environ": print("Error : "+ self.PREFIX+"_"+key_name+ " should be in "+str(acceptedValue)) else: print("Error : "+ argv_name+" : " + strOption+" should be in "+str(acceptedValue)) self.failure() def get_EnvDoc(self,PREFIX="INTERFLOP"): doc="""List of env variables and options :\n""" for registry in self.registryTab: # (attribut, attributType, envVar, option, default, expectedValue, add)=registry optionTab=registry["tabOption"] if len(optionTab)==1: optionStr=str(optionTab[0]) else: optionStr=" or ".join(optionTab) optionNameStr="%s or %s"%(PREFIX+"_"+registry["ENV"], optionStr) expectedValue=registry["checkParam"] expectedValueStr="" if expectedValue!=None: if str(type(expectedValue))=="<class 'list'>": v=copy.deepcopy(expectedValue) if None in v: v.remove(None) v+=["..."] expectedValueStr="in "+str(v) else: expectedValueStr="in "+str(expectedValue) attributType=registry["type"] typeStr="" if attributType== "int": typeStr="int" if attributType== "int/string": typeStr="or int" if attributType=="bool": typeStr="set or not" default=registry["default"] defaultStr='(default "%s")'%(default) if default==None: defaultStr='(default none)' if default==False: defaultStr='(default not)' if default==True: defaultStr='(default set)' if registry["docStr"]==None: doc+="\t%s : %s %s %s \n"%(optionNameStr,expectedValueStr,typeStr, defaultStr) else: doc+="\t%s : %s\n"%(optionNameStr,registry["docStr"]) return doc
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verrou
verrou-master/pyTools/convNumLineTool.py
#!/usr/bin/python3 import sys import difflib class convNumLineTool: """convNumLineTool provides a way to update a delta line when the search space computed by two delta-debug run (ie the two reference computations). The class user has to provide the two search spaces and two functions (one to partition the delta line in a bloc of data and a number of line and one to regenerate the line from the bloc data and the number of line). The basic idea of the algorithm : for each bloc data, we apply a diff algorithm on the sequence of difference between successive num line. Can be used only as heuristic. """ def __init__(self,deltasOrg, deltasNew, selectBlocAndNumLineFunctor, joinBlocAndNumLine): self.selectBlocAndNumLineFunctor=selectBlocAndNumLineFunctor self.joinBlocAndNumLine=joinBlocAndNumLine self.pOrg=self._parseDeltas(deltasOrg, selectBlocAndNumLineFunctor) self.pNew=self._parseDeltas(deltasNew, selectBlocAndNumLineFunctor) self.cacheRes={} def _parseDeltas(self,deltas,selectBlocAndNumLineFunctor): """Parse the search space define by fileName""" res={} for delta in deltas: (bloc, numLine)=selectBlocAndNumLineFunctor(delta) if bloc in res: res[bloc]=res[bloc]+[numLine] else: res[bloc]=[numLine] return res def getNewLines(self, oldLine): """Function that convert the old line to the new one""" oldBloc, oldLineNum=self.selectBlocAndNumLineFunctor(oldLine) if not oldBloc in self.cacheRes: convTab=self._convBloc(oldBloc) dic={} for (key,value) in convTab: if key in dic: dic[key]+=[value] else: dic[key]=[value] self.cacheRes[oldBloc]= dic convDic=self.cacheRes[oldBloc] if oldLineNum not in convDic: raise AssertionError("Internal error oldLineNum should be in blocDic") newLineNumTab=convDic[oldLineNum] return [self.joinBlocAndNumLine(oldBloc, newLineNum) for newLineNum in newLineNumTab] def _convBloc(self,bloc): if bloc not in self.pOrg: raise AssertionError("Internal error : bloc should be in pOrg") lineNumTabOrg=self.pOrg[bloc] lineNumTabNew=[] if bloc in self.pNew: lineNumTabNew=self.pNew[bloc] #The conversion to successive numline difference format requires a sorted tab lineNumTabNewSorted=sorted(lineNumTabNew) lineNumTabOrgSorted=sorted(lineNumTabOrg) if len(lineNumTabNewSorted)==0: return [(x,None) for x in lineNumTabOrgSorted] if lineNumTabOrgSorted==lineNumTabNewSorted: return [(x,x) for x in lineNumTabOrgSorted] else: diffTabNew=self._convertLineTabToLineDiffTab(lineNumTabNewSorted) diffTabOrg=self._convertLineTabToLineDiffTab(lineNumTabOrgSorted) s = difflib.SequenceMatcher(None, diffTabOrg, diffTabNew) res=[] accOrg=0 accNew=0 for tag, i1, i2, j1, j2 in s.get_opcodes(): minSize=min(i2-i1, j2-j1) for i in range(minSize): orgValue=accOrg+diffTabOrg[i1+i] newValue=accNew+diffTabNew[j1+i] accOrg=orgValue accNew=newValue res+=[(orgValue, newValue)] for i in range(i1+minSize,i2): orgValue=accOrg+diffTabOrg[i] accOrg=orgValue res+=[(orgValue, accNew)] for i in range(j1+minSize,j2): newValue=accNew+diffTabNew[j] orgValue=accOrg accNew=newValue res+=[(orgValue, newValue)] return res def _convertLineTabToLineDiffTab(self,tab): #Conversion to successive numline difference format if len(tab)==0: return [] return [tab[0]]+ [tab[i] -tab[i-1] for i in range(1, len(tab))] if __name__=="__main__": """Use case exemple : sys.argv[1] and sys.argv[2] are two files dd.line/ref/dd.line generated by verrou_dd_line linesTest contains two lines included in sys.argv[1] """ def selectBlocAndNumLine(line): [v1, v2,v3] =(line.strip()).split("\t") return ((v1,v3),int(v2)) def joinBlocAndNumLine(bloc, numLine): return bloc[0]+"\t"+str(numLine)+"\t"+bloc[1] convTool= convNumLineTool((open(sys.argv[1])).readlines(), (open(sys.argv[2])).readlines(), selectBlocAndNumLine, joinBlocAndNumLine) linesTest= ["rc32spa.F90\t425\trc32spa_", "rc32spa.F90\t458\trc32spa_"] for lineOrg in linesTest: linesNew=convTool.getNewLines(lineOrg) print("lineOrg:", lineOrg) print("linesNew:", linesNew) print("")
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verrou
verrou-master/Interlibmath/testCos.py
#!/usr/bin/env python3 import math import sys import numpy x=float(sys.argv[1]) y=numpy.nextafter(x,math.inf) for i in range(4): print("cos(x)-cos(x): ", math.cos(x)-math.cos(x)) print("cos(x)-cos(y): ", math.cos(x)-math.cos(y))
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verrou
verrou-master/interflop_backends/interflop_verrou/gen_interflop_verrou_flop_impl.py
#!/usr/bin/python3 import sys listOfUnaryOp=["sqrt"] listOfBinaryOp=["add","sub","mul","div"] listOfTernaryOp=["madd"] listOfType=["double","float"] protoTypeUnary=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/) (/TYPE/ a, /TYPE/* res,void* context) { typedef OpWithDynSelectedRoundingMode</OPCLASS/ </TYPE/> > Op; Op::apply(Op::PackArgs(a),res,context); } """ protoTypeBinary=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/) (/TYPE/ a, /TYPE/ b, /TYPE/* res,void* context) { typedef OpWithDynSelectedRoundingMode</OPCLASS/ </TYPE/> > Op; Op::apply(Op::PackArgs(a,b),res,context); } """ protoTypeTernary=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/) (/TYPE/ a, /TYPE/ b, /TYPE/ c, /TYPE/* res,void* context) { typedef OpWithDynSelectedRoundingMode</OPCLASS/ </TYPE/> > Op; Op::apply(Op::PackArgs(a,b,c),res,context); } """ protoTypeCast=""" IFV_INLINE void IFV_FCTNAME(/OP/_double_to_float) (double a, float* res, void* context){ typedef OpWithDynSelectedRoundingMode</OPCLASS/</TYPE/> > Op; Op::apply(Op::PackArgs(a),res,context); } """ post_treatmement_code=""" #ifndef VERROU_IGNORE_NANINF_CHECK if (isNanInf(*res)) { if(isNan(*res)){ vr_nanHandler(); } if(isinf(*res)){ vr_infHandler(); } } #endif """ protoTypeUnaryStatic=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/_/ROUNDING_NAME/) (/TYPE/ a, /TYPE/* res,void* context) { typedef /ROUNDING_CLASS/</OPCLASS/ </TYPE/> /RANDCLASS/> Op; *res=Op::apply(Op::PackArgs(a)); /POST_TREATMEMENT_CODE/; } """ protoTypeBinaryStatic=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/_/ROUNDING_NAME/) (/TYPE/ a, /TYPE/ b, /TYPE/* res,void* context) { typedef /ROUNDING_CLASS/</OPCLASS/ </TYPE/> /RANDCLASS/> Op; *res=Op::apply(Op::PackArgs(a,b)); /POST_TREATMEMENT_CODE/; } """ protoTypeTernaryStatic=""" IFV_INLINE void IFV_FCTNAME(/OP/_/TYPE/_/ROUNDING_NAME/) (/TYPE/ a, /TYPE/ b, /TYPE/ c, /TYPE/* res,void* context) { typedef /ROUNDING_CLASS/</OPCLASS/ </TYPE/> /RANDCLASS/> Op; *res=Op::apply(Op::PackArgs(a,b,c)); /POST_TREATMEMENT_CODE/; } """ protoTypeCastStatic=""" IFV_INLINE void IFV_FCTNAME(/OP/_double_to_float_/ROUNDING_NAME/) (double a, float* res, void* context){ typedef /ROUNDING_CLASS/</OPCLASS/</TYPE/> /RANDCLASS/> Op; *res=Op::apply(Op::PackArgs(a)); /POST_TREATMEMENT_CODE/; } """ header_interflop=""" void IFV_FCTNAME(add_double) (double a, double b, double* res, void* context); void IFV_FCTNAME(add_float) (float a, float b, float* res, void* context); void IFV_FCTNAME(sub_double) (double a, double b, double* res, void* context); void IFV_FCTNAME(sub_float) (float a, float b, float* res, void* context); void IFV_FCTNAME(mul_double) (double a, double b, double* res, void* context); void IFV_FCTNAME(mul_float) (float a, float b, float* res, void* context); void IFV_FCTNAME(div_double) (double a, double b, double* res, void* context); void IFV_FCTNAME(div_float) (float a, float b, float* res, void* context); void IFV_FCTNAME(sqrt_double) (double a, double* res, void* context); void IFV_FCTNAME(sqrt_float) (float a, float* res, void* context); void IFV_FCTNAME(cast_double_to_float) (double a, float* b, void* context); void IFV_FCTNAME(madd_double)(double a, double b, double c, double* res, void* context); void IFV_FCTNAME(madd_float) (float a, float b, float c, float* res, void* context); """ def getOpClass(op): if op=="add": return "AddOp" if op=="sub": return "SubOp" if op=="mul": return "MulOp" if op=="div": return "DivOp" if op=="sqrt": return "SqrtOp" if op=="madd": return "MAddOp" if op=="cast": return "CastOp" return None def getRoundingClass(rounding): if rounding=="NEAREST": return "RoundingNearest" if rounding=="UPWARD": return "RoundingUpward" if rounding=="DOWNWARD": return "RoundingDownward" if rounding=="ZERO": return "RoundingZero" if rounding=="AWAY_ZERO": return "RoundingAwayZero" if rounding=="FARTHEST": return "RoundingFarthest" if rounding in ["RANDOM"+det for det in ["","_DET","_COMDET"] ]: return "RoundingRandom" if rounding in ["RANDOM"+det for det in ["_SCOMDET"] ]: return "RoundingPRandom" if rounding in ["AVERAGE"+det for det in ["_SCOMDET"] ]: return "RoundingSAverage" if rounding in ["AVERAGE"+det for det in ["","_DET","_COMDET"] ]: return "RoundingAverage" if rounding in ["PRANDOM"+det for det in ["","_DET","_COMDET"] ]: return "RoundingPRandom" if rounding in ["SR_MONOTONIC"]: return "RoundingSRMonotonic" return None def getRandClass(rounding): if rounding in ["NEAREST","UPWARD","DOWNWARD","ZERO", "AWAY_ZERO", "FARTHEST"]: return None if rounding in ["RANDOM","AVERAGE"]: return "vr_rand_prng</OPCLASS/ </TYPE/> >" if rounding in ["RANDOM_DET","AVERAGE_DET","SR_MONOTONIC" ]: return "vr_rand_det</OPCLASS/ </TYPE/> >" if rounding in ["RANDOM_COMDET","AVERAGE_COMDET"]: return "vr_rand_comdet</OPCLASS/ </TYPE/> >" if rounding in ["RANDOM_SCOMDET","AVERAGE_SCOMDET"]: return "vr_rand_scomdet</OPCLASS/ </TYPE/> >" if rounding == "PRANDOM": return "vr_rand_p</OPCLASS/ </TYPE/>,vr_rand_prng>" if rounding == "PRANDOM_DET": return "vr_rand_p</OPCLASS/ </TYPE/>,vr_rand_det>" if rounding == "PRANDOM_COMDET": return "vr_rand_p</OPCLASS/ </TYPE/>,vr_rand_comdet>" return None def specializePatternDyn(template, op, typeFp): res=template.replace("/OP/",op) res=res.replace("/TYPE/",typeFp) res=res.replace("/OPCLASS/", getOpClass(op)) return res def specializePatternStatic(template, op, typeFp, roundingName,roundingClass, randClass): if roundingClass==None: return "#error \"in code generation\"" res=template if randClass==None: res=res.replace("/RANDCLASS/","") else: res=res.replace("/RANDCLASS/",","+randClass+" ") res=res.replace("/ROUNDING_CLASS/", roundingClass) res=res.replace("/OP/",op) res=res.replace("/TYPE/",typeFp) if op!="": res=res.replace("/OPCLASS/", getOpClass(op)) res=res.replace("/ROUNDING_NAME/", roundingName) res=res.replace("/POST_TREATMEMENT_CODE/",post_treatmement_code) return res def genFlopImpl(handler, roundingmode="dyn"): for op in listOfUnaryOp: for fpType in listOfType: if roundingmode=="dyn": handler.write(specializePatternDyn(protoTypeUnary, op, fpType)+"\n") else: handler.write(specializePatternStatic(protoTypeUnaryStatic, op, fpType, roundingmode, getRoundingClass(roundingmode), getRandClass(roundingmode))+"\n") for op in listOfBinaryOp: for fpType in listOfType: if roundingmode=="dyn": handler.write(specializePatternDyn(protoTypeBinary, op, fpType)+"\n") else: handler.write(specializePatternStatic(protoTypeBinaryStatic, op, fpType, roundingmode, getRoundingClass(roundingmode), getRandClass(roundingmode))+"\n") for op in listOfTernaryOp: for fpType in listOfType: if roundingmode=="dyn": handler.write(specializePatternDyn(protoTypeTernary, op, fpType)+"\n") else: handler.write(specializePatternStatic(protoTypeTernaryStatic, op, fpType, roundingmode, getRoundingClass(roundingmode),getRandClass(roundingmode))+"\n") if roundingmode=="dyn": handler.write(specializePatternDyn(protoTypeCast, "cast", "double,float") +"\n") else: handler.write(specializePatternStatic(protoTypeCastStatic, "cast", "double,float", roundingmode, getRoundingClass(roundingmode), getRandClass(roundingmode))+"\n") if __name__=="__main__": roundingTab =["NEAREST", "UPWARD", "DOWNWARD", "FARTHEST", "ZERO", "AWAY_ZERO"] roundingTab+=[rnd + det for rnd in ["RANDOM", "AVERAGE"] for det in ["","_DET","_COMDET","_SCOMDET" ]] roundingTab+=[rnd + det for rnd in ["PRANDOM"] for det in ["","_DET","_COMDET" ]] roundingTab+=["SR_MONOTONIC"] handler=open("interflop_verrou_flop_impl.hxx","w") handler.write("// generated by : "+str(sys.argv)+"\n") handler.write("#define IFV_INLINE\n") genFlopImpl(handler, roundingmode="dyn") for rounding in roundingTab: genFlopImpl(handler, roundingmode=rounding) handler.close() handler=open("interflop_verrou_rounding.h","w") handler.write("#undef IFV_FCTNAME\n") for rounding in roundingTab: handler.write("#define IFV_FCTNAME(FCT) interflop_verrou_##FCT##_"+rounding+"\n") handler.write(header_interflop) handler.write("#undef IFV_FCTNAME\n") handler.write("#define IFV_FCTNAME(FCT) interflop_verrou_##FCT\n")
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verrou
verrou-master/interflop_backends/interflop_verrou/prng/genXoshiro.py
#!/usr/bin/python3 import os import sys #Script use to generate all xoshiro function with a specific name to be able to use different one in the same binary. If you accept modern C++ (>17) you should consider # https://github.com/Reputeless/Xoshiro-cpp instead. repOrgImpl="org" def extractFun(fileName, name): res=[] numberOfAcc=None for line in open(fileName,"r").readlines(): if name in line: #should implement regexp numberOfAcc=0 if numberOfAcc!=None: res+=[line] numberOfAcc+=line.count("{") numberOfAcc-=line.count("}") if numberOfAcc==0: return res def replaceFunName(extractFun, oldName, newName): return [x.replace(oldName, newName) for x in extractFun] def addParamState(extractedFun, paramState, paramStateName="s"): if "(void)" in extractedFun[0]: return [extractedFun[0].replace("(void)", "("+paramState +"& "+paramStateName+")")] +extractedFun[1:] if "()" in extractedFun[0]: return [extractedFun[0].replace("()", "("+paramState +"& "+paramStateName+")")] +extractedFun[1:] print("error : impossible to add param") sys.exit(42) def addHeader(extractedFun): return [extractedFun[0].replace("{",";")] +extractedFun def addInline(extractedFun): return ["inline "+extractedFun[0]] +extractedFun[1:] def writeFun(handler,extractedFun): if handler==None: for line in extractedFun: print(line[0:-1]) else: for line in extractedFun: handler.write(line) def genNextAndRotl(impl, size): assert(size in [128,256]) assert(str(size) in impl) pathName=os.path.join(repOrgImpl, impl+".c") fun_next=extractFun(pathName, 'next') fun_next=addParamState(fun_next , "xoshiro"+str(size)+"_state_t") fun_next=replaceFunName(fun_next, "next", impl+"_next") fun_next=replaceFunName(fun_next, "rotl", impl+"_rotl") fun_next=addInline(fun_next); fun_rotl=extractFun(pathName, 'rotl') fun_rotl=replaceFunName(fun_rotl, "rotl", impl+"_rotl") return fun_rotl +["\n"] +fun_next if __name__=="__main__": implemList128 =["xoshiro128plus","xoshiro128plusplus","xoshiro128starstar"] implemList128+=["xoroshiro128plus","xoroshiro128plusplus","xoroshiro128starstar"] implemList256 =["xoshiro256plus", "xoshiro256plusplus", "xoshiro256starstar"] implMix="splitmix64" res=["//generated by %s\n"%(str(sys.argv))] res+=["//generated from %s\n"%(str([os.path.join(repOrgImpl, impl+".c") for impl in implemList128 + implemList256 ]+[implMix]))] res+=["// cf. copyright\n"] res+=["\n"] res+=["#include<stdint.h>\n"] res+=["#include<cfloat>\n"] res+=["\n"] res+=["typedef uint64_t xoshiro128_state_t[2];\n"] res+=["typedef uint64_t xoshiro256_state_t[4];\n"] res+=["\n"] for impl in implemList128: res+=genNextAndRotl(impl,128) for impl in implemList256: res+=genNextAndRotl(impl,256) res+=["\n"] pathName=os.path.join(repOrgImpl, implMix+".c") fun_next=extractFun(pathName, "next"); fun_next=addParamState(fun_next , "uint64_t ", "x" ); fun_next=replaceFunName(fun_next, "next", implMix+"_next") fun_next=addInline(fun_next); res+=fun_next init_code=""" inline void init_xoshiro256_state(xoshiro256_state_t& state, uint64_t seed){ uint64_t splitMixState=seed; state[0]= splitmix64_next(splitMixState); state[1]= splitmix64_next(splitMixState); state[2]= splitmix64_next(splitMixState); state[3]= splitmix64_next(splitMixState); } inline void init_xoshiro128_state(xoshiro128_state_t& state,uint64_t seed){ uint64_t splitMixState=seed; state[0]= splitmix64_next(splitMixState); state[1]= splitmix64_next(splitMixState); } """ res+=[line+"\n" for line in init_code.split("\n")] convFloatCode=""" inline float xoshiro_uint32_to_float(const uint32_t i){ constexpr float factor(0.5*FLT_EPSILON);//0x1.0p-24 return (i >> 8) * factor; }; inline double xoshiro_uint64_to_double(const uint64_t i){ constexpr double factor(0.5*DBL_EPSILON);//0x1.0p-53 return (i >> 11) * factor; }; """ res+=[line+"\n" for line in convFloatCode.split("\n")] writeFun(open("xoshiro.cxx","w"), res)
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verrou
verrou-master/check_perf_tools/gen_stat.py
#!/usr/bin/python3 import os import re import sys import subprocess import math from tabular import * detRounding=["random_det","average_det", "random_comdet","average_comdet", "random_scomdet","average_scomdet", "sr_monotonic"] roundingListNum=["random", "average", "nearest", "upward", "downward"] buildConfList=[ "current","dietzfelbinger","multiply_shift","double_tabulation", "xxhash","mersenne_twister"] #buildConfList=["double_tabulation"]#,"mersenne_twister"] buildConfListXoshiro=[]#"xoshiro","xoshiro-2","xoshiro-8"] pathNumBin="../unitTest/checkStatRounding" runNum="run.sh" extractNum="extract.py" numEnvConfigTab=[{"ALGO":algo, "ALGO_TYPE":realtype} for realtype in ["double", "float"] for algo in ["Seq", "Rec"]] def runCmd(cmd): subprocess.call(cmd, shell=True) def runCmdToLines(cmd): process=subprocess.run(cmd, shell=True,capture_output=True, text=True) return process.stdout.split("\n") def parsePlotStat(lineTab): toParse=False res={} for line in lineTab: if line.startswith("[mca] estimator"): continue if line.startswith("[mca] all:"): toParse=True if toParse: if not line.startswith("[mca]"): spline=line.strip().split("\t") rounding=spline[0][0:-1] absEst=spline[1] relEst=spline[2] bit=spline[3].replace("bit","") res[rounding]={"absEst":absEst, "relEst": relEst , "bit":bit } if rounding=="all": toParse=False else: line=line.replace("[mca] ","") spline=line.strip().split("\t") rounding=spline[0][0:-1] relEst=spline[1] bit=spline[2].replace("bit","") res[rounding]["mca"]=relEst res[rounding]["mca_bit"]=bit if rounding=="all": toParse=False if line.startswith("refValue[nearest]"): res["nearest"]=(line.split(":")[1]).strip() if line.startswith("estimator"): toParse=True return res def extractStat(): res={} for name in buildConfList+buildConfListXoshiro: resName={} repNum="buildRep-%s/num"%(name) roundingTab=roundingListNum + detRounding roundingStr=",".join(roundingTab) for envConfig in numEnvConfigTab: envStr="" concatStr="" for key in envConfig: envStr+= " "+key+"="+envConfig[key] concatStr+=envConfig[key] cmd="verrou_plot_stat --rep=%s --seed=42 --rounding-list=%s --no-plot --mca-estimator %s %s "%( repNum, roundingStr, pathNumBin+"/"+runNum, pathNumBin+"/"+extractNum) print(envStr, cmd) lineTab=runCmdToLines(". ./buildRep-%s/install/env.sh ; %s %s "%(name,envStr,cmd)) resName[concatStr]=parsePlotStat(lineTab) res[name]=resName return res def checkCoherence(stat): for code in ["Seqdouble", "Seqfloat", "Recdouble", "Recfloat"]: for rounding in ["random","average","all"]: try: resTab =[stat[conf][code][rounding]["bit"] for conf in buildConfList] except: print("debug error stat") for conf in buildConfList: print("stat["+conf+"]",stat[conf]) if len(set(resTab))>1: bitTab=[float(x) for x in set(resTab)] maxError=max([abs(x-bitTab[0])/ bitTab[0] for x in bitTab ]) if maxError > 0.01: print(code + " "+rounding+ " " +str(resTab)) print("maxError:",maxError) return False resTab =[stat[conf][code]["nearest"] for conf in buildConfList] if len(set(resTab))>1: print("resTab Neaerest", resTab) return False return True def feedTab(stat, rndList=["random","average","sr_monotonic" ] ,detTab=["_det","_comdet"], extraRounding=[], ref=None, precisionVar="bit", buildConfList=buildConfList): refName="current" codeTab=["Seqfloat","Seqdouble", "Recfloat","Recdouble"] codeTabName=[x.replace("float","<float>").replace("double","<double>")for x in codeTab] tab.begin() tab.lineMultiple([(1,""), (2,"Seq"),(2,"Rec")]) tab.endLine() tab.line(["","float","double", "float","double"]) tab.endLine() tab.lineSep() tab.line(["error(nearest)"]+ [ "%.2f"%( -math.log2(abs(float(stat[refName][code]["nearest"])-float(ref)) / float(ref))) for code in codeTab ]) tab.endLine() roundingTab=[("all", "all", "current"),"SEPARATOR"] for rd in rndList: if rd!= "sr_monotonic": roundingTab+=[(rd, rd,refName)] if rd=="average": for gen in buildConfListXoshiro: roundingTab+=[(rd+ "("+gen+")" ,rd ,gen )] if rd=="random": for gen in buildConfListXoshiro: roundingTab+=[(rd+ "("+gen+")" ,rd ,gen )] for gen in buildConfList: if gen=="current": continue if rd in ["random","average"]: for detType in detTab: roundingTab+=[(rd+detType+"("+gen+")",rd+detType,gen)] else: roundingTab+=[(rd+"("+gen+")",rd,gen)] roundingTab+=["SEPARATOR"] for confLine in roundingTab[0:-1]: if confLine=="SEPARATOR": tab.lineSep() continue head= [confLine[0]] content=[stat[confLine[2]][code][confLine[1]][precisionVar] for code in codeTab ] tab.line(head+content) tab.endLine() tab.end() def plotNumConfig(): histRep="histPng" if not os.path.exists(histRep): os.mkdir(histRep) for name in buildConfList: repNum="buildRep-%s/num"%(name) if not os.path.exists(repNum): os.mkdir(repNum) roundingTab=detRounding+ roundingListNum roundingStr=",".join(roundingTab) for envConfig in numEnvConfigTab: envStr="" pngStr=os.path.join(histRep,name+"-") for key in envConfig: envStr+= " "+key+"="+envConfig[key] pngStr+=envConfig[key] cmd="verrou_plot_stat --rep=%s --num-threads=5 --seed=42 --relative=104857.6 --rounding-list=%s --png=%s.png %s %s "%( repNum, roundingStr, pngStr, pathNumBin+"/"+runNum, pathNumBin+"/"+extractNum) print(envStr, cmd) if name!="local": runCmd(". ./buildRep-%s/install/env.sh ; %s %s "%(name,envStr,cmd)) else: runCmd("%s %s "%(envStr,cmd)) if __name__=="__main__": # plotNumConfig() statRes=extractStat() if checkCoherence(statRes): print("checkCoherence OK") else: print("checkCoherence FAILURE") tab=tabularLatex("lcccc", output="tabDet.tex") feedTab(statRes,rndList=["random","average"],detTab=["_det"], ref=2**20*0.1) tab=tabularLatex("lcccc", output="tabComDet.tex") feedTab(statRes,rndList=["random","average"],detTab=["_comdet"], ref=2**20*0.1) tab=tabularLatex("lcccc", output="tabScomDet.tex") feedTab(statRes,rndList=["random","average"],detTab=["_scomdet"], ref=2**20*0.1) tab=tabularLatex("lcccc", output="tabMono.tex") feedTab(statRes,rndList=["average","sr_monotonic"],detTab=["_scomdet"], ref=2**20*0.1) tab=tabularLatex("lcccc", output="tabMCA.tex") feedTab(statRes,rndList=["random","average","sr_monotonic"],detTab=["_det","_scomdet"], ref=2**20*0.1, precisionVar="mca_bit", buildConfList=[ "current","double_tabulation", "xxhash","mersenne_twister"]) cmd="ALGO=Rec ALGO_TYPE=float verrou_plot_stat --rep=buildRep-mersenne_twister/num --seed=42 --relative=104857.6 --rounding-list=random,average,nearest,upward,downward,random_det,average_det --png=Recfloatmersenne_twisterDet.png ../unitTest/checkStatRounding/run.sh ../unitTest/checkStatRounding/extract.py" print(cmd) runCmd(cmd) cmd="ALGO=Seq ALGO_TYPE=float verrou_plot_stat --nb-bin=200 --rep=buildRep-mersenne_twister/num --seed=42 --relative=104857.6 --rounding-list=average,random,random_det,average_det --png=SeqFloatmersenne_twisterDetZoom.png ../unitTest/checkStatRounding/run.sh ../unitTest/checkStatRounding/extract.py" print(cmd) runCmd(cmd) cmd="ALGO=Seq ALGO_TYPE=float verrou_plot_stat --rep=buildRep-mersenne_twister/num --seed=42 --relative=104857.6 --rounding-list=average,random,random_det,average_det,nearest,downward,upward --png=SeqFloatmersenne_twisterDet.png ../unitTest/checkStatRounding/run.sh ../unitTest/checkStatRounding/extract.py" print(cmd) runCmd(cmd)
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verrou
verrou-master/check_perf_tools/tabular.py
class tabular: def __init__(self): self.currentStr="" def begin(self): pass def end(self): pass def lineSep(self): print("") def endLine(self): print(self.currentStr) self.currentStr="" def line(self,tab): self.currentStr+=("\t".join(tab)) def lineMultiple(self, tab): lineTab=[] for (nb, value) in tab: for i in range(nb): lineTab+=[value] self.currentStr+= ("\t".join(lineTab)) class tabularLatex: def __init__(self,keyStr="c", output=None): self.currentStr="" self.keyStr=keyStr self.output=output def begin(self): self.currentStr+="\\begin{tabular}{%s}\\toprule\n"%self.keyStr def end(self): self.currentStr+="\\bottomrule\n" self.currentStr+="\end{tabular}\n" if self.output==None: print(self.currentStr) else: handler=open(self.output,"w") handler.write(self.currentStr) def lineSep(self): self.currentStr+="\\midrule\n" def endLine(self): self.currentStr+="\\\\\n" def line(self,tab): lineStr=("\t&\t".join(tab)) lineStr=lineStr.replace("_","\_") self.currentStr+=lineStr def lineMultiple(self, tab): lineStr="" lineTab=[] for (nb, value) in tab: if nb>1: lineTab+=["\multicolumn{%s}{c}{%s}"%(str(nb), value.replace("_","\_")) ] if nb==1: lineTab+=[value.replace("_","\_")] lineStr+= ("\t&\t".join(lineTab)) self.currentStr+=lineStr
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verrou
verrou-master/check_perf_tools/gen_build.py
#!/usr/bin/python3 import os import re import sys import subprocess gitRepositoty="origin/" gitRepositoty="" branch="master" valgrind_version="valgrind-3.21.0" verrouConfigList={ "stable": { "tag":"v2.4.0" ,"flags":"--enable-verrou-fma"}, "current": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":""}, "current_fast": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, "dietzfelbinger": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--with-verrou-det-hash=dietzfelbinger --enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, "multiply_shift": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--with-verrou-det-hash=multiply_shift --enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, "double_tabulation":{ "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--with-verrou-det-hash=double_tabulation --enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, "mersenne_twister": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--with-verrou-det-hash=mersenne_twister --enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, "xxhash": { "valgrind":valgrind_version, "branch_verrou":branch ,"flags":"--with-verrou-det-hash=xxhash --enable-verrou-check-naninf=no --with-verrou-denorm-hack=none"}, #} #verrouConfigList={ # "current": { "valgrind":"valgrind-3.20.0", "branch_verrou":"master" ,"flags":""}, # "current-upgrade": { "valgrind":"valgrind-3.21.0", "branch_verrou":"bl/val3.21" ,"flags":""}, } valgrindConfigList={ "valgrind-3.17.0": {"file": "valgrind-3.17.0.tar.bz2", "url":"https://sourceware.org/pub/valgrind/valgrind-3.17.0.tar.bz2"}, "valgrind-3.19.0": {"file": "valgrind-3.19.0.tar.bz2", "url":"https://sourceware.org/pub/valgrind/valgrind-3.19.0.tar.bz2"}, "valgrind-3.20.0": {"file": "valgrind-3.20.0.tar.bz2", "url":"https://sourceware.org/pub/valgrind/valgrind-3.20.0.tar.bz2"}, "valgrind-3.21.0": {"file": "valgrind-3.21.0.tar.bz2", "url":"https://sourceware.org/pub/valgrind/valgrind-3.21.0.tar.bz2"}, "v2.3.1": {"file": "v2.3.1.tar.gz","url":"https://github.com/edf-hpc/verrou/releases/download/v2.3.1/valgrind-3.17.0_verrou-2.3.1.tar.gz"}, "v2.4.0": {"file": "v2.4.0.tar.gz","url":"https://github.com/edf-hpc/verrou/releases/download/v2.4.0/valgrind-3.20.0_verrou-2.4.0.tar.gz"}, } def runCmd(cmd): subprocess.call(cmd, shell=True) def buildConfig(name): buildRep="buildRep-"+name if name=="local": if not os.path.exists(buildRep): os.mkdir(buildRep) return verrouConfigParam=verrouConfigList[name] valgrindKey=None if "valgrind" in verrouConfigParam: valgrindKey=verrouConfigParam["valgrind"] if "tag" in verrouConfigParam: valgrindKey=verrouConfigParam["tag"] if valgrindKey==None: print("Error valgrind key needed") sys.exit(42) valgrindArchive=valgrindConfigList[valgrindKey]["file"] if not os.path.exists(valgrindArchive): valgrindUrl=valgrindConfigList[valgrindKey]["url"] runCmd("wget --output-document=%s %s"%(valgrindArchive,valgrindUrl)) if not os.path.exists(buildRep): if "valgrind" in verrouConfigParam: branch=verrouConfigParam["branch_verrou"] if "gitRepositoty" in verrouConfigParam: branch=verrouConfigParam["gitRepositoty"]+branch else: branch=gitRepositoty+branch runCmd("./buildConfig.sh %s %s %s \"%s\""%( buildRep, valgrindConfigList[verrouConfigParam["valgrind"]]["file"], branch, verrouConfigParam["flags"]) ) if "tag" in verrouConfigParam: runCmd("./buildTag.sh %s %s \"%s\""%( buildRep, valgrindConfigList[verrouConfigParam["tag"]]["file"], verrouConfigParam["flags"]) ) if __name__=="__main__": for name in verrouConfigList: buildConfig(name)
4,201
45.175824
195
py
verrou
verrou-master/check_perf_tools/gen_perf.py
#!/usr/bin/python3 import os import re import sys import subprocess from tabular import * roundingListPerf=["random", "average","nearest"] detRounding=["random_det","average_det", "random_comdet","average_comdet","random_scomdet","average_scomdet", "sr_monotonic"] buildConfigList=["stable","current", "current_fast"] buildSpecialConfigList=["dietzfelbinger", "multiply_shift","double_tabulation", "xxhash","mersenne_twister"] nbRunTuple=(5,5) #inner outer ref_name="current_fast" slowDown=True # buildConfigList=["current", "current-upgrade"] # ref_name="current" # buildSpecialConfigList=[] # detRounding=[] # nbRunTuple=(5,20) #inner outer # slowDown=False verrouOptionsList=[("","")] postFixTab=["O0-DOUBLE-FMA", "O3-DOUBLE-FMA", "O0-FLOAT-FMA", "O3-FLOAT-FMA"] #postFixTab=["O3-DOUBLE-FMA"] pathPerfBin="../unitTest/testPerf" perfBinNameList=["stencil-"+i for i in postFixTab] #perfBinNameList=["stencil-"+i for i in ["O3-DOUBLE"] ] perfCmdParam= "--scale=1 "+str(nbRunTuple[0]) def get_rounding_tab(name): if name in ["current","current_fast", "current-upgrade"]: return roundingListPerf+detRounding if name in buildConfigList: return roundingListPerf if name in buildSpecialConfigList: return detRounding def runCmd(cmd): subprocess.call(cmd, shell=True) def runPerfConfig(name): repMeasure="buildRep-%s/measure"%(name) print("working in %s"%(repMeasure)) if not os.path.exists(repMeasure): os.mkdir(repMeasure) for binName in perfBinNameList: for (optName, opt) in verrouOptionsList: roundingTab=get_rounding_tab(name) for rounding in roundingTab: cmd="valgrind --tool=verrou --rounding-mode=%s %s %s %s "%(rounding, optName, pathPerfBin+"/"+binName,perfCmdParam) toPrint=True for i in range(nbRunTuple[1]): outputName="buildRep-%s/measure/%s_%s_%s.%i"%(name, binName, optName, rounding, i) if not os.path.exists(outputName): if toPrint: print(cmd) toPrint=False if name!="local": runCmd(". ./buildRep-%s/install/env.sh ; %s > %s 2> %s"%(name,cmd,outputName, outputName+".err")) else: runCmd("%s > %s 2> %s"%(cmd,outputName, outputName+".err")) def runPerfRef(): repMeasure="measureRef" if not os.path.exists(repMeasure): os.mkdir(repMeasure) for binName in perfBinNameList: cmd="%s %s "%(pathPerfBin+"/"+binName,perfCmdParam) toPrint=True for i in range(nbRunTuple[1]): outputName="measureRef/%s.%i"%(binName, i) if not os.path.exists(outputName): if toPrint: print(cmd) toPrint=False runCmd("%s > %s 2> %s"%(cmd,outputName, outputName+".err")) timeRegExp = re.compile("@time of serial run:\s*\[(.+)\] secondes\s*") minTimeRegExp = re.compile("@mintime of serial run:\s*\[(.+)\] secondes\s*") def extractPerfMeasure(fileName): resTab=[] resMin=None for line in open(fileName).readlines(): m=timeRegExp.match(line) if m!=None: t=m.group(1) resTab+=[float(t)] continue m=minTimeRegExp.match(line) if m!=None: t=m.group(1) resMin=float(t) continue if resMin==None: print("No timer in file %s "%(fileName)) return {"min": resMin ,"tab":resTab} def joinMeasure(m1,m2): return {"min": min(m1["min"],m2["min"]), "tab": m1["tab"] + m2["tab"] } def extractPerf(name): res={} for binName in perfBinNameList: res[binName]={} for (optName, opt) in verrouOptionsList: res[binName][optName]={} for rounding in get_rounding_tab(name): resPerf=None for i in range(nbRunTuple[1]): outputName="buildRep-%s/measure/%s_%s_%s.%i"%(name, binName, optName, rounding, i) if resPerf==None: resPerf=extractPerfMeasure(outputName) else: resPerf=joinMeasure(resPerf,extractPerfMeasure(outputName)) res[binName][optName][rounding]=resPerf return res def extractPerfRef(): res={} for binName in perfBinNameList: res[binName]={} resPerf=None for i in range(nbRunTuple[1]): outputName="measureRef/%s.%i"%( binName, i) if resPerf==None: resPerf=extractPerfMeasure(outputName) else: resPerf=joinMeasure(resPerf,extractPerfMeasure(outputName)) res[binName]=resPerf return res def nonPerfRegressionAnalyze(data, refName, refOption=""): newVersionTab=[x for x in data.keys() if not x==refName] dataRef=data[refName] print("reference verrou version : %s"%(refName)) for newVersion in newVersionTab: print("verrou version : %s"%(newVersion)) for (optionStr, optionVal) in verrouOptionsList: print("\truntime verrou option : ", optionStr) dataNew=data[newVersion] roundingTab=get_rounding_tab(newVersion)# roundingListPerf +list(set(special_rounding(refName)).intersection(set(special_rounding(newVersion)))) for rounding in roundingTab: print("\t\trounding : %s "%(rounding)) for binName in perfBinNameList: minTimeRef=dataRef[binName][refOption][rounding]["min"] minTimeNew=dataNew[binName][optionStr][rounding]["min"] print("\t\t\t%s ratio: %.4f "%(binName, minTimeNew/minTimeRef)) def slowDownAnalyze(data): versionTab=[x for x in data.keys()] refData=extractPerfRef() for version in versionTab: print("verrou version : %s"%(version)) for (optionStr, optionVal) in verrouOptionsList: print("\t runtime verrou option : ", optionStr) dataNew=data[version] roundingTab= get_rounding_tab(name) #roundingListPerf + special_rounding(version) for rounding in roundingTab: print("\t\trounding : %s "%(rounding)) for binName in perfBinNameList: minTimeNew=dataNew[binName][optionStr][rounding]["min"] refTime=refData[binName]["min"] print("\t\t\t%s slowDown: x%.1f "%(binName, minTimeNew/refTime)) def feedPerfTab(data, buildList, detTab=["_det","_comdet"], extraRounding=[], optionStr=""): # codeTabName=[x.replace("FLOAT","float").replace("DOUBLE","double")for x in postFixTab] tab.begin() if len(postFixTab)==4: tab.lineMultiple([(1,"type"), (2,"double"),(2,"float") ]) if len(postFixTab)==1: tab.lineMultiple([(1,"type"), (1,"double")]) tab.endLine() if len(postFixTab)==4: tab.line(["compilation option", "O0", "O3","O0", "O3"]) if len(postFixTab)==1: tab.line(["compilation option", "O3"]) tab.endLine() tab.lineSep() roundingTab=[("nearest", "nearest", "current"),"SEPARATOR"] for rd in ["random","average"]: roundingTab+=[(rd, rd,"current")] for gen in buildList:#on supprime master for detType in detTab: roundingTab+=[(rd+detType+"("+gen+")",rd+detType,gen)] roundingTab+=["SEPARATOR"] roundingTab=roundingTab[0:-1] if extraRounding != []: roundingTab+=["SEPARATOR"] for rd in extraRounding: for gen in buildList:#on supprime master roundingTab+=[(rd+"("+gen+")",rd,gen)] refData=extractPerfRef() for confLine in roundingTab: if confLine=="SEPARATOR": tab.lineSep() continue head= [confLine[0]] def content(post, rounding, configure): binName="stencil-"+post minTimeNew=data[configure][binName][optionStr][rounding]["min"] refTime=refData[binName]["min"] slowDown="x%.1f "%(minTimeNew/refTime) return slowDown contentTab=[ content(post,confLine[1],confLine[2]) for post in postFixTab ] tab.line(head+contentTab) tab.endLine() tab.end() if __name__=="__main__": runCmd("make -C ../unitTest/testPerf/") for name in buildConfigList+buildSpecialConfigList: runPerfConfig(name) if slowDown: runPerfRef() resAll={} for name in buildConfigList+buildSpecialConfigList: resAll[name]=extractPerf(name) print(resAll) print("ref_name:",ref_name) nonPerfRegressionAnalyze(resAll, ref_name) print("") if slowDown: tab=tabularLatex("lcccc", output="slowDown_det.tex") feedPerfTab(resAll,buildSpecialConfigList, detTab=["_det"]) tab=tabularLatex("lcccc", output="slowDown_comdet.tex") feedPerfTab(resAll,buildSpecialConfigList, detTab=["_comdet"]) tab=tabularLatex("lcccc", output="slowDown_scomdet.tex") feedPerfTab(resAll,buildSpecialConfigList, detTab=["_scomdet"]) # tab=tabularLatex("lcccc", output="slowDown_doubleTab.tex") # feedPerfTab(resAll,["double_tabulation"], detTab=["_det","_comdet","_scomdet"]) tab=tabularLatex("lcccc", output="slowDown_xxhash.tex") feedPerfTab(resAll,["xxhash"], detTab=["_det","_comdet","_scomdet"], extraRounding=["sr_monotonic"]) sys.exit() tab=tabular() feedPerfTab(resAll,buildSpecialConfigList, detTab=["_det","_comdet"])
9,679
34.2
157
py
verrou
verrou-master/synchroLib/trace_verrou_synchro.py
#! /usr/bin/python3.5 # portions copyright 2001, Autonomous Zones Industries, Inc., all rights... # err... reserved and offered to the public under the terms of the # Python 2.2 license. # Author: Zooko O'Whielacronx # http://zooko.com/ # mailto:zooko@zooko.com # # Copyright 2000, Mojam Media, Inc., all rights reserved. # Author: Skip Montanaro # # Copyright 1999, Bioreason, Inc., all rights reserved. # Author: Andrew Dalke # # Copyright 1995-1997, Automatrix, Inc., all rights reserved. # Author: Skip Montanaro # # Copyright 1991-1995, Stichting Mathematisch Centrum, all rights reserved. # # # Permission to use, copy, modify, and distribute this Python software and # its associated documentation for any purpose without fee is hereby # granted, provided that the above copyright notice appears in all copies, # and that both that copyright notice and this permission notice appear in # supporting documentation, and that the name of neither Automatrix, # Bioreason or Mojam Media be used in advertising or publicity pertaining to # distribution of the software without specific, written prior permission. # """program/module to trace Python program or function execution Sample use, command line: trace.py -c -f counts --ignore-dir '$prefix' spam.py eggs trace.py -t --ignore-dir '$prefix' spam.py eggs trace.py --trackcalls spam.py eggs Sample use, programmatically import sys # create a Trace object, telling it what to ignore, and whether to # do tracing or line-counting or both. tracer = trace.Trace(ignoredirs=[sys.base_prefix, sys.base_exec_prefix,], trace=0, count=1) # run the new command using the given tracer tracer.run('main()') # make a report, placing output in /tmp r = tracer.results() r.write_results(show_missing=True, coverdir="/tmp") """ __all__ = ['Trace', 'CoverageResults'] import linecache import os import re import sys import token import tokenize import inspect import gc import dis import pickle from warnings import warn as _warn from time import monotonic as _time from verrouPyBinding import bindingSynchroLib try: import threading except ImportError: _settrace = sys.settrace def _unsettrace(): sys.settrace(None) else: def _settrace(func): threading.settrace(func) sys.settrace(func) def _unsettrace(): sys.settrace(None) threading.settrace(None) def _usage(outfile): outfile.write("""Usage: %s [OPTIONS] <file> [ARGS] Meta-options: --help Display this help then exit. --version Output version information then exit. Otherwise, exactly one of the following three options must be given: -t, --trace Print each line to sys.stdout before it is executed. -c, --count Count the number of times each line is executed and write the counts to <module>.cover for each module executed, in the module's directory. See also `--coverdir', `--file', `--no-report' below. -l, --listfuncs Keep track of which functions are executed at least once and write the results to sys.stdout after the program exits. -T, --trackcalls Keep track of caller/called pairs and write the results to sys.stdout after the program exits. -r, --report Generate a report from a counts file; do not execute any code. `--file' must specify the results file to read, which must have been created in a previous run with `--count --file=FILE'. Modifiers: -f, --file=<file> File to accumulate counts over several runs. -R, --no-report Do not generate the coverage report files. Useful if you want to accumulate over several runs. -C, --coverdir=<dir> Directory where the report files. The coverage report for <package>.<module> is written to file <dir>/<package>/<module>.cover. -m, --missing Annotate executable lines that were not executed with '>>>>>> '. -s, --summary Write a brief summary on stdout for each file. (Can only be used with --count or --report.) -g, --timing Prefix each line with the time since the program started. Only used while tracing. Filters, may be repeated multiple times: --ignore-module=<mod> Ignore the given module(s) and its submodules (if it is a package). Accepts comma separated list of module names --ignore-dir=<dir> Ignore files in the given directory (multiple directories can be joined by os.pathsep). """ % sys.argv[0]) PRAGMA_NOCOVER = "#pragma NO COVER" # Simple rx to find lines with no code. rx_blank = re.compile(r'^\s*(#.*)?$') class _Ignore: def __init__(self, modules=None, dirs=None): self._mods = set() if not modules else set(modules) self._dirs = [] if not dirs else [os.path.normpath(d) for d in dirs] self._ignore = { '<string>': 1 } def names(self, filename, modulename): if modulename in self._ignore: return self._ignore[modulename] # haven't seen this one before, so see if the module name is # on the ignore list. if modulename in self._mods: # Identical names, so ignore self._ignore[modulename] = 1 return 1 # check if the module is a proper submodule of something on # the ignore list for mod in self._mods: # Need to take some care since ignoring # "cmp" mustn't mean ignoring "cmpcache" but ignoring # "Spam" must also mean ignoring "Spam.Eggs". if modulename.startswith(mod + '.'): self._ignore[modulename] = 1 return 1 # Now check that filename isn't in one of the directories if filename is None: # must be a built-in, so we must ignore self._ignore[modulename] = 1 return 1 # Ignore a file when it contains one of the ignorable paths for d in self._dirs: # The '+ os.sep' is to ensure that d is a parent directory, # as compared to cases like: # d = "/usr/local" # filename = "/usr/local.py" # or # d = "/usr/local.py" # filename = "/usr/local.py" if filename.startswith(d + os.sep): self._ignore[modulename] = 1 return 1 # Tried the different ways, so we don't ignore this module self._ignore[modulename] = 0 return 0 def _modname(path): """Return a plausible module name for the patch.""" base = os.path.basename(path) filename, ext = os.path.splitext(base) return filename def _fullmodname(path): """Return a plausible module name for the path.""" # If the file 'path' is part of a package, then the filename isn't # enough to uniquely identify it. Try to do the right thing by # looking in sys.path for the longest matching prefix. We'll # assume that the rest is the package name. comparepath = os.path.normcase(path) longest = "" for dir in sys.path: dir = os.path.normcase(dir) if comparepath.startswith(dir) and comparepath[len(dir)] == os.sep: if len(dir) > len(longest): longest = dir if longest: base = path[len(longest) + 1:] else: base = path # the drive letter is never part of the module name drive, base = os.path.splitdrive(base) base = base.replace(os.sep, ".") if os.altsep: base = base.replace(os.altsep, ".") filename, ext = os.path.splitext(base) return filename.lstrip(".") class synchro_lib: def __init__(self): print("Debug trace_verrou_init") print("os.environ: ", os.environ) # self.lib=bindingSynchroLib("./verrouSynchroLib.so") self.lib=bindingSynchroLib() self.lib.verrou_synchro_init() def finalyze(self): print("Debug trace_verrou_finalize") self.lib.verrou_synchro_finalyze() def synchro(self,bname,lineno): print("Debug trace_verrou_synchro %s %i"%(bname,lineno)) self.lib.verrou_synchro(bname,lineno) class CoverageResults: def __init__(self, counts=None, calledfuncs=None, infile=None, callers=None, outfile=None): self.counts = counts if self.counts is None: self.counts = {} self.counter = self.counts.copy() # map (filename, lineno) to count self.calledfuncs = calledfuncs if self.calledfuncs is None: self.calledfuncs = {} self.calledfuncs = self.calledfuncs.copy() self.callers = callers if self.callers is None: self.callers = {} self.callers = self.callers.copy() self.infile = infile self.outfile = outfile if self.infile: # Try to merge existing counts file. try: with open(self.infile, 'rb') as f: counts, calledfuncs, callers = pickle.load(f) self.update(self.__class__(counts, calledfuncs, callers)) except (OSError, EOFError, ValueError) as err: print(("Skipping counts file %r: %s" % (self.infile, err)), file=sys.stderr) def is_ignored_filename(self, filename): """Return True if the filename does not refer to a file we want to have reported. """ return filename.startswith('<') and filename.endswith('>') def update(self, other): """Merge in the data from another CoverageResults""" counts = self.counts calledfuncs = self.calledfuncs callers = self.callers other_counts = other.counts other_calledfuncs = other.calledfuncs other_callers = other.callers for key in other_counts: counts[key] = counts.get(key, 0) + other_counts[key] for key in other_calledfuncs: calledfuncs[key] = 1 for key in other_callers: callers[key] = 1 def write_results(self, show_missing=True, summary=False, coverdir=None): """ @param coverdir """ if self.calledfuncs: print() print("functions called:") calls = self.calledfuncs for filename, modulename, funcname in sorted(calls): print(("filename: %s, modulename: %s, funcname: %s" % (filename, modulename, funcname))) if self.callers: print() print("calling relationships:") lastfile = lastcfile = "" for ((pfile, pmod, pfunc), (cfile, cmod, cfunc)) \ in sorted(self.callers): if pfile != lastfile: print() print("***", pfile, "***") lastfile = pfile lastcfile = "" if cfile != pfile and lastcfile != cfile: print(" -->", cfile) lastcfile = cfile print(" %s.%s -> %s.%s" % (pmod, pfunc, cmod, cfunc)) # turn the counts data ("(filename, lineno) = count") into something # accessible on a per-file basis per_file = {} for filename, lineno in self.counts: lines_hit = per_file[filename] = per_file.get(filename, {}) lines_hit[lineno] = self.counts[(filename, lineno)] # accumulate summary info, if needed sums = {} for filename, count in per_file.items(): if self.is_ignored_filename(filename): continue if filename.endswith(".pyc"): filename = filename[:-1] if coverdir is None: dir = os.path.dirname(os.path.abspath(filename)) modulename = _modname(filename) else: dir = coverdir if not os.path.exists(dir): os.makedirs(dir) modulename = _fullmodname(filename) # If desired, get a list of the line numbers which represent # executable content (returned as a dict for better lookup speed) if show_missing: lnotab = _find_executable_linenos(filename) else: lnotab = {} if lnotab: source = linecache.getlines(filename) coverpath = os.path.join(dir, modulename + ".cover") with open(filename, 'rb') as fp: encoding, _ = tokenize.detect_encoding(fp.readline) n_hits, n_lines = self.write_results_file(coverpath, source, lnotab, count, encoding) if summary and n_lines: percent = int(100 * n_hits / n_lines) sums[modulename] = n_lines, percent, modulename, filename if summary and sums: print("lines cov% module (path)") for m in sorted(sums): n_lines, percent, modulename, filename = sums[m] print("%5d %3d%% %s (%s)" % sums[m]) if self.outfile: # try and store counts and module info into self.outfile try: pickle.dump((self.counts, self.calledfuncs, self.callers), open(self.outfile, 'wb'), 1) except OSError as err: print("Can't save counts files because %s" % err, file=sys.stderr) def write_results_file(self, path, lines, lnotab, lines_hit, encoding=None): """Return a coverage results file in path.""" try: outfile = open(path, "w", encoding=encoding) except OSError as err: print(("trace: Could not open %r for writing: %s" "- skipping" % (path, err)), file=sys.stderr) return 0, 0 n_lines = 0 n_hits = 0 with outfile: for lineno, line in enumerate(lines, 1): # do the blank/comment match to try to mark more lines # (help the reader find stuff that hasn't been covered) if lineno in lines_hit: outfile.write("%5d: " % lines_hit[lineno]) n_hits += 1 n_lines += 1 elif rx_blank.match(line): outfile.write(" ") else: # lines preceded by no marks weren't hit # Highlight them if so indicated, unless the line contains # #pragma: NO COVER if lineno in lnotab and not PRAGMA_NOCOVER in line: outfile.write(">>>>>> ") n_lines += 1 else: outfile.write(" ") outfile.write(line.expandtabs(8)) return n_hits, n_lines def _find_lines_from_code(code, strs): """Return dict where keys are lines in the line number table.""" linenos = {} for _, lineno in dis.findlinestarts(code): if lineno not in strs: linenos[lineno] = 1 return linenos def _find_lines(code, strs): """Return lineno dict for all code objects reachable from code.""" # get all of the lineno information from the code of this scope level linenos = _find_lines_from_code(code, strs) # and check the constants for references to other code objects for c in code.co_consts: if inspect.iscode(c): # find another code object, so recurse into it linenos.update(_find_lines(c, strs)) return linenos def _find_strings(filename, encoding=None): """Return a dict of possible docstring positions. The dict maps line numbers to strings. There is an entry for line that contains only a string or a part of a triple-quoted string. """ d = {} # If the first token is a string, then it's the module docstring. # Add this special case so that the test in the loop passes. prev_ttype = token.INDENT with open(filename, encoding=encoding) as f: tok = tokenize.generate_tokens(f.readline) for ttype, tstr, start, end, line in tok: if ttype == token.STRING: if prev_ttype == token.INDENT: sline, scol = start eline, ecol = end for i in range(sline, eline + 1): d[i] = 1 prev_ttype = ttype return d def _find_executable_linenos(filename): """Return dict where keys are line numbers in the line number table.""" try: with tokenize.open(filename) as f: prog = f.read() encoding = f.encoding except OSError as err: print(("Not printing coverage data for %r: %s" % (filename, err)), file=sys.stderr) return {} code = compile(prog, filename, "exec") strs = _find_strings(filename, encoding) return _find_lines(code, strs) class Trace: def __init__(self, count=1, trace=1, countfuncs=0, countcallers=0, ignoremods=(), ignoredirs=(), infile=None, outfile=None, timing=False): """ @param count true iff it should count number of times each line is executed @param trace true iff it should print out each line that is being counted @param countfuncs true iff it should just output a list of (filename, modulename, funcname,) for functions that were called at least once; This overrides `count' and `trace' @param ignoremods a list of the names of modules to ignore @param ignoredirs a list of the names of directories to ignore all of the (recursive) contents of @param infile file from which to read stored counts to be added into the results @param outfile file in which to write the results @param timing true iff timing information be displayed """ self.infile = infile self.outfile = outfile self.ignore = _Ignore(ignoremods, ignoredirs) self.counts = {} # keys are (filename, linenumber) self.pathtobasename = {} # for memoizing os.path.basename self.donothing = 0 self.trace = trace self._calledfuncs = {} self._callers = {} self._caller_cache = {} self.start_time = None self.synchroLib= synchro_lib() if timing: self.start_time = _time() if countcallers: self.globaltrace = self.globaltrace_trackcallers elif countfuncs: self.globaltrace = self.globaltrace_countfuncs elif trace and count: self.globaltrace = self.globaltrace_lt self.localtrace = self.localtrace_trace_and_count elif trace: self.globaltrace = self.globaltrace_lt self.localtrace = self.localtrace_trace elif count: self.globaltrace = self.globaltrace_lt self.localtrace = self.localtrace_count else: self.globaltrace = self.globaltrace_lt self.localtrace = self.localtrace_verrou # Ahem -- do nothing? Okay. #self.donothing = 1 def run(self, cmd): import __main__ dict = __main__.__dict__ self.runctx(cmd, dict, dict) def runctx(self, cmd, globals=None, locals=None): if globals is None: globals = {} if locals is None: locals = {} if not self.donothing: _settrace(self.globaltrace) try: self.synchroLib.synchro("runctx",0) exec(cmd, globals, locals) finally: if not self.donothing: _unsettrace() self.synchroLib.finalyze() def runfunc(self, func, *args, **kw): result = None if not self.donothing: sys.settrace(self.globaltrace) try: result = func(*args, **kw) finally: if not self.donothing: sys.settrace(None) return result def file_module_function_of(self, frame): code = frame.f_code filename = code.co_filename if filename: modulename = _modname(filename) else: modulename = None funcname = code.co_name clsname = None if code in self._caller_cache: if self._caller_cache[code] is not None: clsname = self._caller_cache[code] else: self._caller_cache[code] = None ## use of gc.get_referrers() was suggested by Michael Hudson # all functions which refer to this code object funcs = [f for f in gc.get_referrers(code) if inspect.isfunction(f)] # require len(func) == 1 to avoid ambiguity caused by calls to # new.function(): "In the face of ambiguity, refuse the # temptation to guess." if len(funcs) == 1: dicts = [d for d in gc.get_referrers(funcs[0]) if isinstance(d, dict)] if len(dicts) == 1: classes = [c for c in gc.get_referrers(dicts[0]) if hasattr(c, "__bases__")] if len(classes) == 1: # ditto for new.classobj() clsname = classes[0].__name__ # cache the result - assumption is that new.* is # not called later to disturb this relationship # _caller_cache could be flushed if functions in # the new module get called. self._caller_cache[code] = clsname if clsname is not None: funcname = "%s.%s" % (clsname, funcname) return filename, modulename, funcname def globaltrace_trackcallers(self, frame, why, arg): """Handler for call events. Adds information about who called who to the self._callers dict. """ if why == 'call': # XXX Should do a better job of identifying methods this_func = self.file_module_function_of(frame) parent_func = self.file_module_function_of(frame.f_back) self._callers[(parent_func, this_func)] = 1 def globaltrace_countfuncs(self, frame, why, arg): """Handler for call events. Adds (filename, modulename, funcname) to the self._calledfuncs dict. """ if why == 'call': this_func = self.file_module_function_of(frame) self._calledfuncs[this_func] = 1 def globaltrace_lt(self, frame, why, arg): """Handler for call events. If the code block being entered is to be ignored, returns `None', else returns self.localtrace. """ if why == 'call': self.synchroLib.synchro("globaltrace_lt",0) code = frame.f_code filename = frame.f_globals.get('__file__', None) if filename: # XXX _modname() doesn't work right for packages, so # the ignore support won't work right for packages modulename = _modname(filename) if modulename is not None: ignore_it = self.ignore.names(filename, modulename) if not ignore_it: if self.trace: print((" --- modulename: %s, funcname: %s" % (modulename, code.co_name))) return self.localtrace else: return None def localtrace_trace_and_count(self, frame, why, arg): if why == "line": # record the file name and line number of every trace filename = frame.f_code.co_filename lineno = frame.f_lineno key = filename, lineno self.counts[key] = self.counts.get(key, 0) + 1 if self.start_time: print('%.2f' % (_time() - self.start_time), end=' ') bname = os.path.basename(filename) print("%s(%d): %s" % (bname, lineno, linecache.getline(filename, lineno)), end='') self.synchroLib.synchro(bname,lineno) return self.localtrace def localtrace_trace(self, frame, why, arg): if why == "line": # record the file name and line number of every trace filename = frame.f_code.co_filename lineno = frame.f_lineno if self.start_time: print('%.2f' % (_time() - self.start_time), end=' ') bname = os.path.basename(filename) print("%s(%d): %s" % (bname, lineno, linecache.getline(filename, lineno)), end='') self.synchroLib.synchro(bname,lineno) return self.localtrace def localtrace_count(self, frame, why, arg): if why == "line": filename = frame.f_code.co_filename lineno = frame.f_lineno key = filename, lineno self.counts[key] = self.counts.get(key, 0) + 1 self.synchroLib.synchro(filename,lineno) return self.localtrace def localtrace_verrou(self, frame, why, arg): if why == "line": filename = frame.f_code.co_filename lineno = frame.f_lineno self.synchroLib.synchro(filename,lineno) return self.localtrace def results(self): return CoverageResults(self.counts, infile=self.infile, outfile=self.outfile, calledfuncs=self._calledfuncs, callers=self._callers) def _err_exit(msg): sys.stderr.write("%s: %s\n" % (sys.argv[0], msg)) sys.exit(1) def main(argv=None): import getopt if argv is None: argv = sys.argv try: opts, prog_argv = getopt.getopt(argv[1:], "tcrRf:d:msC:lTg", ["help", "version", "trace", "count", "report", "no-report", "summary", "file=", "missing", "ignore-module=", "ignore-dir=", "coverdir=", "listfuncs", "trackcalls", "timing"]) except getopt.error as msg: sys.stderr.write("%s: %s\n" % (sys.argv[0], msg)) sys.stderr.write("Try `%s --help' for more information\n" % sys.argv[0]) sys.exit(1) trace = 0 count = 0 report = 0 no_report = 0 verrou = 1 counts_file = None missing = 0 ignore_modules = [] ignore_dirs = [] coverdir = None summary = 0 listfuncs = False countcallers = False timing = False for opt, val in opts: if opt == "--help": _usage(sys.stdout) sys.exit(0) if opt == "--version": sys.stdout.write("trace 2.0\n") sys.exit(0) if opt == "-T" or opt == "--trackcalls": countcallers = True continue if opt == "-l" or opt == "--listfuncs": listfuncs = True continue if opt == "-g" or opt == "--timing": timing = True continue if opt == "-t" or opt == "--trace": trace = 1 continue if opt == "-c" or opt == "--count": count = 1 continue if opt == "-r" or opt == "--report": report = 1 continue if opt == "-R" or opt == "--no-report": no_report = 1 continue if opt == "-f" or opt == "--file": counts_file = val continue if opt == "-m" or opt == "--missing": missing = 1 continue if opt == "-C" or opt == "--coverdir": coverdir = val continue if opt == "-s" or opt == "--summary": summary = 1 continue if opt == "--ignore-module": for mod in val.split(","): ignore_modules.append(mod.strip()) continue if opt == "--ignore-dir": for s in val.split(os.pathsep): s = os.path.expandvars(s) # should I also call expanduser? (after all, could use $HOME) s = s.replace("$prefix", os.path.join(sys.base_prefix, "lib", "python" + sys.version[:3])) s = s.replace("$exec_prefix", os.path.join(sys.base_exec_prefix, "lib", "python" + sys.version[:3])) s = os.path.normpath(s) ignore_dirs.append(s) continue assert 0, "Should never get here" if listfuncs and (count or trace): _err_exit("cannot specify both --listfuncs and (--trace or --count)") if not (count or trace or report or listfuncs or countcallers or verrou): _err_exit("must specify one of --trace, --count, --report, " "--listfuncs, or --trackcalls") if report and no_report: _err_exit("cannot specify both --report and --no-report") if report and not counts_file: _err_exit("--report requires a --file") if no_report and len(prog_argv) == 0: _err_exit("missing name of file to run") # everything is ready if report: results = CoverageResults(infile=counts_file, outfile=counts_file) results.write_results(missing, summary=summary, coverdir=coverdir) else: sys.argv = prog_argv progname = prog_argv[0] sys.path[0] = os.path.split(progname)[0] t = Trace(count, trace, countfuncs=listfuncs, countcallers=countcallers, ignoremods=ignore_modules, ignoredirs=ignore_dirs, infile=counts_file, outfile=counts_file, timing=timing) try: t.synchroLib.synchro("compile",0) with open(progname) as fp: code = compile(fp.read(), progname, 'exec') # try to emulate __main__ namespace as much as possible globs = { '__file__': progname, '__name__': '__main__', '__package__': None, '__cached__': None, } t.runctx(code, globs, globs) except OSError as err: _err_exit("Cannot run file %r because: %s" % (sys.argv[0], err)) except SystemExit: pass results = t.results() if not no_report: results.write_results(missing, summary=summary, coverdir=coverdir) # Deprecated API def usage(outfile): _warn("The trace.usage() function is deprecated", DeprecationWarning, 2) _usage(outfile) class Ignore(_Ignore): def __init__(self, modules=None, dirs=None): _warn("The class trace.Ignore is deprecated", DeprecationWarning, 2) _Ignore.__init__(self, modules, dirs) def modname(path): _warn("The trace.modname() function is deprecated", DeprecationWarning, 2) return _modname(path) def fullmodname(path): _warn("The trace.fullmodname() function is deprecated", DeprecationWarning, 2) return _fullmodname(path) def find_lines_from_code(code, strs): _warn("The trace.find_lines_from_code() function is deprecated", DeprecationWarning, 2) return _find_lines_from_code(code, strs) def find_lines(code, strs): _warn("The trace.find_lines() function is deprecated", DeprecationWarning, 2) return _find_lines(code, strs) def find_strings(filename, encoding=None): _warn("The trace.find_strings() function is deprecated", DeprecationWarning, 2) return _find_strings(filename, encoding=None) def find_executable_linenos(filename): _warn("The trace.find_executable_linenos() function is deprecated", DeprecationWarning, 2) return _find_executable_linenos(filename) if __name__=='__main__': main()
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verrou
verrou-master/synchroLib/verrouPyBinding.py
#!/usr/bin/python3 import sys, platform import ctypes, ctypes.util import os import os.path class bindingSynchroLib: def __init__(self, pathLib=None): if(pathLib!=None): self.lib=ctypes.CDLL(pathLib) else: self.lib=ctypes.CDLL(searchDefaultPath("verrouSynchroLib.so") ) self.lib.verrou_synchro.argtypes = [ ctypes.c_char_p, ctypes.c_int] def verrou_synchro_init(self): print("bindingSynchroLib : verrou_synchro_init") self.lib.verrou_synchro_init() def verrou_synchro_finalyze(self): print("bindingSynchroLib : verrou_synchro_finalyze") self.lib.verrou_synchro_finalyze() def verrou_synchro(self,string, index): print("bindingSynchroLib : verrou_synchro", string, index) self.lib.verrou_synchro(string.encode('utf-8'), index) class bindingVerrouCLib: def __init__(self, pathLib): if(pathLib!=None): self.lib=ctypes.CDLL(pathLib) else: self.lib=ctypes.CDLL(searchDefaultPath("verrouCBindingLib.so") ) self.lib=ctypes.CDLL(pathLib) self.lib.c_verrou_start_instrumentation.argtypes = [] self.lib.c_verrou_stop_instrumentation.argtypes = [] self.lib.c_verrou_start_determinitic.argtypes = [ctypes.c_int] self.lib.c_verrou_stop_determinitic.argtypes = [ctypes.c_int] self.lib.c_verrou_display_counters.argtypes = [] self.lib.c_verrou_dump_cover.argtypes= [] self.lib.c_verrou_dump_cover.restype= ctypes.c_uint self.lib.c_verrou_count_fp_instrumented.argtypes= [] self.lib.c_verrou_count_fp_not_instrumented.argtypes= [] self.lib.c_verrou_count_fp_instrumented.restype= ctypes.c_uint self.lib.c_verrou_count_fp_not_instrumented.restype= ctypes.c_uint def verrou_start_instrumentation(self): self.lib.c_verrou_start_instrumentation() def verrou_stop_instrumentation(self): self.lib.c_verrou_stop_instrumentation() def verrou_start_determinitic (self, level): self.lib.c_verrou_start_determinitic(level) def verrou_stop_determinitic (self, level): self.lib.c_verrou_stop_determinitic(level) def verrou_dump_cover(self): return self.lib.c_verrou_dump_cover(); def verrou_display_counters(self): self.lib.c_verrou_display_counters() def verrou_count_fp_instrumented(self): return self.lib.c_verrou_count_fp_instrumented() def verrou_count_fp_not_instrumented(self): return self.lib.c_verrou_count_fp_not_instrumented() def searchDefaultPath(fileName): dirName=os.path.dirname(os.path.abspath(__file__)) pathPrefixTab=["./", dirName, os.path.join(dirName, "..", "lib")] print(pathPrefixTab, file=sys.stderr) for pathPrefix in pathPrefixTab: absPath=os.path.join(pathPrefix, fileName) if os.path.exists(absPath): print("absPath: ", absPath,file=sys.stderr) return absPath print("FileName %s not found"%(fileName),file=sys.stderr) sys.exit(42) if __name__=="__main__": verrouSynchroLib="./verrouSynchroLib.so" verrouCBindingLib="./verrouCBindingLib.so" bindVerrou=bindingVerrouCLib(verrouCBindingLib) bindVerrou.verrou_stop_instrumentation() bindVerrou.verrou_display_counters() # print("dumpCover : ",bindVerrou.verrou_dump_cover()) # print("dumpCover : ",bindVerrou.verrou_dump_cover()) # print("dumpCover : ",bindVerrou.verrou_dump_cover()) print("avt a binding fp: ", bindVerrou.verrou_count_fp_instrumented()) print("avt a binding not fp: ", bindVerrou.verrou_count_fp_not_instrumented()) a=3.*4. print(a) print("apres a binding fp: ", bindVerrou.verrou_count_fp_instrumented()) print("apres a binding not fp: ", bindVerrou.verrou_count_fp_not_instrumented()) bindSynchro=bindingSynchroLib(verrouSynchroLib) bindSynchro.verrou_synchro_init() bindSynchro.verrou_synchro("toto",10) bindVerrou.verrou_display_counters() bindVerrou.verrou_start_instrumentation() a=3.*4 bindVerrou.verrou_stop_instrumentation() bindSynchro.verrou_synchro("toto",10) bindVerrou.verrou_start_instrumentation() a*=5 bindVerrou.verrou_stop_instrumentation() print(a) bindSynchro.verrou_synchro("toto",10) bindSynchro.verrou_synchro_finalyze()
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verrou
verrou-master/synchroLib/tstDDPython/Muller.py
#!/usr/bin/python3 def muller(nt,verbose=False): x0 = 11./2.; x1 = 61./11.; for it in range(nt): temp0 = 3000./x0; temp1 = 1130. - temp0; temp2 = temp1 /x1 ; x2 = 111. - temp2; if verbose: print("it: %i\tx2: %f\ttemp0: %f\ttemp1: %f\ttemp2: %f"%(it,x2,temp0,temp1,temp2)) x0 = x1; x1 = x2; print("x[%i]=%f"%(nt,x1)) if __name__=="__main__": muller(12)
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verrou
verrou-master/synchroLib/tstDDPython/extractOrCmp.py
#!/usr/bin/python3 import sys import os def extractValue(rep): lines=(open(os.path.join(rep,"res.dat")).readlines()) for line in lines: if line.startswith("x[12]="): return float(line.partition("=")[2]) return None if __name__=="__main__": if len(sys.argv)==2: print(extractValue(sys.argv[1])) if len(sys.argv)==3: valueRef=extractValue(sys.argv[1]) value=extractValue(sys.argv[2]) relDiff=abs((value-valueRef)/valueRef) if relDiff < 1.e-2: sys.exit(0) else: sys.exit(1)
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verrou-master/unitTest/check-verrou-dd-synchro/cmp.py
#!/usr/bin/python3 import sys import os def extract(rep): fileName=os.path.join(rep,"res.out") value=float(open(fileName).readline().split(":")[1]) return value def cmpRep(repRef,rep): valueRef=extract(repRef) value=extract(rep) print("valueRef: ",valueRef) print("value: ",value) return abs(value -valueRef) < 0.05*abs(valueRef) if __name__=="__main__": if len(sys.argv)==3: ok=cmpRep(sys.argv[1],sys.argv[2]) if ok: sys.exit(0) else: sys.exit(1) if len(sys.argv)==2: print(extract(sys.argv[1])) sys.exit(0) print("Use one or two args") sys.exit(1)
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verrou
verrou-master/unitTest/check-libM/genTab.py
#!/usr/bin/env python3 import sys import math def readFile(fileName): data=(open(fileName).readlines()) keyData=data[0].split() brutData=[line.split() for line in data[1:]] res={} for index in range(len(keyData)): fileNameKey=fileName.replace("res","") dataIndex=[float(line[index]) for line in brutData] res[keyData[index]]=(min(dataIndex),max(dataIndex)) return res def computeEvalError(dataNative, data): res={} for key in dataNative.keys(): resIEEE=float(dataNative[key][0]) evalError= - math.log2(max(abs(data[key][1] - resIEEE), abs(data[key][0] - resIEEE)) / resIEEE) res[key]=evalError return res def loadRef(fileName, num=2): res={} for line in open(fileName): spline=line.split(":") typeRealtype=spline[0].split()[0] correction=spline[0].split()[1] nbBitStr=spline[1].strip() if nbBitStr in ["24","53"]: res[(typeRealtype, correction)]=float(nbBitStr) continue [valueLow,valueUp]=nbBitStr[1:-1].split(",") if(float(valueUp)!=float(valueLow)): print("Please Increase the mpfi precision") sys.exit() value=float(valueUp) res[(typeRealtype, correction)]=value return res def main(reference=None): output=open("tabAster.tex","w") outputReg=open("testReg","w") keys=["Native", "Randominterlibm", "Randomverrou", "Randomverrou+interlibm"] data={} strLatex="" for i in range(len(keys)): key=keys[i] data[key]=readFile("res"+key+".dat") # for key in sorted(keys[1:]): for i in range(1,len(keys)): key=keys[i] outputReg.write(key+"\n") evalError=computeEvalError(data["Native"], data[key]) for keyCase in sorted(evalError.keys()): outputReg.write(keyCase +" "+str(evalError[keyCase])+"\n") output.write(r"\begin{table}" +" \n") output.write(r"\begin{center}" +" \n") output.write(r"\begin{tabular}{l@{~}lccccc}\toprule" +" \n") output.write(r"& & \multicolumn{2}{c}{single precision}& \multicolumn{2}{c}{double precision}\\"+"\n"+ r"&& first & second & first & second \\ \midrule"+"\n") if reference!=None: output.write("&IEEE Error & %.2f & %.2f & %.2f & %.2f"%( reference[("Float","Before")],reference[("Float","After")], reference[("Double","Before")], reference[("Double","After")]) + r"\\\midrule"+"\n") for i in range(1,len(keys)): key=keys[i] evalError=computeEvalError(data["Native"], data[key]) keyConvert={"Randominterlibm": r"\textit{(i)}&interlibm", "Randomverrou": r"\textit{(ii)}&verrou", "Randomverrou+interlibm":r"\textit{(iii)}&verrou+interlib"} lineStr=keyConvert[key]+ " " for typeFP in ["Float","Double"]: lineStr+=r"&%.2f & %.2f "%(evalError["BeforeCorrection_"+typeFP], evalError["AfterCorrection_"+typeFP]) lineStr+=r"\\"+"\n" output.write(lineStr) output.write(r"\bottomrule"+"\n") output.write(r"\end{tabular}"+"\n") output.write(r"\end{center}" +" \n") output.write(r"\caption{Number of significant bits for 4~implementations of function $f(a, a+6.ulp(a))$, as assessed by 3~techniques.}"+"\n") output.write(r"\label{sdAster}"+"\n") output.write(r"\end{table}"+"\n") if __name__=="__main__": reference=loadRef("reference.dat") if len(reference)!=4: reference=None main(reference)
3,645
33.396226
145
py
verrou
verrou-master/unitTest/checkRounding/runCheck.py
#!/usr/bin/env python3 # This file is part of Verrou, a FPU instrumentation tool. # Copyright (C) 2014-2021 EDF # F. Févotte <francois.fevotte@edf.fr> # B. Lathuilière <bruno.lathuiliere@edf.fr> # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation; either version 2.1 of the # License, or (at your option) any later version. # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # General Public License for more details. # You should have received a copy of the GNU Lesser General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA # 02111-1307, USA. # The GNU Lesser General Public License is contained in the file COPYING. import os import sys import subprocess as sp import shlex import re stdRounding=["nearest", "toward_zero", "downward", "upward" ] valgrindRounding=stdRounding + ["random", "random_det", "random_comdet", "random_scomdet", "sr_monotonic", "average", "average_det", "average_comdet","average_scomdet", "float", "farthest", "memcheck" ,"ftz", "away_zero", "prandom", "prandom_0.5", "prandom_det", "prandom_comdet" ] def printRes(res): print("stdout:") for line in res[0 ]: print(line[0:-1]) print("cerr :") for line in res[1 ]: print(line[0:-1]) def runCmd(cmd,expectedResult=0, printCmd=True, printCwd=True): if printCmd: print("Cmd:", cmd) if printCwd: print("Cwd:", os.getcwd()) #lancement de la commande process=sp.Popen(args=shlex.split(cmd), stdout=sp.PIPE, stderr=sp.PIPE) (resStdStr, resErrStr)=process.communicate() resStd=resStdStr.decode('utf8').splitlines() resErr=resErrStr.decode('utf8').splitlines() error=process.wait() #Traitement des erreurs if error !=expectedResult: msg = "Error with the execution of : " +cmd+"\n" msg+= "\t error is " +str(error) +"\n" msg+= "\t expectedResult is " +str(expectedResult) print(msg) printRes((resStd, resErr)) sys.exit(42) return (resStd, resErr) class cmdPrepare: def __init__(self, arg): self.valgrindPath=os.path.join(os.environ["INSTALLPATH"], "bin", "valgrind") self.execPath=arg def run(self,env="fenv", rounding="nearest"): self.checkRounding(env, rounding) cmd=None if env=="fenv": cmd=self.execPath + " fenv "+ rounding if env=="valgrind": if rounding=="memcheck": cmd=self.valgrindPath + " --tool=memcheck " +self.execPath +" valgrind" else: roundingStr=rounding for prand in ["prandom_det_", "prandom_comdet_", "prandom_"]: if rounding in ["prandom_det", "prandom_comdet", "prandom"]: break if rounding.startswith(prand): end=rounding.replace(prand,"") value=float(end) roundingStr=prand.replace("_","")+" --prandom-pvalue="+end break cmd=self.valgrindPath + " --tool=verrou --vr-verbose=no --check-inf=no --rounding-mode=" + roundingStr+ " " +self.execPath +" valgrind" return runCmd(cmd) # print cmd def checkRounding(self, env, rounding): if env=="fenv" and rounding in stdRounding: return True if env=="valgrind" and rounding in valgrindRounding: return True print("Failure in checkRounding") sys.exit(-1) def generatePairOfAvailableComputation(): res=[] for i in stdRounding: res+=[("fenv", i)] for i in valgrindRounding: res+=[("valgrind", i)] return res def verrouCerrFilter(res): pidStr=(res[0].split())[0] pidStrBis=pidStr.replace("==","--") # pidStr="==2958==" newRes=[] for line in res: newLine=line.replace(pidStr, "").replace(pidStrBis, "") if newLine.startswith(" Backend verrou simulating ") and newLine.endswith(" rounding mode"): continue if newLine.startswith(" First seed : "): continue if (newLine.strip()).startswith("PRANDOM: pvalue="): continue newRes+=[newLine] return newRes def getDiff(outPut, testName): for line in outPut[0]: if line.startswith(testName+":"): return float(line.split()[-1]) print("unknown testName: ", testName) return None class errorCounter: def __init__(self,ok=0,ko=0,warn=0): self.ok=ok self.ko=ko self.warn=warn def incOK(self, v): self.ok+=v def incKO(self, v): self.ko+=v def incWarn(self, v): self.warn+=v def add(self, tupleV): self.ok =tupleV[0] self.ko =tupleV[1] self.warn=tupleV[2] def __add__(self, v): self.ok += v.ok self.ko += v.ko self.warn+= v.warn return self def printSummary(self): print("error summary") print("\tOK : "+str(self.ok)) print("\tKO : "+str(self.ko)) print("\tWarning : "+str(self.warn)) def checkVerrouInvariant(allResult): ref=allResult[("valgrind", "nearest")][1] ko=0 ok=0 for rounding in valgrindRounding: if rounding in ["nearest", "memcheck"]: #nearest : because it is the ref #memcheck : because it is not verrou continue (cout, cerr)=allResult[("valgrind", rounding)] if cerr!=ref: for i in range(len(ref)): if cerr[i]!=ref[i]: print("cerr:", cerr[i]) print("ref: ", ref[i],"\n") print("KO : incoherent number of operation ("+rounding+")") ko+=1 else: print("OK : coherent number of operation ("+rounding+")") ok+=1 return errorCounter(ok, ko, 0) def diffRes(res1, res2): if len(res1)!=len(res2): print("Wrong number of line") print("fenv", res1) print("val", res2) sys.exit(-1) else: acc=0 for i in range(len(res1)): line1=res1[i] line2=res2[i] if line1 !=line2: print("\tfenv: "+line1.strip()) print("\tfval: "+line2.strip()+"\n") acc+=1 return acc def checkRoundingInvariant(allResult): ok=0 ko=0 for rounding in stdRounding: fenvRes=(allResult["fenv", rounding])[0] valRes=(allResult["valgrind", rounding])[0] if fenvRes!=valRes: print("KO : incoherent comparison between fenv and valgrind ("+rounding+")") ko+=diffRes(fenvRes, valRes) else: ok+=1 print("OK : coherent comparison between fenv and valgrind ("+rounding+")") return errorCounter(ok, ko, 0) # def checkOrder(testName, *args): # tabValue=[x[0] for x in args] # nameValue=[x[0] for x in args] # for i in range(len(tabValue)-1): class assertRounding: def __init__(self, testName): self.testName=testName self.diff_nearestMemcheck=getDiff(allResult[("valgrind", "memcheck")], testName) self.diff_nearestNative=getDiff(allResult[("fenv", "nearest")], testName) self.diff_toward_zeroNative =getDiff(allResult[("fenv", "toward_zero")], testName) self.diff_downwardNative =getDiff(allResult[("fenv", "downward")], testName) self.diff_upwardNative =getDiff(allResult[("fenv", "upward")], testName) self.diff_nearest =getDiff(allResult[("valgrind", "nearest")], testName) self.diff_toward_zero =getDiff(allResult[("valgrind", "toward_zero")], testName) self.diff_away_zero =getDiff(allResult[("valgrind", "away_zero")], testName) self.diff_downward =getDiff(allResult[("valgrind", "downward")], testName) self.diff_upward =getDiff(allResult[("valgrind", "upward")], testName) self.diff_float =getDiff(allResult[("valgrind", "float")], testName) self.diff_farthest =getDiff(allResult[("valgrind", "farthest")], testName) self.diff_ftz =getDiff(allResult[("valgrind", "ftz")], testName) self.diff_random =getDiff(allResult[("valgrind", "random")], testName) self.diff_random_det =getDiff(allResult[("valgrind", "random_det")], testName) self.diff_random_comdet =getDiff(allResult[("valgrind", "random_comdet")], testName) self.diff_random_scomdet=getDiff(allResult[("valgrind", "random_scomdet")], testName) self.diff_prandom =getDiff(allResult[("valgrind", "prandom")], testName) self.diff_prandom_half =getDiff(allResult[("valgrind", "prandom_0.5")], testName) self.diff_prandom_det =getDiff(allResult[("valgrind", "prandom_det")], testName) self.diff_prandom_comdet =getDiff(allResult[("valgrind", "prandom_comdet")], testName) self.diff_average =getDiff(allResult[("valgrind", "average")], testName) self.diff_average_det =getDiff(allResult[("valgrind", "average_det")], testName) self.diff_average_comdet =getDiff(allResult[("valgrind", "average_comdet")], testName) self.diff_average_scomdet =getDiff(allResult[("valgrind", "average_scomdet")], testName) self.diff_sr_monotonic =getDiff(allResult[("valgrind", "sr_monotonic")], testName) self.KoStr="Warning" self.warnBool=True self.ok=0 self.warn=0 self.ko=0 self.assertEqual("nearestNative", "nearestMemcheck") if self.ok!=0: self.KoStr="KO" self.warnBool=False def getValue(self, str1): return eval("self.diff_"+str1) def printKo(self, str): print(self.KoStr+" : "+self.testName+ " "+str) if self.warnBool: self.warn+=1 else: self.ko+=1 def printOk(self, str): print("OK : "+self.testName+ " "+str) self.ok+=1 def assertEqValue(self, str1, value): value1=eval("self.diff_"+str1) value2=value if value1!= value2: self.printKo(str1+ "!=" +str(value2) + " "+str(value1)) else: self.printOk(str1+ "="+str(value)) def assertEqual(self, str1, str2): value1= eval("self.diff_"+str1) value2= eval("self.diff_"+str2) if value1!= value2: self.printKo(str1+ "!="+str2 + " "+str(value1) + " " +str(value2)) else: self.printOk(str1+ "="+str2) def assertLeq(self, str1, str2): value1= eval("self.diff_"+str1) value2= eval("self.diff_"+str2) if value1 <= value2: self.printOk(str1+ "<="+str2) else: self.printKo(str1+ ">"+str2 + " "+str(value1) + " " +str(value2)) def assertDiff(self, str1, str2): value1= eval("self.diff_"+str1) value2= eval("self.diff_"+str2) if value1 != value2: self.printOk(str1+ "!="+str2) else: self.printKo(str1+ "=="+str2 + " "+str(value1) + " " +str(value2)) def assertLess(self, str1, str2): value1= eval("self.diff_"+str1) value2= eval("self.diff_"+str2) if value1 < value2: self.printOk(str1+ "<"+str2) else: self.printKo(str1+ ">="+str2 + " "+str(value1) + " " +str(value2)) def assertAbsLess(self, str1, str2): value1= abs(eval("self.diff_"+str1)) value2= abs(eval("self.diff_"+str2)) if value1 < value2: self.printOk("|"+str1+ "| < |"+str2+"|") else: self.printKo("|"+str1+ "| >= |"+str2+"|" + " "+str(value1) + " " +str(value2)) def assertNative(self): for rd in ["nearest", "toward_zero", "downward", "upward"]: self.assertEqual(rd, rd+"Native") def checkTestPositiveAndOptimistRandomVerrou(allResult,testList,typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "downward") testCheck.assertEqual("away_zero", "upward") testCheck.assertLeq("downward", "nearest") testCheck.assertLeq("downward", "farthest") testCheck.assertLeq("farthest", "upward") testCheck.assertLeq("nearest", "upward") for rnd in [ "upward", "prandom_half", "sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"]] + [ x+y for x in ["random", "average"] for y in ["_scomdet"]]: testCheck.assertLess("downward", rnd) for rnd in [ "prandom_half", "sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"] ] + [ x+y for x in ["random", "average"] for y in ["_scomdet"]]: testCheck.assertLess(rnd, "upward") for avg in ["average","average_det","average_comdet","average_scomdet","sr_monotonic"]: testCheck.assertAbsLess(avg, "random") testCheck.assertAbsLess(avg, "prandom_half") testCheck.assertAbsLess(avg, "random_det") testCheck.assertAbsLess(avg, "upward") testCheck.assertAbsLess(avg, "downward") testCheck.assertAbsLess(avg, "nearest") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkFloat(allResult, testList): ok=0 warn=0 ko=0 for test in testList: testCheckFloat=assertRounding(test+"<float>") testCheckDouble=assertRounding(test+"<double>") testCheckFloat.assertEqual("nearest", "float") testCheckDouble.assertEqValue("float", testCheckFloat.getValue("nearest")) ok+=testCheckFloat.ok ko+=testCheckFloat.ko warn+=testCheckFloat.warn ok+=testCheckDouble.ok ko+=testCheckDouble.ko warn+=testCheckDouble.warn return errorCounter(ok, ko, warn) def checkTestNegativeAndOptimistRandomVerrou(allResult,testList,typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "upward") testCheck.assertLeq("downward", "nearest") testCheck.assertLeq("nearest", "upward") testCheck.assertLeq("downward", "farthest") testCheck.assertLeq("farthest", "upward") for rnd in [ "upward", "prandom_half","sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"] ] + [ x+y for x in ["random", "average"] for y in ["_scomdet"] ]: testCheck.assertLess("downward", rnd) for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom_half","sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"] ]+ [ x+y for x in ["random", "average"] for y in ["_scomdet"] ]: testCheck.assertLess(rnd, "upward") for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq(rnd, "upward") for avg in ["average","average_det","average_comdet", "average_scomdet", "sr_monotonic"]: testCheck.assertAbsLess(avg, "random") testCheck.assertAbsLess(avg, "prandom_half") testCheck.assertAbsLess(avg, "random_det") testCheck.assertAbsLess(avg, "upward") testCheck.assertAbsLess(avg, "downward") testCheck.assertAbsLess(avg, "nearest") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkTestPositive(allResult,testList, typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "downward") testCheck.assertEqual("away_zero", "upward") testCheck.assertLeq("downward", "nearest") testCheck.assertLeq("nearest", "upward") testCheck.assertLeq("downward", "farthest") testCheck.assertLeq("farthest", "upward") for rnd in [ "upward", "prandom_half", "sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet","_scomdet"] ]: testCheck.assertLess("downward", rnd) for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom_half", "sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet","_scomdet"] ]: testCheck.assertLess(rnd, "upward") for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq(rnd,"upward") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkTestNegative(allResult,testList,typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "upward") testCheck.assertEqual("away_zero", "downward") testCheck.assertLeq("downward", "nearest") testCheck.assertLeq("nearest", "upward") testCheck.assertLeq("downward", "farthest") testCheck.assertLeq("farthest", "upward") for rnd in [ "upward", "prandom_half","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet","_scomdet"] ]: testCheck.assertLess("downward", rnd) for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom_half","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet","_scomdet"] ]: testCheck.assertLess(rnd, "upward") for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq(rnd,"upward") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkTestPositiveBetweenTwoValues(allResult,testList, typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "downward") testCheck.assertEqual("away_zero", "upward") testCheck.assertDiff("nearest", "farthest") testCheck.assertLess("downward", "upward") for rnd in [ "prandom_half", "farthest", "nearest","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet", "_scomdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom_half", "farthest", "nearest","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet", "_scomdet"] ]: testCheck.assertLeq(rnd, "upward") for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq(rnd,"upward") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkTestNegativeBetweenTwoValues(allResult,testList, typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm testCheck.assertEqual("toward_zero", "upward") testCheck.assertEqual("away_zero", "downward") testCheck.assertLess("downward", "upward") testCheck.assertDiff("nearest", "farthest") for rnd in [ "prandom_half", "farthest", "nearest","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet", "_scomdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq("downward", rnd) for rnd in [ "prandom_half", "farthest", "nearest","sr_monotonic"] + [ x+y for x in ["random", "average"] for y in ["","_det","_comdet", "_scomdet"] ]: testCheck.assertLeq(rnd, "upward") for rnd in [ "prandom"+y for y in ["","_det","_comdet"] ]: testCheck.assertLeq(rnd,"upward") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkExact(allResult,testList,typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm for rnd in ["downward", "prandom_half", "farthest", "nearest", "toward_zero", "away_zero","sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["","_det","_comdet"] ]+[ x+y for x in ["random", "average"] for y in ["_scomdet"] ]: testCheck.assertEqual(rnd,"upward") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def checkExactDetAndOptimistAverage(allResult,testList,typeTab=["<double>", "<float>"]): ok=0 warn=0 ko=0 for test in testList: for RealType in typeTab: testName=test+RealType testCheck=assertRounding(testName) testCheck.assertNative() testCheck.assertEqual("nearest","ftz") #hypothesis : no denorm for rnd in ["downward","farthest", "nearest", "toward_zero", "away_zero","sr_monotonic"] + [ x+y for x in ["random", "average", "prandom"] for y in ["_det","_comdet"] ]+[ x+y for x in ["random", "average"] for y in ["_scomdet"] ]: testCheck.assertEqual(rnd,"upward") for rnd in ["random", "prandom_half"]: testCheck.assertLess("downward",rnd) testCheck.assertLess("average",rnd) testCheck.assertLess("downward","average") ok+=testCheck.ok ko+=testCheck.ko warn+=testCheck.warn return errorCounter(ok, ko, warn) def assertCmpTest(testName1, rounding1, testName2, rounding2, opposite=False): diff1=getDiff(allResult[("valgrind", rounding1)], testName1) diff2=getDiff(allResult[("valgrind", rounding2)], testName2) if diff1==diff2 and opposite==False: print("OK "+testName1+"("+rounding1+") / " +testName2 +"("+rounding2+")") return True if diff1==-diff2 and opposite: print("OK - "+testName1+"("+rounding1+") / " +testName2 +"("+rounding2+")") return True print("KO %s(%s) / %s(%s) %.17f %.17f"%(testName1,rounding1, testName2,rounding2, diff1,diff2)) return False def checkScomdet(allResult, testPairList, typeTab=["<double>", "<float>"]): ok=0 ko=0 roundingList=["random_scomdet", "average_scomdet", "sr_monotonic"] for (code1,code2, oppositeSign) in testPairList: for RealType in typeTab: testName1=code1+RealType testName2=code2+RealType for rounding in roundingList: if assertCmpTest(testName1, rounding, testName2, rounding, oppositeSign): ok+=1 else: ko+=1 return errorCounter(ok,ko,0) if __name__=='__main__': cmdHandler=cmdPrepare(os.path.join(os.curdir,sys.argv[1])) allResult={} for (env, rounding) in generatePairOfAvailableComputation(): (cout, cerr)=cmdHandler.run(env, rounding) if env=="valgrind": allResult[(env, rounding)]=(cout, verrouCerrFilter(cerr)) else: allResult[(env, rounding)]=(cout, cerr) # printRes(allResult[("fenv" ,"toward_zero")]) # printRes(allResult[("valgrind" ,"toward_zero")]) typeTab=["<double>", "<float>"]#,"<long double>"] eCount=errorCounter() eCount+=checkVerrouInvariant(allResult) eCount+=checkTestPositiveAndOptimistRandomVerrou(allResult, testList=["testInc0d1", "testIncSquare0d1", "testIncDiv10"], typeTab=typeTab) eCount+=checkTestNegativeAndOptimistRandomVerrou(allResult, testList=["testInc0d1m", "testIncSquare0d1m", "testIncDiv10m"], typeTab=typeTab) eCount+=checkTestPositive(allResult, testList=["testInvariantProdDiv"], typeTab=typeTab) eCount+=checkTestNegative(allResult, testList=["testInvariantProdDivm"], typeTab=typeTab) eCount+=checkTestPositiveAndOptimistRandomVerrou(allResult, testList=["testFma"], typeTab=["<double>", "<float>"]) eCount+=checkTestNegativeAndOptimistRandomVerrou(allResult, testList=["testFmam"], typeTab=["<double>", "<float>"]) eCount+=checkExact(allResult, testList=["testMixSseLlo"], typeTab=["<double>", "<float>"]) eCount+=checkExact(allResult, testList=["testCast", "testCastm"], typeTab=["<double>"]) eCount+=checkTestPositiveBetweenTwoValues(allResult, testList=["testCast"], typeTab=["<float>"]) eCount+=checkTestNegativeBetweenTwoValues(allResult, testList=["testCastm"], typeTab=["<float>"]) eCount+=checkExactDetAndOptimistAverage(allResult, testList=["testDiffSqrt"],typeTab=["<double>", "<float>"]) eCount+=checkFloat(allResult, ["testInc0d1", "testIncSquare0d1", "testIncDiv10", "testInc0d1m", "testIncSquare0d1m", "testIncDiv10m", "testFma", "testFmam", "testMixSseLlo"]) eCount+=checkScomdet(allResult,[("testInc0d1","testInc0d1m", True),( "testIncSquare0d1", "testIncSquare0d1m",True),("testIncDiv10", "testIncDiv10m",True),("testFma", "testFmam",True)]) eCount.printSummary() sys.exit(eCount.ko)
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verrou
verrou-master/unitTest/testPlotStat/dot.py
#!/usr/bin/env python3 def computeDot(v1,v2, blockSize): totalSize=len(v1) if totalSize!=len(v2): print("incoherent size") sys.exit(42) if totalSize % blockSize !=0: print("block size should divide total size") sys.exit(42) res=0. for iExtern in range(int(totalSize / blockSize)): resLocal=0. for iIntern in range(blockSize): i=iExtern *blockSize + iIntern resLocal+=v1[i]*v2[i] res+=resLocal return res if __name__=="__main__": v1=[0.1 for i in range(128)] v2=[0.1 for i in range(128)] for b in [1,2,4,8,16,32]: dot1=computeDot(v1,v2, b) dot2=computeDot(v1,v2, b) print("1-dot("+str(b)+") %.17g %.17g"%(dot1, dot1-1.28)) print("2-dot("+str(b)+") %.17g %.17g"%(dot2, dot2-1.28))
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verrou
verrou-master/unitTest/testPlotStat/extract.py
#!/usr/bin/env python3 import sys blockSize=32 for line in open(sys.argv[1]+"/out"): if line.startswith("1-dot("+str(blockSize)+")"): print(line.split()[2]) sys.exit(0) sys.exit(42)
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verrou
verrou-master/unitTest/checkStatRounding/extract.py
#!/usr/bin/python3 import os import sys defaultType="double" defaultAlgo="Seq" def extract(fileName,typeFloat, algo): if not typeFloat in ["double","float"]: print("invalid ALGO_TYPE") sys.exit(42) if not algo in ["Seq","Rec","SeqRatio","RecRatio"]: print("invalid ALGO") sys.exit(42) for line in open(fileName): if line.startswith("<%s>"%(typeFloat)): resLine=line.split("\t")[1:] for algoRes in resLine: algoStr, res= algoRes.split(":") if algoStr=="res"+algo: return res.strip() print("invalid file :", fileName) return None if __name__=="__main__": if "ALGO_TYPE" in os.environ: algo_type=os.environ["ALGO_TYPE"] else: algo_type=defaultType if "ALGO" in os.environ: algo=os.environ["ALGO"] else: algo=defaultAlgo if len(sys.argv)==2: print(extract(sys.argv[1]+"/res.out", algo_type, algo)) else: v1=float(extract(sys.argv[1]+"/res.out", algo_type, algo)) v2=float(extract(sys.argv[2]+"/res.out", algo_type, algo)) if abs(v2 - v1)/abs(v1) < 1e-17: sys.exit(0) else: sys.exit(42)
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verrou
verrou-master/unitTest/ddTest/ddCmpTrue.py
#!/usr/bin/env python3 import sys sys.exit(0)
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verrou
verrou-master/unitTest/ddTest/ddCmp.py
#!/usr/bin/env python3 import sys import ddRun #DDConfig import os import pickle def cmpNorm(ref, toCmp, ddCase): print("norm") if "dd.sym" in ref and "dd.line" not in ref: return ddCase.statusOfSymConfig(open(os.path.join(toCmp,"path_exclude")).readline()) if "dd.line" in ref: return ddCase.statusOfSourceConfig(open(os.path.join(toCmp,"path_source")).readline()) if __name__=="__main__": if sys.argv[1]== sys.argv[2]: sys.exit(0) else: ddCase=ddRun.ddConfig() ref=sys.argv[1] ddCase.unpickle(os.path.join(ref,"dd.pickle")) toCmp=sys.argv[2] sys.exit(cmpNorm(ref, toCmp, ddCase))
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verrou
verrou-master/unitTest/ddTest/ddCmpFalse.py
#!/usr/bin/env python3 import sys sys.exit(1)
48
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verrou
verrou-master/unitTest/ddTest/ddRun.py
#!/usr/bin/env python3 import sys import os import pickle import random proba=1. try: proba = float(os.environ["DD_TEST_PROBA"]) except: pass def simulateRandom(fail): if fail!=0: if( random.random()<proba): return fail return 0 class ddConfig: def __init__(self,listOf1Failure=[], listOf2Failures=[]): self.nbSym=len(listOf1Failure) self.listOf1Failure=listOf1Failure self.listOf2Failures=listOf2Failures self.check2Failure() def check2Failure(self): for x in self.listOf2Failures: ((sym0,sym1), fail, tab)=x if sym0>= self.nbSym or sym1 >= self.nbSym: print("failure") sys.exit() #todo check tab # for (s1, l1, s2, l2) in tab: def pickle(self, fileName): """To serialize the ddConfig object in the file fileName""" fileHandler= open(fileName, "wb") pickle.dump(self.listOf1Failure,fileHandler) pickle.dump(self.listOf2Failures,fileHandler) def unpickle(self, fileName): """To deserialize the ddConfig object from the file fileName""" fileHandler=open(fileName, "rb") self.listOf1Failure=pickle.load(fileHandler) self.listOf2Failures=pickle.load(fileHandler) self.nbSym=len(self.listOf1Failure) def listOfIntSym(self): """Return the int list of symbol""" return range(self.nbSym) def listOfTxtSym(self): """Return a fake list of symbol""" return [("sym-"+str(i), "fake.so") for i in self.listOfIntSym()] def getExcludeIntSymFromExclusionFile(self, excludeFile): """ Return the Int Symbol list excluded with excludeFile """ if excludeFile==None: return [] return [int((line.split()[0]).replace("sym-", "")) for line in ((open(excludeFile.strip(), "r")).readlines()) ] def getIncludeIntSymFromExclusionFile(self,excludeFile): """ Return the Int Symbol list included defined through the excludeFile""" return [i for i in self.listOfIntSym() if i not in self.getExcludeIntSymFromExclusionFile(excludeFile)] def listOfTxtLine(self, excludeFile): """Generate a fake list of line : it takes into account the excludeFile""" listOfSymIncluded=self.getIncludeIntSymFromExclusionFile(excludeFile) res=[] for (symFailureIndex, failure, listOfLine) in self.listOf1Failure: if symFailureIndex in listOfSymIncluded: for (lineIndex, failureLine) in listOfLine: res+=[("sym"+str(symFailureIndex)+".c", lineIndex, "sym-"+str(symFailureIndex))] print("print listOfLine", res) return res def getIncludedLines(self, sourceFile): includedLines=[line.split() for line in (open(sourceFile.strip(), "r")).readlines()] return includedLines def statusOfSymConfig(self, config): """Return the status of the config""" print(config) listOfConfigSym=self.getExcludeIntSymFromExclusionFile(config) #test single sym for sym in self.listOfIntSym(): if sym not in listOfConfigSym and self.listOf1Failure[sym][1]!=0: res=simulateRandom(1) if res==1: return 1 #test couple sym for ((sym1,sym2), failure, tab) in self.listOf2Failures: if failure==0: continue if not sym1 in listOfConfigSym and not sym2 in listOfConfigSym: res=simulateRandom(1) if res==1: return 1 return 0 def statusOfSourceConfig(self, configLine): print("configLine:", configLine) listOfSym=[] configLineLines=self.getIncludedLines(configLine) print("configLineLines:", configLineLines) for sym in range(self.nbSym): if sym not in listOfSym and self.listOf1Failure[sym][1]!=0: print("sym:", sym) print("listofLineFailure :", self.listOf1Failure[sym][2]) selectedConfigLines=[int(line[1]) for line in configLineLines if line[2]=="sym-"+str(sym) ] print("selectedConfigLines:", selectedConfigLines) for (lineFailure, failure) in self.listOf1Failure[sym][2]: if lineFailure in selectedConfigLines and failure : print("line return : ", lineFailure) return 1 #test couple sym for ((sym1,sym2), failure, tab) in self.listOf2Failures: print ("sym1 sym2 tab", sym1, sym2, tab) if failure==0: continue if not sym1 in listOfSym and not sym2 in listOfSym: selectedConfigLines1=[int(line[1]) for line in configLineLines if line[2]=="sym-"+str(sym1) ] selectedConfigLines2=[int(line[1]) for line in configLineLines if line[2]=="sym-"+str(sym2) ] print("selectedConfigLines1:", selectedConfigLines1) print("selectedConfigLines2:", selectedConfigLines2) for (s1, l1, s2,l2) in tab: if s1==sym1 and s2==sym2: if l1 in selectedConfigLines1 and l2 in selectedConfigLines2: return 1 return 0 def checkRddminSymResult(self,loadRes): fullList=[int(line.split()[0].replace("sym-","")) for line in loadRes["full"]] fullList.sort() if fullList != [x for x in range(self.nbSym)]: print("invalid full perturbation number") print("fullList", fullList) print("fullList expected", [x for x in range(self.nbSym)]) return False if len(loadRes["noperturbation"])!=0: print("invalid no empty noperturbation") return False ddminList=[ [int(line.split()[0].replace("sym-","")) for line in ddmin ] for ddmin in loadRes["ddmin"]] ddminList1=[x[0] for x in ddminList if len(x)==1] ddminList1.sort() ddminList2=[[min(x), max(x)] for x in ddminList if len(x)==2] ddminList2.sort() ddminListRes=[x for x in ddminList if not len(x) in [1,2]] if len(ddminListRes)!=0: print("unexpected ddmin size") print("ddminListRes" , ddminListRes) return False ddminList1Expected=[sym for sym in range(self.nbSym) if self.listOf1Failure[sym][1]!=0] ddminList1Expected.sort() if ddminList1 != ddminList1Expected: print("unexpected ddmin of size 1") print("ddminList1Expected", ddminList1Expected) print("ddminList1", ddminList1) return False ddminList2Expected=[[tup[0][0], tup[0][1]]for tup in self.listOf2Failures if tup[1]!=0] ddmin2error=False for x in ddminList2Expected: if not x in ddminList2: ddmin2error=True for x in ddminList2: if not x in ddminList2Expected: ddmin2error=True if ddmin2error: print("unexpected ddminList2") print("ddminList2Expected", ddminList2Expected) print("ddminList2",ddminList2) return False rddmincmpExpected=[x for x in range(self.nbSym) if not x in ddminList1Expected and not x in [t[0] for t in ddminList2Expected] and not x in [t[1] for t in ddminList2Expected]] rddmincmp=[int(line.split()[0].replace("sym-","")) for line in loadRes["rddmincmp"]] rddmincmp.sort() if rddmincmp != rddmincmpExpected: print("unexpected rddmincmp") print("rddmincmpExpected", rddmincmpExpected) print("rddmincmp", rddmincmp) return False return True def checkRddminLineResult(self,loadRes): #check fulllist fullList=[(int(line.split("\t")[2].replace("sym-","")), int(line.split("\t")[1])) for line in loadRes["full"]] fullList.sort() fullListExpected=[(symFailureIndex, line[0]) for (symFailureIndex, failure, listOfLine) in self.listOf1Failure for line in listOfLine] fullListExpected.sort() if fullListExpected!= fullList: print("invalid full perturbation number") print("fullList", fullList) print("fullList expected", fullListExpected) return False #check empty list if len(loadRes["noperturbation"])!=0: print("invalid no empty noperturbation") return False #extract result form loadRes ddminList=[ [(int(line.split("\t")[2].replace("sym-","")), int(line.split("\t")[1])) for line in ddmin] for ddmin in loadRes["ddmin"]] ddminList1=[x[0] for x in ddminList if len(x)==1] ddminList1.sort() ddminList2=[x for x in ddminList if len(x)==2] ddminList2.sort() ddminListRes=[x for x in ddminList if not len(x) in [1,2]] #check there are only result with length 1 or 2 if len(ddminListRes)!=0: print("unexpected ddmin size") print("ddminListRes" , ddminListRes) return False #check ddmin with length 1 ddminList1Expected=[(sym, lineTuple[0]) for sym in range(self.nbSym) if self.listOf1Failure[sym][1]!=0 for lineTuple in self.listOf1Failure[sym][2] if lineTuple[1]!=0] ddminList1Expected.sort() if ddminList1 != ddminList1Expected: print("unexpected ddmin of size 1") print("ddminList1Expected", ddminList1Expected) print("ddminList1", ddminList1) return False #check ddmin with length 2 ddminList2ExpectedSym=[[tup[0][0], tup[0][1]]for tup in self.listOf2Failures if tup[1]!=0] ddminList2Sym=set([(x[0][0],x[1][0]) for x in ddminList2 ]) for (x,y) in ddminList2Sym: if not [min(x,y), max(x,y)] in ddminList2ExpectedSym: print("to much ddmin2 found") return False for ddmin2ExpectedSym in ddminList2ExpectedSym: line0=[[y[1] for y in x[2]] for x in self.listOf2Failures if x[1]!=0 and x[0]==(min(ddmin2ExpectedSym), max(ddmin2ExpectedSym)) ][0] line1=[[y[3] for y in x[2]] for x in self.listOf2Failures if x[1]!=0 and x[0]==(min(ddmin2ExpectedSym), max(ddmin2ExpectedSym)) ][0] line0=list(set(line0)) line1=list(set(line1)) lineTupleRes=[(ddmin[0][1], ddmin[1][1]) for ddmin in ddminList2 if ddmin[0][0]==min(ddmin2ExpectedSym) and ddmin[1][0]==max(ddmin2ExpectedSym)] errorLine=False if len(lineTupleRes) != min( len(line0),len(line1)) : errorLine=True line0Res=[line[0] for line in lineTupleRes] line1Res=[line[1] for line in lineTupleRes] for i in line0Res: if not i in line0: errorLine=True for i in line1Res: if not i in line1: errorLine=True if errorLine: print("ddmin2 Error for ", ddmin2ExpectedSym) print("lineTupleRes" , lineTupleRes) print("line0, line1", line0, line1) return False #check rddmincmp rddmincmpExpected=[x for x in fullListExpected if not x in ddminList1Expected and not x in sum(ddminList2,[])] rddmincmp=[(int(line.split("\t")[2].replace("sym-","")), int(line.split("\t")[1])) for line in loadRes["rddmincmp"]] rddmincmp.sort() if rddmincmp != rddmincmpExpected: print("unexpected rddmincmp") print("rddmincmpExpected", rddmincmpExpected) print("rddmincmp", rddmincmp) return False return True def generateFakeExclusion(ddCase): genExcludeFile=os.environ["VERROU_GEN_EXCLUDE"] genExcludeFile=genExcludeFile.replace("%p", "4242") f=open(genExcludeFile, "w") dataToWrite=ddCase.listOfTxtSym() import random random.shuffle(dataToWrite) for (sym, name,) in dataToWrite: f.write(sym +"\t" + name+"\n") f.close() def generateFakeSource(ddCase): genSourceFile=os.environ["VERROU_GEN_SOURCE"] genSourceFile=genSourceFile.replace("%p", "4242") excludeFile=None try: excludeFile= os.environ["VERROU_EXCLUDE"] except: excludeFile=None print('excludeFile:',excludeFile) f=open(genSourceFile, "w") for (source, line, symName) in ddCase.listOfTxtLine(excludeFile): f.write(source +"\t" + str(line)+"\t"+symName+"\n") f.close() def runRef(dir_path, ddCase): print("ref") if "dd.sym" in dir_path and not "dd.line" in dir_path: generateFakeExclusion(ddCase) ddCase.pickle(os.path.join(dir_path,"dd.pickle")) return 0 if "dd.line" in dir_path: generateFakeSource(ddCase) ddCase.pickle(os.path.join(dir_path,"dd.pickle")) return 0 def runNorm(dir_path, ddCase): print("norm") if "dd.sym" in dir_path and not "dd.line" in dir_path: f=open(os.path.join(dir_path , "path_exclude"), "w") f.write(os.environ["VERROU_EXCLUDE"]+"\n") f.close() return 0 if "dd.line" in dir_path: f=open(os.path.join(dir_path,"path_source"), "w") f.write(os.environ["VERROU_SOURCE"]+"\n") f.close() if __name__=="__main__": ddCase=ddConfig([(sym, max(0, sym-16), [(line, max(0, line-8)) for line in range(11) ] ) for sym in range(20)], [((0,1), 1, [(0,line, 1,max(0,line-1)) for line in range(4)]) ] ) # ddCase=ddConfig([(0, 0, []), # (1, 1, [(0, 0),(1,1)] )]) if "ref" in sys.argv[1]: sys.exit(runRef(sys.argv[1], ddCase)) else: sys.exit(runNorm(sys.argv[1], ddCase))
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verrou
verrou-master/unitTest/ddTest/ddCheck.py
#!/usr/bin/env python3 import sys import ddRun import os import pickle def loadResult(rep): if "dd.line" in rep: pref="dd.line" if "dd.sym" in rep: pref="dd.sym" listOfrddim=[[line.strip() for line in open(os.path.join(rep,x,pref+".include")).readlines()] for x in os.listdir(rep) if x.startswith("ddmin")] full=[line.strip() for line in open(os.path.join(rep,"FullPerturbation" ,pref+".include")).readlines()] rddmincmp=[line.strip() for line in open(os.path.join(rep,"rddmin-cmp" ,pref+".include")).readlines()] noPerturb=[line.strip() for line in open(os.path.join(rep,"NoPerturbation" ,pref+".include")).readlines()] return {"ddmin": listOfrddim, "full": full, "rddmincmp": rddmincmp, "noperturbation": noPerturb} if __name__=="__main__": resRep=sys.argv[1] resOut=sys.argv[2] ddCase=ddRun.ddConfig() ref=os.path.join(resRep,"ref") ddCase.unpickle(os.path.join(ref,"dd.pickle")) loadedRes=loadResult(resRep) res=False if "dd.sym" in resRep: res=ddCase.checkRddminSymResult(loadedRes) if "dd.line" in resRep: res=ddCase.checkRddminLineResult(loadedRes) if res: print("valid rddmin result") else: print("invalid rddmin result") sys.exit(42)
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tet-vs-hex
tet-vs-hex-master/bending/run_forces.py
import os import json import glob import subprocess import tempfile import numpy as np if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") # out_folder = "results" # folder_path = "meshes" # j_file = "bar.json" out_folder = "ar_res" folder_path = "ar" j_file = "ar.json" discr_orders = [1, 2] fs = -np.arange(0.1, 2.1, 0.1) exts = [".mesh", ".HYBRID"] nodes = {"P1": 3962, "P2": 13688, "Q1": 6077, "Q2": 43097} current_folder = cwd = os.getcwd() with open(j_file, 'r') as f: json_data = json.load(f) for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*" + ext)): print(mesh) basename = os.path.splitext(os.path.basename(mesh))[0] bc = os.path.join(current_folder, folder_path, basename + ".txt") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh key = "Q" if "HYBRID" in ext else "P" for discr_order in discr_orders: node_id = nodes[key + str(discr_order)] if "rail" in basename: json_data["export"]["sol_at_node"] = node_id else: json_data["export"]["sol_at_node"] = -1 for f in fs: json_data["discr_order"] = discr_order if "nice" in basename: f = -f json_data["problem_params"]["neumann_boundary"][0]["value"][1] = f json_data["output"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + "_f" + str(abs(f)) + ".json") # json_data["output"] = os.path.join(current_folder, out_folder, "out_" + basename + "_k" + str(discr_order) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/bending/run_times.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") # out_folder = "times" # folder_path = "meshes" # j_file = "bar.json" out_folder = "ar_times" folder_path = "ar" j_file = "ar.json" discr_orders = [1, 2] force = -1 exts = ["mesh", "HYBRID"] n_runs = 10 current_folder = cwd = os.getcwd() with open(j_file, 'r') as f: json_data = json.load(f) json_data["problem_params"]["neumann_boundary"][0]["value"][1] = force for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*." + ext)): basename = os.path.splitext(os.path.basename(mesh))[0] f = force if "nice" in basename and "_h" not in basename: f = -f json_data["problem_params"]["neumann_boundary"][0]["value"][1] = f # bc = os.path.join(current_folder, folder_path, basename + ".txt") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh # json_data["bc_tag"] = bc for discr_order in discr_orders: json_data["discr_order"] = discr_order for i in range(0, n_runs): json_data["output"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + "_r" + str(i + 1) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/bending/plot_forces.py
import os import glob import numpy as np import json import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10} def plot(f, k, slope, name): if len(f) <= 0 or len(k) <= 0: return [] x, y = zip(*sorted(zip(f, k))[:]) y = np.absolute(y - np.asarray(x)*slope) w = np.polyfit(x[:], y[:], 1) trace = go.Scatter( x=x, y=y, mode='lines+markers', name="{} {:.2e}".format(name, w[0]), line=dict(color=(colors[name])), marker=dict(symbol=marker_shapes[name], size=marker_sizes[name]) ) return [trace] def plot_exact(f, kk): mmin = np.amin(f) mmax = np.amax(f) x = [mmin, mmax] y = [mmin * kk, mmax * kk] trace = go.Scatter( x=x, y=y, mode='lines', showlegend=False, line=dict(color='rgb(178, 190, 195)', dash='dash') ) return [trace] def load(mesh_name): k1 = [] f1 = [] k2 = [] f2 = [] for json_file in glob.glob(os.path.join(out_folder, mesh_name + "_k*.json")): with open(json_file, 'r') as f: json_data = json.load(f) k = json_data["discr_order"] if "rail" in mesh_name: disp = json_data["sol_at_node"][1] else: disp = json_data["sol_min"][1] f = abs(json_data["args"]["problem_params"]["neumann_boundary"][0]["value"][1]) if k == 1: k1.append(disp) f1.append(f) else: k2.append(disp) f2.append(f) return f1, k1, f2, k2 if __name__ == '__main__': # out_folder = "results" output = None out_folder = "ar_res" # output = "plot20_nice" # tri_name = "square_beam" # hex_name = "square_beam_h" # kk = -0.09694505138106606 / 2 # tri_name = "square_beam05" # hex_name = "square_beam_h05" kk = -2.345675457072445 / 2 # tri_name = "square_beam10" # hex_name = "square_beam_h10" # kk = -9.35041275633748 / 2 # tri_name = "square_beam20" # hex_name = "square_beam_h20" # kk = -37.36296341373767 / 2 tri_name = "square_beam20_nice" hex_name = "square_beam_h20" kk = -37.36296341373767 / 2 # tri_name = "circle_beam" # hex_name = "circle_beam_h" # kk = -0.130740975373922 / 2 # tri_name = "rail" # hex_name = "rail_h" # kk = -0.14057837735277648/2 tf1, tk1, tf2, tk2 = load(tri_name) hf1, hk1, hf2, hk2 = load(hex_name) layout = go.Layout( legend=dict(x=0.01, y=0.81), xaxis=dict( title="Force", exponentformat='power', showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, nticks=5, tickfont=dict( size=16 ) ), yaxis=dict( title="Error", # tickformat='.1e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, tickfont=dict( size=16 ), autorange=True ), font=dict( size=24 ), hovermode='closest' ) data = [] data.extend(plot(hf1, hk1, kk, "Q1")) data.extend(plot(hf2, hk2, kk, "Q2")) data.extend(plot(tf1, tk1, kk, "P1")) data.extend(plot(tf2, tk2, kk, "P2")) # data.extend(plot_exact(tf1, kk)) fig = go.Figure(data=data, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/bending/print_times.py
import os import json import glob import numpy as np def get_data(p, q): p1 = p[0] p2 = p[1] q1 = q[0] q2 = q[1] p1 = np.mean(p1) p2 = np.mean(p2) q1 = np.mean(q1) q2 = np.mean(q2) return p1, p2, q1, q2 def print_line(title, tb, ta, ts, t, e): string = "{}&\t{:.2e}&\t{:.2e}&\t{:.2e}&\t{:.2e}&\t{:.2e}\\\\".format(title, tb, ta, ts, t, e) string = string.replace("e-0", "e-") string = string.replace("e+0", "e") string = string.replace("e0", "") print(string) if __name__ == '__main__': # path = "times" # prefixes = ["square_beam", "square_beam_h", "circle_beam", "circle_beam_h", "rail", "rail_h"] path = "ar_times" prefixes = [ "square_beam05", "square_beam_h05", "square_beam10", "square_beam_h10", "square_beam20", "square_beam_h20", "square_beam20_split", "square_beam_h20", "square_beam20_nice", "square_beam_h20_nice", "square_beam20_split8", "square_beam_h20_nice"] exacts = { "square_beam": -0.09694505138106606 / 2, "square_beam05": -2.345675457072445 / 2, "square_beam10": -9.35041275633748 / 2, "square_beam20": -37.36296341373767 / 2, "circle_beam": -0.130740975373922 / 2, "rail": -0.14057837735277648 / 2 } discrs = [1, 2] basis = {} assembly = {} solve = {} total = {} errors = {} for prefix in prefixes: basis[prefix] = [] assembly[prefix] = [] solve[prefix] = [] total[prefix] = [] errors[prefix] = [] for prefix in prefixes: for discr in discrs: bb = [] aa = [] ss = [] tt = [] ee = [] for data in glob.glob(os.path.join(path, prefix + "_k" + str(discr) + "*.json")): with open(data, 'r') as f: json_data = json.load(f) if "rail" in prefix: disp = json_data["sol_at_node"][1] else: disp = json_data["sol_min"][1] exact = exacts[ prefix.replace("_h", ""). replace("_nice", ""). replace("_split8", ""). replace("_split16", ""). replace("_split30", ""). replace("_split", "")] bb.append(json_data["time_building_basis"]) aa.append(json_data["time_assembling_stiffness_mat"]) ss.append(json_data["time_solving"]) tt.append(json_data["time_building_basis"]+json_data["time_assembling_stiffness_mat"]+json_data["time_solving"]) ee.append(abs(exact-disp)) basis[prefix].append(bb) assembly[prefix].append(aa) solve[prefix].append(ss) total[prefix].append(tt) errors[prefix].append(ee) for i in range(0, len(prefixes), 2): pp = prefixes[i] qq = prefixes[i+1] print("\n\n" + pp + " " + qq + "\n") print("&$t_b$&\t$t_a$&\t$t_s$&\t$t$&\t$e_f$\\\\") print("\\hline") [p1b, p2b, q1b, q2b] = get_data(basis[pp], basis[qq]) [p1a, p2a, q1a, q2a] = get_data(assembly[pp], assembly[qq]) [p1s, p2s, q1s, q2s] = get_data(solve[pp], solve[qq]) [p1t, p2t, q1t, q2t] = get_data(total[pp], total[qq]) [p1e, p2e, q1e, q2e] = get_data(errors[pp], errors[qq]) print_line("$P_1$", p1b, p1a, p1s, p1t, p1e) print_line("$P_2$", p2b, p2a, p2s, p2t, p2e) print_line("$Q_1$", q1b, q1a, q1s, q1t, q1e) print_line("$Q_2$", q2b, q2a, q2s, q2t, q2e)
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tet-vs-hex
tet-vs-hex-master/bending/mesh.py
import numpy as np import igl import meshplot as mp import wildmeshing as wm mp.offline() v=np.array([ [-10., -0.5, -50], [-10., 0.5, -50], [10., 0.5, -50], [10., -0.5, -50], # [-10., -0.5, 50], [-10., 0.5, 50], [10., 0.5, 50], [10., -0.5, 50] ]) f = np.array([ [0, 1, 2], [2, 3, 0], [4, 6, 5], [6, 4, 7], [2, 6, 7], [3, 2, 7], [1, 5, 6], [1, 6, 2], [1, 4, 5], [4, 1, 0], [0, 7, 4], [7, 0, 3] ]) # igl.write_triangle_mesh("bbb.obj", v, f) # p = mp.plot(v, f, shading={"wireframe": True, "point_size": 5}, return_plot=True, filename="plot.html") # wm.tetrahedralize("bbb.obj", "test.mesh", edge_length_r=0.0263) n_v = -1 index = -1 with open("test.mesh", "r") as in_file: with open("test_snap.mesh", "w") as out_file: for line in in_file: if n_v == -2: n_v = int(line) print(n_v) if "Vertices" in line: n_v = -2 if index < n_v and index >= 0: nbrs = line.split(' ') assert(len(nbrs) == 4) x = float(nbrs[0]) y = float(nbrs[1]) z = float(nbrs[2]) if abs(x-10) < 1e-1: x = 10 if abs(x+10) < 1e-1: x = -10 if abs(y-0.5) < 1e-1: y = 0.5 if abs(y+0.5) < 1e-1: y = -0.5 if abs(z-50) < 1e-1: z = 50 if abs(z+50) < 1e-1: z = -50 line = "{} {} {} {}".format(x, y, z, nbrs[3]) out_file.write(line) if n_v > 0: index += 1
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tet-vs-hex
tet-vs-hex-master/plate_hole/paraview.py
import re from paraview.simple import * group0 = GroupDatasets() group0.Input.Clear() group1 = GroupDatasets() group1.Input.Clear() group2 = GroupDatasets() group2.Input.Clear() group3 = GroupDatasets() group3.Input.Clear() sources = [] ii = 0 for k in GetSources(): s = GetSources()[k] if s == group0 or s == group1 or s == group2 or s == group3: continue sources.append(s) for s in sources: name = s.FileName[0] print(name) current_group = None if "_0_" in name: current_group = group0 print("group " + str(0)) elif "_1_" in name: current_group = group1 print("group " + str(1)) elif "_2_" in name: current_group = group2 print("group " + str(2)) elif "_3_" in name: current_group = group3 print("group " + str(3)) Hide(s) if re.search('hole_q_\\d_k2', name): calc = Calculator(s) calc.Function='jHat*0' warped = WarpByVector(calc) current_group.Input.append(warped) elif re.search('hole_q_\\d_k1', name): calc = Calculator(s) calc.Function='-iHat*5' warped = WarpByVector(calc) r = Reflect(warped) r.CopyInput = False current_group.Input.append(r) elif re.search('hole_\\d_k2', name): calc = Calculator(s) calc.Function='jHat*5' warped = WarpByVector(calc) r = Reflect(warped) r.CopyInput = False r.Plane = 'Y Max' current_group.Input.append(r) elif re.search('hole_\\d_k1', name): calc = Calculator(s) calc.Function='-iHat*5 + jHat*5' warped = WarpByVector(calc) r = Reflect(warped) r.CopyInput = False r.Plane = 'Y Max' r1 = Reflect(r) r1.CopyInput = False current_group.Input.append(r1) calc = None warped = None r = None r1 = None s = None
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tet-vs-hex
tet-vs-hex-master/plate_hole/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") # out_folder = "results" out_folder = "results_inc" folder_path = "meshes" current_folder = cwd = os.getcwd() discr_orders = [1, 2] with open("plane_hole.json", 'r') as f: json_data = json.load(f) for mesh in glob.glob(os.path.join(folder_path, "*.obj")): basename = os.path.splitext(os.path.basename(mesh))[0] mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh for discr_order in discr_orders: json_data["discr_order"] = discr_order json_data["output"] = os.path.join(current_folder, out_folder, "out_" + basename + "_k" + str(discr_order) + ".json") json_data["export"]["vis_mesh"] = os.path.join(current_folder, out_folder, "sol_" + basename + "_k" + str(discr_order) + ".vtu") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/incompressible/paraview.py
from paraview.simple import * import os sources = [] for k in GetSources(): s = GetSources()[k] sources.append(s) warpeds = [] names = [] for s in sources: name = s.FileName[0] name = os.path.splitext(os.path.basename(name))[0] print(name) warped = WarpByVector(Input=s) warped.Vectors = ['POINTS', 'solution'] Hide(s) warpedDisplay = Show(warped) ColorBy(warpedDisplay, ('POINTS', 'solution', 'Magnitude')) warpeds.append(warped) names.append(name) HideAll() RenderAllViews() renderView = GetActiveViewOrCreate('RenderView') renderView.InteractionMode = '2D' renderView.CameraPosition = [0.4999999925494194, 0.5000000074505806, 3.0191335456195794] renderView.CameraFocalPoint = [0.4999999925494194, 0.5000000074505806, 0.0] renderView.CameraParallelScale = 0.9455052061902393 for i in range(len(warpeds)): w = warpeds[i] n = names[i] Show(w) solutionLUT = GetColorTransferFunction('solution') solutionLUT.ApplyPreset('Rainbow Uniform', True) solutionLUT.NumberOfTableValues = 12 solutionLUT.RescaleTransferFunction(0.0, 0.3) # solutionLUTColorBar.Enabled = True # solutionLUTColorBar = GetScalarBar(solutionLUT, renderView) RenderAllViews() SaveScreenshot('./images/' + n + '.png', renderView, ImageResolution=[2*2204, 2*960]) Hide(w)
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tet-vs-hex
tet-vs-hex-master/incompressible/print_times.py
import os import json import glob import numpy as np def get_data(p, q): p1 = p[0] p2 = p[1] q1 = q[0] q2 = q[1] p1 = np.mean(p1) p2 = np.mean(p2) q1 = np.mean(q1) q2 = np.mean(q2) return p1, p2, q1, q2 def print_line(title, tb, ta, ts, t): string = "{}&\t{:.2e}&\t{:.2e}&\t{:.2e}&\t{:.2e}\\\\".format(title, tb, ta, ts, t) string = string.replace("e-0", "e-") string = string.replace("e+0", "e") string = string.replace("e0", "") print(string) if __name__ == '__main__': path = "out" prefixes = ["P1", "P2", "PM", "Q1", "Q2", "QM"] basis = {} assembly = {} solve = {} total = {} for prefix in prefixes: basis[prefix] = [] assembly[prefix] = [] solve[prefix] = [] total[prefix] = [] for prefix in prefixes: total_time = 0 count = 0 for data in glob.glob(os.path.join(path, prefix + "*.json")): with open(data, 'r') as f: json_data = json.load(f) time = json_data["time_building_basis"] + json_data["time_assembling_stiffness_mat"] + json_data["time_solving"] total_time += time count += 1 print(prefix) print(round(total_time / count*100)/100)
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tet-vs-hex
tet-vs-hex-master/incompressible/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") vtu_folder = "vtu" json_folder = "out" discr_orders = [1, 2] exts = ["obj"] folder_path = "meshes" current_folder = cwd = os.getcwd() E = 0.1 nus = [0.9, 0.99, 0.999, 0.9999] with open("run.json", 'r') as f: json_data = json.load(f) for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*." + ext)): basename = os.path.splitext(os.path.basename(mesh))[0] title = "P" if basename.find("quad") == -1 else "Q" json_data["n_refs"] = 0 if basename.find("quad") == -1 else 6 # print(json_data["n_refs"]) mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh for nu in nus: json_data["params"]["E"] = E json_data["params"]["nu"] = nu json_data["tensor_formulation"] = "LinearElasticity" for discr_order in discr_orders: json_data["discr_order"] = discr_order json_data["output"] = os.path.join(current_folder, json_folder, title + str(discr_order) + "_nu" + str(nu) + ".json") json_data["export"]["vis_mesh"] = os.path.join(current_folder, vtu_folder, title + str(discr_order) + "_nu" + str(nu) + ".vtu") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd', '--log_level', '1'] subprocess.run(args) json_data["tensor_formulation"] = "IncompressibleLinearElasticity" json_data["discr_order"] = 2 json_data["output"] = os.path.join(current_folder, json_folder, title + "M_nu" + str(nu) + ".json") json_data["export"]["vis_mesh"] = os.path.join(current_folder, vtu_folder, title + "M_nu" + str(nu) + ".vtu") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd', '--log_level', '1'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/twisted_bar/paraview.py
from paraview.simple import * colors = {'P1': [9, 132, 227], 'P2': [108, 92, 231], 'Q1': [225, 112, 85], 'Q2': [214, 48, 49]} centre = 9.5 ii = 0 sources = [] for k in GetSources(): s = GetSources()[k] sources.append(s) layout = GetLayout() layout.SplitHorizontal(0, 0.5) SetActiveView(None) lineChartView = CreateView('XYChartView') layout.AssignView(2, lineChartView) SetActiveView(lineChartView) for source in sources: s = None filename = source.FileName[0] title = filename[-6:-4].title() hexes = filename.find('_h') > 0 if hexes: title = "Q" + title[-1] else: title = "P" + title[-1] # if hexes: # calc = Calculator(source) # calc.CoordinateResults = True # calc.Function = 'coordsX*iHat+coordsY*jHat+(coordsZ-50)*kHat' # calc.ResultArrayName='disp_' + title # s = calc # else: # s = source s = source calc = Calculator(s) calc.Function='atan(solution_X/solution_Y)' calc.ResultArrayName='angle_' + title # calc_res = Show(calc) line = PlotOverLine(calc) line.Source.Point1=[centre, centre, -50] line.Source.Point2=[centre, centre, 50] line_res = Show(line) line_res.SeriesVisibility = ['angle_' + title] line_res.SeriesLabel[1] = title + ' ' + str(centre) line_res.SeriesColor[1] = str(colors[title][0]/255.) line_res.SeriesColor[2] = str(colors[title][1]/255.) line_res.SeriesColor[3] = str(colors[title][2]/255.) SaveData('./data/' + title + '.csv', proxy=line, Precision=30)
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tet-vs-hex-master/twisted_bar/plot.py
import numpy as np import math import pandas as pd import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)', 'Spline': 'rgb(45, 52, 54)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10} def plot(data, name): if data.empty: return [] x = data["arc_length"].values px = data["solution:0"].values py = data["solution:1"].values y = -np.arctan2(py, px) / math.pi * 180 y -= 45. # y[0] += 45 y = np.abs(y - x/100*90) x, y = zip(*sorted(zip(x, y))[20:]) trace = go.Scatter( x=x, y=y, mode='lines', name=name, line=dict(color=(colors[name])), # marker=dict(symbol=marker_shapes[name], size=marker_sizes[name]) ) return [trace] def plot_exact(): m = -0.015677840125715936 b = -0.788410994193744 mmin = 0 mmax = 100 x = [mmin, mmax] y = [b + mmin * m, b+ mmax * m] trace = go.Scatter( x=x, y=y, mode='lines', showlegend=False, line=dict(color='rgb(178, 190, 195)', dash='dash') ) return [trace] if __name__ == '__main__': out_folder = "data" output = "plot_fine" p1 = pd.read_csv(out_folder + "/P1.csv") p2 = pd.read_csv(out_folder + "/P2.csv") q1 = pd.read_csv(out_folder + "/Q1.csv") q2 = pd.read_csv(out_folder + "/Q2.csv") layout = go.Layout( legend=dict(x=0.9, y=0.9), xaxis=dict( title="z", exponentformat='power', showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, # type='log', nticks=5, tickfont=dict( size=16 ), # autorange='reversed' ), yaxis=dict( title="Angle deviation from linear in degrees", # tickformat='.1e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, # type='log', tickfont=dict( size=16 ), range=[0, 3], ), font=dict( size=24 ), hovermode='closest' ) data = [] data.extend(plot(p1, "P1")) data.extend(plot(p2, "P2")) data.extend(plot(q1, "Q1")) data.extend(plot(q2, "Q2")) # data.extend(plot(hs, ratio, "Spline")) fig = go.Figure(data=data, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/twisted_bar/save_screen.py
from paraview.simple import * import os sources = [] for k in GetSources(): s = GetSources()[k] sources.append(s) warpeds = [] names = [] for source in sources: name = source.FileName[0] name = os.path.splitext(os.path.basename(name))[0] print(name) hexes = name.find('_h') > 0 if hexes: calc = Calculator(source) calc.CoordinateResults = True calc.Function = 'coordsX*iHat+coordsY*jHat+(coordsZ-50)*kHat' calc.ResultArrayName='disp_' + name s = calc else: s = source warped = WarpByVector(Input=s) warped.Vectors = ['POINTS', 'solution'] Hide(s) warpedDisplay = Show(warped) ColorBy(warpedDisplay, ('POINTS', 'solution', 'Magnitude')) warpeds.append(warped) names.append(name) HideAll() RenderAllViews() renderView = GetActiveViewOrCreate('RenderView') renderView.OrientationAxesVisibility = 0 renderView.CameraPosition = [-0.0009298324584960938, -207.86145358251065, 0.0] renderView.CameraFocalPoint = [-0.0009298324584960938, 0.00030040740966796875, 0.0] renderView.CameraViewUp = [0.0, 0.0, 1.0] renderView.CameraParallelScale = 53.79858068100626 for i in range(len(warpeds)): w = warpeds[i] n = names[i] Show(w) solutionLUT = GetColorTransferFunction('solution') solutionLUT.ApplyPreset('Rainbow Uniform', True) solutionLUT.NumberOfTableValues = 12 solutionLUT.RescaleTransferFunction(0.0, 30) # solutionLUTColorBar.Enabled = True # solutionLUTColorBar = GetScalarBar(solutionLUT, renderView) RenderAllViews() SaveScreenshot('./images/' + n + '.png', renderView, ImageResolution=[2*2204, 2*960]) Hide(w)
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tet-vs-hex
tet-vs-hex-master/orthotropic/run_forces.py
import os import json import glob import subprocess import tempfile import numpy as np if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") out_folder = "results" folder_path = "meshes" j_file = "ortho.json" discr_orders = [1, 2] fs = -np.arange(0.000001, 0.000021, 0.000001) exts = [".mesh", ".HYBRID"] current_folder = cwd = os.getcwd() with open(j_file, 'r') as f: json_data = json.load(f) for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*" + ext)): print(mesh) basename = os.path.splitext(os.path.basename(mesh))[0] bc = os.path.join(current_folder, folder_path, basename + ".txt") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh key = "Q" if "HYBRID" in ext else "P" for discr_order in discr_orders: json_data["export"]["sol_at_node"] = -1 for f in fs: json_data["discr_order"] = discr_order json_data["problem_params"]["neumann_boundary"][0]["value"][1] = f json_data["output"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + "_f" + str(abs(f)) + ".json") # json_data["output"] = os.path.join(current_folder, out_folder, "out_" + basename + "_k" + str(discr_order) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/orthotropic/run_times.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") out_folder = "times" folder_path = "meshes" j_file = "ortho.json" discr_orders = [1, 2] force = -0.00001 exts = ["mesh", "HYBRID"] n_runs = 10 current_folder = cwd = os.getcwd() with open(j_file, 'r') as f: json_data = json.load(f) json_data["problem_params"]["neumann_boundary"][0]["value"][1] = force for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*." + ext)): basename = os.path.splitext(os.path.basename(mesh))[0] # bc = os.path.join(current_folder, folder_path, basename + ".txt") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh # json_data["bc_tag"] = bc for discr_order in discr_orders: json_data["discr_order"] = discr_order for i in range(0, n_runs): json_data["output"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + "_r" + str(i + 1) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/orthotropic/plot_forces.py
import os import glob import numpy as np import json import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10} def plot(f, k, slope, name): if len(f) <= 0 or len(k) <= 0: return [] x, y = zip(*sorted(zip(f, k))[:]) y = np.absolute(y - np.asarray(x)*slope) w = np.polyfit(x[:], y[:], 1) trace = go.Scatter( x=x, y=y, mode='lines+markers', name="{} {:.2e}".format(name, w[0]), line=dict(color=(colors[name])), marker=dict(symbol=marker_shapes[name], size=marker_sizes[name]) ) return [trace] def plot_exact(f, kk): mmin = np.amin(f) mmax = np.amax(f) x = [mmin, mmax] y = [mmin * kk, mmax * kk] trace = go.Scatter( x=x, y=y, mode='lines', showlegend=False, line=dict(color='rgb(178, 190, 195)', dash='dash') ) return [trace] def load(mesh_name): k1 = [] f1 = [] k2 = [] f2 = [] for json_file in glob.glob(os.path.join(os.path.dirname(__file__), out_folder, mesh_name + "_k*.json")): with open(json_file, 'r') as f: json_data = json.load(f) k = json_data["discr_order"] disp = json_data["sol_min"][1] f = -json_data["args"]["problem_params"]["neumann_boundary"][0]["value"][1] if f == 0: print(json_file) if k == 1: k1.append(disp) f1.append(f) else: k2.append(disp) f2.append(f) return f1, k1, f2, k2 if __name__ == '__main__': out_folder = "results" output = "ortho" tri_name = "square_beam" hex_name = "square_beam_h" kk = -10.601655711409355 / 0.00002 tf1, tk1, tf2, tk2 = load(tri_name) hf1, hk1, hf2, hk2 = load(hex_name) layout = go.Layout( legend=dict(x=0.01, y=0.81), xaxis=dict( title="Force", exponentformat='power', showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, nticks=5, tickfont=dict( size=16 ) ), yaxis=dict( title="Error", # tickformat='.1e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, tickfont=dict( size=16 ), autorange=True ), font=dict( size=24 ), hovermode='closest' ) data = [] data.extend(plot(hf1, hk1, kk, "Q1")) data.extend(plot(hf2, hk2, kk, "Q2")) data.extend(plot(tf1, tk1, kk, "P1")) data.extend(plot(tf2, tk2, kk, "P2")) # data.extend(plot_exact(tf1, kk)) fig = go.Figure(data=data, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/orthotropic/print_times.py
import os import json import glob import numpy as np def get_data(p, q): p1 = p[0] p2 = p[1] q1 = q[0] q2 = q[1] p1 = np.mean(p1) p2 = np.mean(p2) q1 = np.mean(q1) q2 = np.mean(q2) return p1, p2, q1, q2 def print_line(title, tb, ta, ts, t, e): string = "{}&\t{:.2e}&\t{:.2e}&\t{:.2e}&\t{:.2e}&\t{:.2e}\\\\".format(title, tb, ta, ts, t, e) string = string.replace("e-0", "e-") string = string.replace("e+0", "e") string = string.replace("e0", "") print(string) if __name__ == '__main__': path = "times" prefixes = ["square_beam", "square_beam_h"] exacts = { "square_beam": -10.601655711409355 / 2 } discrs = [1, 2] basis = {} assembly = {} solve = {} total = {} errors = {} for prefix in prefixes: basis[prefix] = [] assembly[prefix] = [] solve[prefix] = [] total[prefix] = [] errors[prefix] = [] for prefix in prefixes: for discr in discrs: bb = [] aa = [] ss = [] tt = [] ee = [] for data in glob.glob(os.path.join(path, prefix + "_k" + str(discr) + "*.json")): with open(data, 'r') as f: json_data = json.load(f) if "rail" in prefix: disp = json_data["sol_at_node"][1] else: disp = json_data["sol_min"][1] exact = exacts[prefix.replace("_h", "").replace("_nice", "")] bb.append(json_data["time_building_basis"]) aa.append(json_data["time_assembling_stiffness_mat"]) ss.append(json_data["time_solving"]) tt.append(json_data["time_building_basis"]+json_data["time_assembling_stiffness_mat"]+json_data["time_solving"]) ee.append(abs(exact-disp)) basis[prefix].append(bb) assembly[prefix].append(aa) solve[prefix].append(ss) total[prefix].append(tt) errors[prefix].append(ee) for i in range(0, len(prefixes), 2): pp = prefixes[i] qq = prefixes[i+1] print("\n\n" + pp + " " + qq + "\n") print("&$t_b$&\t$t_a$&\t$t_s$&\t$t$&\t$e_f$\\\\") print("\\hline") [p1b, p2b, q1b, q2b] = get_data(basis[pp], basis[qq]) [p1a, p2a, q1a, q2a] = get_data(assembly[pp], assembly[qq]) [p1s, p2s, q1s, q2s] = get_data(solve[pp], solve[qq]) [p1t, p2t, q1t, q2t] = get_data(total[pp], total[qq]) [p1e, p2e, q1e, q2e] = get_data(errors[pp], errors[qq]) print_line("$P_1$", p1b, p1a, p1s, p1t, p1e) print_line("$P_2$", p2b, p2a, p2s, p2t, p2e) print_line("$Q_1$", q1b, q1a, q1s, q1t, q1e) print_line("$Q_2$", q2b, q2a, q2s, q2t, q2e)
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tet-vs-hex
tet-vs-hex-master/ars/hists.py
import os import glob import numpy as np import pandas as pd import plotly.graph_objs as go import plotly.offline as plotly colors = { 'tet': 'rgb(9, 132, 227)', 'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'hex': 'rgb(225, 112, 85)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)'} use_logs = [ True, False, False ] ranges = [ (3, 500), (3, 50), (0.6, 4) ] steps = [ (0.05, 10), (0.05, 1), (0.01, 0.05), ] def plot(data, key): trace = [] n = -1 use_log = use_logs[key] index = 0 if use_log else 1 mmax = ranges[key][index] step = steps[key][index] for k in data: v = data[k][key] if n == -1: n = len(v) else: assert(n == len(v)) v = np.sqrt(v) if use_log: v = np.log10(v) v[v >= mmax] = mmax hist = go.Histogram( x = v, histnorm='percent', name = k, xbins=dict( # bins used for histogram start=0, end=mmax, size=step ), marker=dict(color=colors[k]) ) trace.append(hist) return trace def load(prefix): res = {} for suffix in ["tet", "hex"]: ext = "csv" if suffix == "tet" else "txt" data = pd.read_csv("{}_{}.{}".format(prefix, suffix, ext), delim_whitespace=suffix=="hex") mmin = data["min"].values mmax = data["max"].values avg = data["avg"].values res[suffix] = (mmin, mmax, avg) return res if __name__ == '__main__': keys = {"min": 0, "max": 1, "avg": 2} # prefix = "10k" prefix = "hexalab" name = "avg" key = keys[name] output = "{}_{}".format(prefix, name) data = load(prefix) layout = go.Layout( legend=dict(x=0.81, y=0.81), xaxis=dict( title="Aspect ratio", exponentformat='power', showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, nticks=5, tickfont=dict( size=16 ), tickmode='array', # tickvals=[0, 0.5, 1, 1.5, 2, 2.5], # ticktext=['0', '', '1', '', '1e2', ''] ), yaxis=dict( title="Percentage", # tickformat='.1e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, tickfont=dict( size=16 ), autorange=True ), font=dict( size=24 ), bargap=0.1, bargroupgap=0, hovermode='closest' ) plot_data = plot(data, key) fig = go.Figure(data=plot_data, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/fixed/print_table.py
import os import json def get_filed(data, other, field): if field == "time": vbase = data["time_building_basis"] + data["time_assembling_stiffness_mat"] +data["time_solving"] vother = other["time_building_basis"] + other["time_assembling_stiffness_mat"] +other["time_solving"] elif field == "memory": vbase = data["solver_info"]["mem_total_peak"] vother = other["solver_info"]["mem_total_peak"] elif field == "DOF": vbase = round(data["num_dofs"]/3) vother = round(other["num_dofs"]/3) elif field == "error": vbase = abs(data["sol_min"][1] - -0.09694505138106606) vother = abs(other["sol_min"][1] - -0.09694505138106606) else: vbase = data[field] vother = other[field] return vbase, vother def print_line(data, other, field, is_diag, format): [vbase, vother] = get_filed(data, other, field) if field == "time": vbases = "{:.2f}".format(vbase) vothers = "{:.2f}".format(vother) elif field == "memory": vbases = "{:,}".format(round(vbase/1024)) vothers = "{:,}".format(round(vother/1024)) # vbases = "{:,}".format(round(vbase)) # vothers = "{:,}".format(round(vother)) elif field == "DOF": vbases = "{:,}".format(vbase) vothers = "{:,}".format(vother) elif field == "error": vbases = "{:.2e}".format(vbase) vothers = "{:.2e}".format(vother) else: vbases = "{}".format(vbase) vothers = "{}".format(vother) if(is_diag): string = "\\diagcol{" + vbases + "~/~" + vothers + "}" else: if vbase < vother: string = "\\goodcol{" + vbases + "}~/~" + vothers else: string = vbases + "~/~\\goodcol{" + vothers + "}" return string if __name__ == '__main__': path = "results" discrs = [1, 2, 3] keys = ["time", "memory", "DOF", "error"] print("\\begin{tabular}{lr|cccc}") print("&&time (s)&\tmemory (MB)&\tDOF&\terror\\\\") for kk in discrs: p = 2 if kk == 3 else kk q = 1 if kk == 3 else kk with open(os.path.join(path, "out_p" + str(p) + ".json"), 'r') as f: data = json.load(f) with open(os.path.join(path, "out_same_dof_p" + str(kk) + ".json"), 'r') as f: same_dof = json.load(f) with open(os.path.join(path, "out_same_err_p" + str(kk) + ".json"), 'r') as f: same_err = json.load(f) with open(os.path.join(path, "out_same_mem_p" + str(kk) + ".json"), 'r') as f: same_mem = json.load(f) with open(os.path.join(path, "out_same_time_p" + str(kk) + ".json"), 'r') as f: same_time = json.load(f) print("\\hline") print("\\multirow{" + ("4" if p == 1 else "3") + "}{*}{\\rotatebox{90}{$P_"+str(p)+"$/$Q_"+str(q)+"$}}") for k1 in keys: print("%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%") print("&" + k1 + "&") if k1 == "time": other = same_time elif k1 == "memory": other = same_mem elif k1 == "DOF": other = same_dof else: other = same_err for k2 in keys: print(print_line(data, other, k2, k1 == k2, ":") + ("\\\\" if k2 == keys[-1] else "&")) print("%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%") print("%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%") print("\\end{tabular}")
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tet-vs-hex
tet-vs-hex-master/fixed/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") out_folder = "results" discr_orders = [2] folder_path = "meshes" current_folder = cwd = os.getcwd() with open("beam.json", 'r') as f: json_data = json.load(f) for discr_order in discr_orders: mesh = os.path.join(current_folder, folder_path + "/mesh.mesh") json_data["mesh"] = mesh json_data["discr_order"] = 1 if discr_order == 3 else discr_order json_data["output"] = os.path.join(current_folder, out_folder, "out_p" + str(discr_order) + ".json") # with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: # with open(tmp_json.name, 'w') as f: # f.write(json.dumps(json_data, indent=4)) # args = [polyfem_exe, # '--json', tmp_json.name, # '--cmd'] # subprocess.run(args) for mesh in glob.glob(os.path.join(folder_path, "*_p" + str(discr_order) + ".HYBRID")): basename = os.path.splitext(os.path.basename(mesh))[0] mesh = os.path.join(current_folder, mesh) print("\n\n----------------------------") print(basename) print("----------------------------") json_data["mesh"] = mesh json_data["output"] = os.path.join(current_folder, out_folder, "out_" + basename + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/matching_error/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") print(polyfem_exe) out_folder = "err" refs = [0, 1] p2s = [[], [] #["square_beam.off_20.mesh"] # ["square_beam.off_1.mesh", "square_beam.off_10.mesh", "square_beam.off_20.mesh", "square_beam.off_5.mesh", "square_beam.off_50.mesh", "square_beam.off_6.mesh", "square_beam.off_7.mesh", "square_beam.off_8.mesh", "square_beam.off_9.mesh"], # ["square_beam.off_1.mesh", "square_beam.off_5.mesh", "square_beam.off_6.mesh", "square_beam.off_7.mesh", "square_beam.off_8.mesh", "square_beam.off_9.mesh", "square_beam.off_10.mesh", "square_beam.off_20.mesh"] ] q1s = [[], [] # ["square_beam.off_1.HYBRID", "square_beam.off_10.HYBRID", "square_beam.off_20.HYBRID", "square_beam.off_5.HYBRID", "square_beam.off_50.HYBRID", "square_beam.off_6.HYBRID", "square_beam.off_7.HYBRID", "square_beam.off_8.HYBRID", "square_beam.off_9.HYBRID"], # ["square_beam.off_1.HYBRID", "square_beam.off_5.HYBRID", "square_beam.off_6.HYBRID", "square_beam.off_7.HYBRID", "square_beam.off_8.HYBRID", "square_beam.off_9.HYBRID", "square_beam.off_10.HYBRID"] ] use_reduced = True if use_reduced: q2s = [ ["spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID", "spline_square_beam.off_50.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID"], ["spline_square_beam.off_6.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID", "spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID"] ] else: q2s = [ ["spline_square_beam.off_1.HYBRID", "spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID", "spline_square_beam.off_5.HYBRID", "spline_square_beam.off_50.HYBRID", "spline_square_beam.off_6.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID"], ["spline_square_beam.off_1.HYBRID", "spline_square_beam.off_5.HYBRID", "spline_square_beam.off_6.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID", "spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID"] ] splines = [[], [] #["spline_square_beam.off_20.HYBRID"] # ["spline_square_beam.off_1.HYBRID", "spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID", "spline_square_beam.off_5.HYBRID", "spline_square_beam.off_50.HYBRID", "spline_square_beam.off_6.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID"], # ["spline_square_beam.off_1.HYBRID", "spline_square_beam.off_5.HYBRID", "spline_square_beam.off_6.HYBRID", "spline_square_beam.off_7.HYBRID", "spline_square_beam.off_8.HYBRID", "spline_square_beam.off_9.HYBRID", "spline_square_beam.off_10.HYBRID", "spline_square_beam.off_20.HYBRID"] ] n_runs = 10 folder_path = "meshes" current_folder = os.getcwd() with open("error.json", 'r') as f: json_data = json.load(f) for run in range(n_runs): run_f = "run_{}".format(run) # os.mkdir(os.path.join(current_folder, out_folder, run_f)) for n_refs in refs: p2 = p2s[n_refs] q1 = q1s[n_refs] q2 = q2s[n_refs] spline = splines[n_refs] json_data["n_refs"] = n_refs json_data["quadrature_order"] = 4 json_data["serendipity"] = False print("------------------") print("P2") print("------------------") for mesh_name in p2: mesh = os.path.join("meshes", mesh_name) basename = os.path.splitext(os.path.basename(mesh))[0].replace("square_beam.off_", "") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh json_data["discr_order"] = 2 json_data["use_spline"] = False json_data["output"] = os.path.join(current_folder, out_folder, run_f, "P2_" + basename + "_" + str(n_refs) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args) ####################################################################### print("------------------") print("Q1") print("------------------") for mesh_name in q1: mesh = os.path.join("matching_error", mesh_name) basename = os.path.splitext(os.path.basename(mesh))[0].replace("square_beam.off_", "") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh json_data["discr_order"] = 1 json_data["use_spline"] = False json_data["output"] = os.path.join(current_folder, out_folder, run_f, "Q1_" + basename + "_" + str(n_refs) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args) ####################################################################### print("------------------") print("Q2") print("------------------") for mesh_name in q2: mesh = os.path.join("matching_error", mesh_name) basename = os.path.splitext(os.path.basename(mesh))[0].replace("spline_square_beam.off_", "") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh json_data["discr_order"] = 2 json_data["serendipity"] = True json_data["quadrature_order"] = 2 if use_reduced else 4 json_data["use_spline"] = False json_data["output"] = os.path.join( current_folder, out_folder, run_f, "S" + ("R" if use_reduced else "") + "_" + basename + "_" + str(n_refs) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args) json_data["serendipity"] = False json_data["quadrature_order"] = 4 # ####################################################################### print("------------------") print("spline") print("------------------") for mesh_name in spline: mesh = os.path.join("matching_error", mesh_name) basename = os.path.splitext(os.path.basename(mesh))[0].replace("spline_square_beam.off_", "") mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh json_data["discr_order"] = 1 json_data["use_spline"] = True json_data["output"] = os.path.join(current_folder, out_folder, run_f, "spline_" + basename + "_" + str(n_refs) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/matching_error/plot.py
import os import json import glob import pandas as pd from pandas.io.json import json_normalize import numpy as np import pickle import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)', 'SR': 'rgb(253, 203, 110)', 'Q2R': 'rgb(255, 234, 167)', 'S': 'rgb(250, 177, 160)', 'Spline': 'rgb(45, 52, 54)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star','Q2R': 'star','SR': 'star','S': 'star', 'Spline': 'square'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10, 'Q2R': 10, 'SR': 10, 'S': 10, 'Spline': 6} def plot(k, ratio, name): if len(k) <=0: return [] x = [] for v in k[0]["sol_min"].values: x.append(abs(v[1] - ratio * 2)) y = np.zeros(k[0]["time_solving"].values.shape) for e in k: y += e["time_building_basis"].values + e["time_assembling_stiffness_mat"].values + e["time_solving"].values # y += e["time_solving"].values # y += e["solver_info.mem_total_peak"].values y /= len(k) if name == "SR": x, y = zip(*sorted(zip(x, y))[2:-2]) # # x = x[2:] # # y = y[2:] else: x, y = zip(*sorted(zip(x, y))[2:]) trace = go.Scatter( x=x, y=y, mode='lines+markers', name=name, line=dict(color=(colors[name])), marker=dict(symbol=marker_shapes[name], size=marker_sizes[name]) ) return [trace] def load(mesh_name, first, name, data_folder): k1 = [] k2 = [] pickle_path = os.path.join(data_folder, name) if os.path.isfile(pickle_path): with open(pickle_path, "rb") as fp: return pickle.load(fp) for r in range(10): k1t = pd.DataFrame() k2t = pd.DataFrame() for json_file in glob.glob(os.path.join(out_folder, "run_{}".format(r), mesh_name + "*.json")): with open(json_file, 'r') as f: json_data = json.load(f) if json_data is None: print(json_file) k = json_data["discr_order"] tmp = json_normalize(json_data) if k == 1: if k1t.empty: k1t = tmp else: k1t = pd.concat([k1t, tmp]) else: if k2t.empty: k2t = tmp else: k2t = pd.concat([k2t, tmp]) k1.append(k1t) k2.append(k2t) tmp = k1 if first else k2 with open(pickle_path, "wb") as fp: pickle.dump(tmp, fp) return tmp if __name__ == '__main__': out_folder = "err" data_folder = "data" tri_name = "P2_" hex_name = "Q1_" reduced_name = "Q2R_" q2_name = "Q2_" spline_name = "spline_" serendipity_r = "SR_" serendipity = "S_" # using dense P4 solution ratio = -0.09694505138106606 / 2 output = None #"P2_Q1_S" tk2 = load(tri_name, False, "tk2.pkl", data_folder) hk1 = load(hex_name, True, "hk1.pkl", data_folder) hs = load(spline_name, True, "hs.pkl", data_folder) reduced = load(reduced_name, False, "reduced.pkl", data_folder) q2 = load(q2_name, False, "q2.pkl", data_folder) sr = load(serendipity_r, False, "sr.pkl", data_folder) S = load(serendipity, False, "S.pkl", data_folder) layout = go.Layout( legend=dict(x=0.9, y=0.9), xaxis=dict( title="Error", exponentformat='power', showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, type='log', nticks=5, tickfont=dict( size=16 ), # autorange='reversed' ), yaxis=dict( title="Time", # tickformat='.1e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, type='log', tickfont=dict( size=16 ), autorange=True ), font=dict( size=24 ), hovermode='closest' ) data = [] data.extend(plot(hk1, ratio, "Q1")) data.extend(plot(tk2, ratio, "P2")) data.extend(plot(hs, ratio, "Spline")) # data.extend(plot(reduced, ratio, "Q2R")) data.extend(plot(q2, ratio, "Q2")) data.extend(plot(sr, ratio, "SR")) data.extend(plot(S, ratio, "S")) fig = go.Figure(data=data, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/stokes/paraview.py
from paraview.simple import * import os sources = [] for k in GetSources(): s = GetSources()[k] sources.append(s) models = [] names = [] for s in sources: name = s.FileName[0] name = os.path.splitext(os.path.basename(name))[0] print(name) Hide(s) modelDisplay = Show(s) ColorBy(modelDisplay, ('POINTS', 'solution', 'Magnitude')) models.append(s) names.append(name) HideAll() RenderAllViews() renderView = GetActiveViewOrCreate('RenderView') renderView.InteractionMode = '2D' renderView.CameraPosition = [0.5, 0.5, 10000.0] renderView.CameraFocalPoint = [0.5, 0.5, 0.0] renderView.CameraParallelScale = 0.5843857695756589 for i in range(len(models)): m = models[i] n = names[i] Show(m) solutionLUT = GetColorTransferFunction('solution') solutionLUT.ApplyPreset('Rainbow Uniform', True) solutionLUT.NumberOfTableValues = 12 solutionLUT.RescaleTransferFunction(0.0, 0.25) # solutionLUTColorBar.Enabled = True # solutionLUTColorBar = GetScalarBar(solutionLUT, renderView) RenderAllViews() SaveScreenshot('./images/' + n + '.png', renderView, ImageResolution=[2*2204, 2*960]) Hide(m)
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tet-vs-hex
tet-vs-hex-master/stokes/run.py
import os import json import glob # import polyfempy import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") out_folder = "results" discr_orders = [2] folder_path = "meshes" current_folder = cwd = os.getcwd() with open("experiment.json", 'r') as f: json_data = json.load(f) # solver = polyfempy.Solver() # solver.set_log_level(0) for mesh in glob.glob(os.path.join(folder_path, "*.obj")): basename = os.path.splitext(os.path.basename(mesh))[0] mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh json_data["n_refs"] = 0 if basename.find("quad") == -1 else 6 for discr_order in discr_orders: json_data["discr_order"] = discr_order json_data["output"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + ".json") json_data["export"]["vis_mesh"] = os.path.join(current_folder, out_folder, basename + "_k" + str(discr_order) + ".vtu") # solver.load_parameters(json.dumps(json_data)) # solver.load_mesh() # solver.solve() # solver.export_data() with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd', '--log_level', '1'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/stokes/plot.py
import os import glob import numpy as np import json import pandas as pd import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10} def plot(xx, yy, name, pos): n = int(len(xx)/3) x, y = zip(*sorted(zip(xx, yy))[:n]) trace = go.Scatter( x=x, y=y, mode='lines', name="{} {}".format(name, pos), line=dict(color=(colors[name]), dash='solid' if name == "Q2" else 'dash'), ) return trace def load(folder, fname): csv_name = os.path.join(folder, "{}.csv".format(fname)) data = pd.read_csv(csv_name) x = np.array(data["arc_length"]) y = np.array(data["solution:1"]) return x, y if __name__ == '__main__': root = "data" data = { "q50": ["Q2", "0.5"], "t50": ["P2", "0.5"], "q05": ["Q2", "0.05"], "t05": ["P2", "0.05"], "q01": ["Q2", "0.01"], "t01": ["P2", "0.01"] } output = "stokes" trace = [] for out_f in data: x, y = load(root, out_f) trace.append(plot(x, y, data[out_f][0], data[out_f][1])) layout = go.Layout( legend=dict(x=0.6, y=0.87), xaxis=dict( title="Time", showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, nticks=6, tickfont=dict( size=16 ) ), yaxis=dict( title="Y-velocity", # title="Error", # type='log', tickformat='.0e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, tickfont=dict( size=16 ), autorange=True, ), font=dict( size=24 ), hovermode='closest' ) fig = go.Figure(data=trace, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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tet-vs-hex
tet-vs-hex-master/L/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") out_folder = "results" vtu_folder = "vtu" discr_orders = [1, 2] exts = ["mesh", "HYBRID"] folder_path = "meshes" current_folder = cwd = os.getcwd() with open("bar.json", 'r') as f: json_data = json.load(f) for ext in exts: n_refs = 0 if ext == "mesh" else 4 name = "p" if ext == "mesh" else "q" json_data["n_refs"] = n_refs for mesh in glob.glob(os.path.join(folder_path, "*." + ext)): basename = os.path.splitext(os.path.basename(mesh))[0] mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh for discr_order in discr_orders: json_data["discr_order"] = discr_order json_data["output"] = os.path.join(current_folder, out_folder, "out_" + basename + "_" + name + str(discr_order) + ".json") json_data["export"]["vis_mesh"] = os.path.join(current_folder, vtu_folder, "out_" + basename + "_" + name + str(discr_order) + ".vtu") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd'] subprocess.run(args)
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tet-vs-hex
tet-vs-hex-master/L/save_screen.py
from paraview.simple import * import os sources = [] for k in GetSources(): s = GetSources()[k] sources.append(s) warpeds = [] names = [] for s in sources: name = s.FileName[0] name = os.path.splitext(os.path.basename(name))[0] print(name) warped = WarpByVector(Input=s) warped.Vectors = ['POINTS', 'solution'] Hide(s) warpedDisplay = Show(warped) ColorBy(warpedDisplay, ('POINTS', 'scalar_value_avg')) warpeds.append(warped) names.append(name) HideAll() RenderAllViews() renderView = GetActiveViewOrCreate('RenderView') renderView.OrientationAxesVisibility = 0 renderView.CameraPosition = [4.2528865459817435, 1.758183607362867, -4.761903658658314] renderView.CameraFocalPoint = [-0.9194307035427889, -0.0903877956036081, 1.7056893390118553] renderView.CameraViewUp = [-0.1470083030936321, 0.9758847754930258, 0.16136128340608114] renderView.CameraParallelScale = 1.5 for i in range(len(warpeds)): w = warpeds[i] n = names[i] Show(w) solutionLUT = GetColorTransferFunction('scalar_value_avg') solutionLUT.ApplyPreset('Rainbow Uniform', True) solutionLUT.NumberOfTableValues = 12 solutionLUT.RescaleTransferFunction(0, 140000) # solutionLUTColorBar.Enabled = True # solutionLUTColorBar = GetScalarBar(solutionLUT, renderView) RenderAllViews() SaveScreenshot('./images/' + n + '.png', renderView, ImageResolution=[2*2204, 2*960]) Hide(w)
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tet-vs-hex
tet-vs-hex-master/time-depentent/paraview.py
from paraview.simple import * #### disable automatic camera reset on 'Show' paraview.simple._DisableFirstRenderCameraReset() # find source #dense sources = { "P1": 17450, "P2": 17450, "Q1": 36864, "Q2": 36864, } #coarse # sources = { # "P1": 49531, # "P2": 49531, # "Q1": 26896, # "Q2": 26896, # } # Create a new 'Quartile Chart View' quartileChartView = CreateView('QuartileChartView') quartileChartView.ViewSize = [976, 426] spreadSheetView = CreateView('SpreadSheetView') spreadSheetView.BlockSize = 1024L # get layout layout = GetLayout() layout.AssignView(2, quartileChartView) layout.AssignView(3, spreadSheetView) for k in sources: source = FindSource('{}_step_*'.format(k)) # create a new 'Plot Selection Over Time' sel = SelectPoints(query="id=={}".format(sources[k])) plotSelectionOverTime = PlotSelectionOverTime(Input=source, Selection=sel) # show data in view plotSelectionOverTimeDisplay = Show(plotSelectionOverTime, quartileChartView) plotSelectionOverTimeTable = Show(plotSelectionOverTime, spreadSheetView) ExportView('/Users/teseo/data/tet-vs-hex/time-depentent/vtu/{}.csv'.format(k), view=spreadSheetView) # trace defaults for the display properties. plotSelectionOverTimeDisplay.AttributeType = 'Row Data' plotSelectionOverTimeDisplay.UseIndexForXAxis = 0 plotSelectionOverTimeDisplay.XArrayName = 'Time' plotSelectionOverTimeDisplay.SeriesVisibility = ['solution (1) (stats)'] plotSelectionOverTimeDisplay.SeriesLabel = ['discr (stats)', 'discr (stats)', 'scalar_value (stats)', 'scalar_value (stats)', 'scalar_value_avg (stats)', 'scalar_value_avg (stats)', 'solution (0) (stats)', 'solution (0) (stats)', 'solution (1) (stats)', k, 'solution (2) (stats)', 'solution (2) (stats)', 'solution (Magnitude) (stats)', 'solution (Magnitude) (stats)', 'tensor_value_11 (stats)', 'tensor_value_11 (stats)', 'tensor_value_12 (stats)', 'tensor_value_12 (stats)', 'tensor_value_21 (stats)', 'tensor_value_21 (stats)', 'tensor_value_22 (stats)', 'tensor_value_22 (stats)', 'vtkOriginalPointIds (stats)', 'vtkOriginalPointIds (stats)', 'X (stats)', 'X (stats)', 'Y (stats)', 'Y (stats)', 'Z (stats)', 'Z (stats)', 'N (stats)', 'N (stats)', 'Time (stats)', 'Time (stats)', 'vtkValidPointMask (stats)', 'vtkValidPointMask (stats)'] plotSelectionOverTimeDisplay.SeriesColor = ['discr (stats)', '0', '0', '0', 'scalar_value (stats)', '0.89', '0.1', '0.11', 'scalar_value_avg (stats)', '0.22', '0.49', '0.72', 'solution (0) (stats)', '0.3', '0.69', '0.29', 'solution (1) (stats)', '0.6', '0.31', '0.64', 'solution (2) (stats)', '1', '0.5', '0', 'solution (Magnitude) (stats)', '0.65', '0.34', '0.16', 'tensor_value_11 (stats)', '0', '0', '0', 'tensor_value_12 (stats)', '0.89', '0.1', '0.11', 'tensor_value_21 (stats)', '0.22', '0.49', '0.72', 'tensor_value_22 (stats)', '0.3', '0.69', '0.29', 'vtkOriginalPointIds (stats)', '0.6', '0.31', '0.64', 'X (stats)', '1', '0.5', '0', 'Y (stats)', '0.65', '0.34', '0.16', 'Z (stats)', '0', '0', '0', 'N (stats)', '0.89', '0.1', '0.11', 'Time (stats)', '0.22', '0.49', '0.72', 'vtkValidPointMask (stats)', '0.3', '0.69', '0.29'] plotSelectionOverTimeDisplay.SeriesPlotCorner = ['discr (stats)', '0', 'scalar_value (stats)', '0', 'scalar_value_avg (stats)', '0', 'solution (0) (stats)', '0', 'solution (1) (stats)', '0', 'solution (2) (stats)', '0', 'solution (Magnitude) (stats)', '0', 'tensor_value_11 (stats)', '0', 'tensor_value_12 (stats)', '0', 'tensor_value_21 (stats)', '0', 'tensor_value_22 (stats)', '0', 'vtkOriginalPointIds (stats)', '0', 'X (stats)', '0', 'Y (stats)', '0', 'Z (stats)', '0', 'N (stats)', '0', 'Time (stats)', '0', 'vtkValidPointMask (stats)', '0'] plotSelectionOverTimeDisplay.SeriesLabelPrefix = '' plotSelectionOverTimeDisplay.SeriesLineStyle = ['discr (stats)', '1', 'scalar_value (stats)', '1', 'scalar_value_avg (stats)', '1', 'solution (0) (stats)', '1', 'solution (1) (stats)', '1', 'solution (2) (stats)', '1', 'solution (Magnitude) (stats)', '1', 'tensor_value_11 (stats)', '1', 'tensor_value_12 (stats)', '1', 'tensor_value_21 (stats)', '1', 'tensor_value_22 (stats)', '1', 'vtkOriginalPointIds (stats)', '1', 'X (stats)', '1', 'Y (stats)', '1', 'Z (stats)', '1', 'N (stats)', '1', 'Time (stats)', '1', 'vtkValidPointMask (stats)', '1'] plotSelectionOverTimeDisplay.SeriesLineThickness = ['discr (stats)', '2', 'scalar_value (stats)', '2', 'scalar_value_avg (stats)', '2', 'solution (0) (stats)', '2', 'solution (1) (stats)', '2', 'solution (2) (stats)', '2', 'solution (Magnitude) (stats)', '2', 'tensor_value_11 (stats)', '2', 'tensor_value_12 (stats)', '2', 'tensor_value_21 (stats)', '2', 'tensor_value_22 (stats)', '2', 'vtkOriginalPointIds (stats)', '2', 'X (stats)', '2', 'Y (stats)', '2', 'Z (stats)', '2', 'N (stats)', '2', 'Time (stats)', '2', 'vtkValidPointMask (stats)', '2'] plotSelectionOverTimeDisplay.SeriesMarkerStyle = ['discr (stats)', '0', 'scalar_value (stats)', '0', 'scalar_value_avg (stats)', '0', 'solution (0) (stats)', '0', 'solution (1) (stats)', '0', 'solution (2) (stats)', '0', 'solution (Magnitude) (stats)', '0', 'tensor_value_11 (stats)', '0', 'tensor_value_12 (stats)', '0', 'tensor_value_21 (stats)', '0', 'tensor_value_22 (stats)', '0', 'vtkOriginalPointIds (stats)', '0', 'X (stats)', '0', 'Y (stats)', '0', 'Z (stats)', '0', 'N (stats)', '0', 'Time (stats)', '0', 'vtkValidPointMask (stats)', '0'] # update the view to ensure updated data information quartileChartView.Update() #### uncomment the following to render all views # RenderAllViews() # alternatively, if you want to write images, you can use SaveScreenshot(...).
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tet-vs-hex
tet-vs-hex-master/time-depentent/run.py
import os import json import glob import subprocess import tempfile if __name__ == '__main__': polyfem_exe = os.path.join(os.environ["POLYFEM_BIN_DIR"], "PolyFEM_bin") vtu_folder = "vtu" json_folder = "out" discr_orders = [1, 2] time_steps = 40 tend = 0.5 exts = ["obj"] folder_path = "meshes" current_folder = cwd = os.getcwd() with open("run.json", 'r') as f: json_data = json.load(f) json_data["time_steps"] = time_steps json_data["tend"] = tend for ext in exts: for mesh in glob.glob(os.path.join(folder_path, "*." + ext)): basename = os.path.splitext(os.path.basename(mesh))[0] print(basename, "\n-----------") title = "P" if basename.find("quad") == -1 else "Q" json_data["n_refs"] = 0 if basename.find("quad") == -1 else 6 # json_data["n_refs"] = 0 if basename.find("quad") == -1 else 3 print(json_data["n_refs"]) mesh = os.path.join(current_folder, mesh) json_data["mesh"] = mesh for discr_order in discr_orders: json_data["discr_order"] = discr_order json_data["output"] = os.path.join(current_folder, json_folder, title + str(discr_order) + ".json") with tempfile.NamedTemporaryFile(suffix=".json") as tmp_json: with open(tmp_json.name, 'w') as f: f.write(json.dumps(json_data, indent=4)) args = [polyfem_exe, '--json', tmp_json.name, '--cmd', '--log_level', '1'] subprocess.run(args) for s in range(time_steps+1): os.rename( os.path.join(current_folder, "step_{}.vtu".format(s)), os.path.join(current_folder, vtu_folder, "{}{}_step_{:02d}.vtu".format(title, discr_order, s))) os.rename( os.path.join(current_folder, "step_{}.obj".format(s)), os.path.join(current_folder, vtu_folder, "{}{}_step_{:02d}.obj".format(title, discr_order, s)))
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tet-vs-hex
tet-vs-hex-master/time-depentent/plot.py
import os import glob import numpy as np import json import pandas as pd import plotly.graph_objs as go import plotly.offline as plotly colors = {'P1': 'rgb(9, 132, 227)', 'P2': 'rgb(108, 92, 231)', 'Q1': 'rgb(225, 112, 85)', 'Q2': 'rgb(214, 48, 49)'} marker_shapes = {'P1': 'circle', 'P2': 'circle', 'Q1': 'star', 'Q2': 'star'} marker_sizes = {'P1': 6, 'P2': 6, 'Q1': 10, 'Q2': 10} def plot(t, disp, name, suffix): x, y = zip(*sorted(zip(t, disp))[:]) trace = go.Scatter( x=x, y=y, mode='lines+markers', name="{} {}".format(name, suffix), line=dict(color=(colors[name]), dash='solid' if suffix == "coarse" else "dash"), marker=dict(symbol=marker_shapes[name], size=marker_sizes[name]* (1 if suffix == "coarse" else 0)) ) return trace def load(name, folder, tend): csv_name = os.path.join(folder, "{}.csv".format(name)) data = pd.read_csv(csv_name) t = np.array(data["Time"]) t = t/np.max(t)*tend disp = np.array(data["max(solution (0))"]) return name, t, disp if __name__ == '__main__': out_folders = {"vtu": "fine", "vtu_coarse": "coarse"} # out_folders = {"vtu_coarse": "coarse"} tend = 0.5 output = "plot" trace = [] for out_f in out_folders: for k in colors: n, t, disp = load(k, out_f, tend) # err = np.abs(dispp1 - exact) trace.append(plot(t, disp, n, out_folders[out_f])) layout = go.Layout( legend=dict(x=0.1, y=0.87), xaxis=dict( title="Time", showticksuffix='all', showtickprefix='all', showexponent='all', # autotick=True, nticks=6, tickfont=dict( size=16 ) ), yaxis=dict( title="X-displacement", # title="Error", # type='log', tickformat='.0e', exponentformat='power', ticks='', # tick0=0, # dtick=1, # tickangle=-45, tickfont=dict( size=16 ), autorange=True, ), font=dict( size=24 ), hovermode='closest' ) fig = go.Figure(data=trace, layout=layout) if output is not None: plotly.plot(fig, image="svg", image_filename=output) else: plotly.plot(fig)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/setup.py
from setuptools import setup, find_packages setup( name='pytorchts', version='0.1.0', description="PyTorch Probabilistic Time Series Modeling framework", long_description=open("README.md").read(), long_description_content_type="text/markdown", url='https://github.com/kashif/pytorch-ts', license='MIT', packages=find_packages(exclude=["tests"]), include_package_data=True, zip_safe=True, python_requires=">=3.6", install_requires = [ 'torch==1.4.0', 'holidays', 'numpy', 'pandas', 'scipy', 'tqdm', 'pydantic==1.4.0', 'matplotlib', 'python-rapidjson', 'tensorboard', ], test_suite='tests', tests_require = [ 'flake8', 'pytest' ], ) #pip install git+https://github.com/ildoonet/pytorch-gradual-warmup-lr.git
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/load_dataset.py
import numpy as np import pandas as pd import copy import os from pathlib import Path from utils import convert_price_file from pts.dataset import ListDataset, FieldName from accuracy_evaluator import calculate_and_save_data def first_nonzero(arr, axis, invalid_val=-1): mask = arr!=0 return np.where(mask.any(axis=axis), mask.argmax(axis=axis), invalid_val) def get_second_sale_idx(target_values): first_sale = first_nonzero(target_values, axis=1) target_values_copy = copy.deepcopy(target_values) for i in range(30490): target_values_copy[i,first_sale[i]] = 0 second_sale = first_nonzero(target_values_copy, axis=1) return second_sale def make_m5_dummy_features(m5_input_path): target_values = np.array([list(range(1969))] * 30490) dynamic_cat = np.zeros([30490, 4, 1969]) dynamic_real = np.zeros([30490, 6, 1969]) stat_cat = np.zeros([30490, 5]) stat_cat_cardinalities = [3049, 7, 3, 10, 3] dynamic_past = np.zeros([30490, 1, 1969]) return target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat, stat_cat_cardinalities def make_m5_features(m5_input_path): # First we need to convert the provided M5 data into a format that is readable by GluonTS. # At this point we assume that the M5 data, which can be downloaded from Kaggle, is present under m5_input_path. calendar = pd.read_csv(f'{m5_input_path}/calendar.csv') sales_train_evaluation = pd.read_csv(f'{m5_input_path}/sales_train_evaluation.csv') sample_submission = pd.read_csv(f'{m5_input_path}/sample_submission.csv') # append dummy for expanding all period for i in range(1942, 1970): sales_train_evaluation[f"d_{i}"] = np.nan # d_1 ~ d1969 converted_price_file = Path(f'{m5_input_path}/converted_price_evaluation.csv') if not converted_price_file.exists(): convert_price_file(m5_input_path) converted_price = pd.read_csv(converted_price_file) # target_value train_df = sales_train_evaluation.drop(["id","item_id","dept_id","cat_id","store_id","state_id"], axis=1) # d_1 ~ d_1969 target_values = train_df.values ################################# # FEAT_DYNAMIC_CAT # Event type event_type_to_idx = {"nan":0, "Cultural":1, "National":2, "Religious":3, "Sporting":4} event_type1 = np.array([event_type_to_idx[str(x)] for x in calendar['event_type_1'].values]) event_type2 = np.array([event_type_to_idx[str(x)] for x in calendar['event_type_2'].values]) # Event name event_name_to_idx = {'nan':0, 'Chanukah End':1, 'Christmas':2, 'Cinco De Mayo':3, 'ColumbusDay':4, 'Easter':5, 'Eid al-Fitr':6, 'EidAlAdha':7, "Father's day":8, 'Halloween':9, 'IndependenceDay':10, 'LaborDay':11, 'LentStart':12, 'LentWeek2':13, 'MartinLutherKingDay':14, 'MemorialDay':15, "Mother's day":16, 'NBAFinalsEnd':17, 'NBAFinalsStart':18, 'NewYear':19, 'OrthodoxChristmas':20, 'OrthodoxEaster':21, 'Pesach End':22, 'PresidentsDay':23, 'Purim End':24, 'Ramadan starts':25, 'StPatricksDay':26, 'SuperBowl':27, 'Thanksgiving':28, 'ValentinesDay':29, 'VeteransDay':30} event_name1 = np.array([event_name_to_idx[str(x)] for x in calendar['event_name_1'].values]) event_name2 = np.array([event_name_to_idx[str(x)] for x in calendar['event_name_2'].values]) event_features = np.stack([event_type1, event_type2, event_name1, event_name2]) dynamic_cat = [event_features] * len(sales_train_evaluation) ################################# # FEAT_DYNAMIC_REAL # SNAP_CA, TX, WI snap_features = calendar[['snap_CA', 'snap_TX', 'snap_WI']] snap_features = snap_features.values.T snap_features_expand = np.array([snap_features] * len(sales_train_evaluation)) # 30490 * 3 * T # sell_prices price_feature = converted_price.drop(["id","item_id","dept_id","cat_id","store_id","state_id"], axis=1).values # normalized sell prices normalized_price_file = Path(f'{m5_input_path}/normalized_price_evaluation.npz') if not normalized_price_file.exists(): # normalized sell prices per each item price_mean_per_item = np.nanmean(price_feature, axis=1, keepdims=True) price_std_per_item = np.nanstd(price_feature, axis=1, keepdims=True) normalized_price_per_item = (price_feature - price_mean_per_item) / (price_std_per_item + 1e-6) # normalized sell prices per day within the same dept dept_groups = converted_price.groupby('dept_id') price_mean_per_dept = dept_groups.transform(np.nanmean) price_std_per_dept = dept_groups.transform(np.nanstd) normalized_price_per_group_pd = (converted_price[price_mean_per_dept.columns] - price_mean_per_dept) / (price_std_per_dept + 1e-6) normalized_price_per_group = normalized_price_per_group_pd.values np.savez(normalized_price_file, per_item = normalized_price_per_item, per_group = normalized_price_per_group) else: normalized_price = np.load(normalized_price_file) normalized_price_per_item = normalized_price['per_item'] normalized_price_per_group = normalized_price['per_group'] price_feature = np.nan_to_num(price_feature) normalized_price_per_item = np.nan_to_num(normalized_price_per_item) normalized_price_per_group = np.nan_to_num(normalized_price_per_group) all_price_features = np.stack([price_feature, normalized_price_per_item, normalized_price_per_group], axis=1) # 30490 * 3 * T dynamic_real = np.concatenate([snap_features_expand, all_price_features], axis=1) # 30490 * 6 * T ################################# # FEAT_STATIC_CAT # We then go on to build static features (features which are constant and series-specific). # Here, we make use of all categorical features that are provided to us as part of the M5 data. state_ids = sales_train_evaluation["state_id"].astype('category').cat.codes.values state_ids_un , state_ids_counts = np.unique(state_ids, return_counts=True) store_ids = sales_train_evaluation["store_id"].astype('category').cat.codes.values store_ids_un , store_ids_counts = np.unique(store_ids, return_counts=True) cat_ids = sales_train_evaluation["cat_id"].astype('category').cat.codes.values cat_ids_un , cat_ids_counts = np.unique(cat_ids, return_counts=True) dept_ids = sales_train_evaluation["dept_id"].astype('category').cat.codes.values dept_ids_un , dept_ids_counts = np.unique(dept_ids, return_counts=True) item_ids = sales_train_evaluation["item_id"].astype('category').cat.codes.values item_ids_un , item_ids_counts = np.unique(item_ids, return_counts=True) stat_cat_list = [item_ids, dept_ids, cat_ids, store_ids, state_ids] stat_cat = np.concatenate(stat_cat_list) stat_cat = stat_cat.reshape(len(stat_cat_list), len(item_ids)).T stat_cat_cardinalities = [len(item_ids_un), len(dept_ids_un), len(cat_ids_un), len(store_ids_un), len(state_ids_un)] # [3049, 7, 3, 10, 3] ################################# # FEAT_STATIC_REAL # None ################################# # FEAT_DYNAMIC_PAST # 미래에는 사용 불가능한 feature임 # zero-sale period : 오늘까지 연속적으로 판매량이 0이였던 기간 sales_zero_period = np.zeros_like(target_values) sales_zero_period[:, 0] = 1 for i in range(1, 1969): sales_zero_period[:,i] = sales_zero_period[:, i-1] + 1 sales_zero_period[target_values[:,i]!=0, i] = 0 dynamic_past = np.expand_dims(sales_zero_period, 1) # 30490 * 1 * T return target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat, stat_cat_cardinalities def make_m5_dataset(m5_input_path="/data/m5", exclude_no_sales=False, ds_split=True, prediction_start=1942): # make features target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat, stat_cat_cardinalities = make_m5_features(m5_input_path) ################################# # ACCUMULATED TARGET # for online moving average caculation acc_target_values = np.cumsum(target_values, dtype=float, axis=1) ################################# # TARGET # This is for evaluation set # D1 ~ 1941: train , D1942 ~ 1969: test PREDICTION_START = 1942 # exclude no sale periods if exclude_no_sales: second_sale = get_second_sale_idx(target_values) second_sale = np.clip(second_sale, None, PREDICTION_START-28-1) else: second_sale = np.zeros(30490, dtype=np.int32) start_date = pd.Timestamp("2011-01-29", freq='1D') m5_dates = [start_date + pd.DateOffset(days=int(d)) for d in second_sale] ########################################################## # Mode 1886~ 1914~ 1942~ NaN 1969 # train / val | test if ds_split==True: # idx_train_end = PREDICTION_START - 1 # index from 0 idx_val_end = 1914 - 1 ### Train Set train_set = [ { FieldName.TARGET: target[first:idx_train_end], FieldName.START: start, FieldName.ACC_TARGET_SUM: acc_target[first:idx_train_end], FieldName.FEAT_DYNAMIC_REAL: fdr[...,first:idx_train_end], FieldName.FEAT_DYNAMIC_CAT: fdc[...,first:idx_train_end], FieldName.FEAT_DYNAMIC_PAST: fdp[...,first:idx_train_end], FieldName.FEAT_STATIC_REAL: None, FieldName.FEAT_STATIC_CAT: fsc } for i, (target, first, start, acc_target, fdr, fdc, fdp, fsc) in enumerate(zip(target_values, second_sale, m5_dates, acc_target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat)) ] #train_set = train_set[:20] train_ds = ListDataset(train_set, freq="D", shuffle=False) # reset to first day second_sale = np.zeros(30490, dtype=np.int32) m5_dates = [start_date + pd.DateOffset(days=int(d)) for d in second_sale] ### Validation Set val_set = [ { FieldName.TARGET: target[first:idx_val_end], FieldName.START: start, FieldName.ACC_TARGET_SUM: acc_target[first:idx_val_end], FieldName.FEAT_DYNAMIC_REAL: fdr[...,first:idx_val_end], FieldName.FEAT_DYNAMIC_CAT: fdc[...,first:idx_val_end], FieldName.FEAT_DYNAMIC_PAST: fdp[...,first:idx_val_end], FieldName.FEAT_STATIC_REAL: None, FieldName.FEAT_STATIC_CAT: fsc } for i, (target, first, start, acc_target, fdr, fdc, fdp, fsc) in enumerate(zip(target_values, second_sale, m5_dates, acc_target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat)) ] #val_set = val_set[:20] val_ds = ListDataset(val_set, freq="D") return train_ds, val_ds, stat_cat_cardinalities else: idx_end = prediction_start-1+28 ### Test Set test_set = [ { FieldName.TARGET: target[first:idx_end], FieldName.START: start, FieldName.ACC_TARGET_SUM: acc_target[first:idx_end], FieldName.FEAT_DYNAMIC_REAL: fdr[...,first:idx_end], FieldName.FEAT_DYNAMIC_CAT: fdc[...,first:idx_end], FieldName.FEAT_DYNAMIC_PAST: fdp[...,first:idx_end], FieldName.FEAT_STATIC_REAL: None, FieldName.FEAT_STATIC_CAT: fsc } for i, (target, first, start, acc_target, fdr, fdc, fdp, fsc) in enumerate(zip(target_values, second_sale, m5_dates, acc_target_values, dynamic_real, dynamic_cat, dynamic_past, stat_cat)) ] #test_set = test_set[:20] test_ds = ListDataset(test_set, freq="D") return test_ds
12,830
44.021053
153
py
M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/accuracy_evaluator.py
import numpy as np import pandas as pd from scipy.sparse import csr_matrix import gc import os from pprint import pprint from typing import Union from tqdm.notebook import tqdm_notebook as tqdm prediction_length = 28 # Memory reduction helper function: def reduce_mem_usage(df, verbose=True): numerics = ['int16', 'int32', 'int64', 'float16', 'float32', 'float64'] start_mem = df.memory_usage().sum() / 1024**2 for col in df.columns: #columns col_type = df[col].dtypes if col_type in numerics: #numerics c_min = df[col].min() c_max = df[col].max() if str(col_type)[:3] == 'int': if c_min > np.iinfo(np.int8).min and c_max < np.iinfo(np.int8).max: df[col] = df[col].astype(np.int8) elif c_min > np.iinfo(np.int16).min and c_max < np.iinfo(np.int16).max: df[col] = df[col].astype(np.int16) elif c_min > np.iinfo(np.int32).min and c_max < np.iinfo(np.int32).max: df[col] = df[col].astype(np.int32) elif c_min > np.iinfo(np.int64).min and c_max < np.iinfo(np.int64).max: df[col] = df[col].astype(np.int64) else: if c_min > np.finfo(np.float16).min and c_max < np.finfo(np.float16).max: df[col] = df[col].astype(np.float16) elif c_min > np.finfo(np.float32).min and c_max < np.finfo(np.float32).max: df[col] = df[col].astype(np.float32) else: df[col] = df[col].astype(np.float64) end_mem = df.memory_usage().sum() / 1024**2 if verbose: print('Mem. usage decreased to {:5.2f} Mb ({:.1f}% reduction)'.format(end_mem, 100 * (start_mem - end_mem) / start_mem)) return df # Fucntion to calculate S weights: def get_s(roll_mat_csr, sales, prediction_start): # Rollup sales: d_name = ['d_' + str(i) for i in range(1, prediction_start)] sales_train_val = roll_mat_csr * sales[d_name].values no_sales = np.cumsum(sales_train_val, axis=1) == 0 # Denominator of RMSSE / RMSSE diff = np.diff(sales_train_val,axis=1) diff = np.where(no_sales[:,1:], np.nan, diff) weight1 = np.nanmean(diff**2,axis=1) weight1[np.isnan(weight1)] = 1e-9 return weight1 # Functinon to calculate weights: def get_w(roll_mat_csr, sale_usd): """ """ # Calculate the total sales in USD for each item id: total_sales_usd = sale_usd.groupby( ['id'], sort=False)['sale_usd'].apply(np.sum).values # Roll up total sales by ids to higher levels: weight2 = roll_mat_csr * total_sales_usd return 12*weight2/np.sum(weight2) # weight2/(np.sum(weight2) / 12) : np.sum(weight2)은 모든 합의 12배임 # Function to do quick rollups: def rollup(roll_mat_csr, v): ''' v - np.array of size (30490 rows, n day columns) v_rolledup - array of size (n, 42840) ''' return roll_mat_csr*v #(v.T*roll_mat_csr.T).T # Function to calculate WRMSSE: def wrmsse(error, score_only, roll_mat_csr, s, w, sw): ''' preds - Predictions: pd.DataFrame of size (30490 rows, N day columns) y_true - True values: pd.DataFrame of size (30490 rows, N day columns) sequence_length - np.array of size (42840,) sales_weight - sales weights based on last 28 days: np.array (42840,) ''' if score_only: return np.sum( np.sqrt( np.mean( np.square(rollup(roll_mat_csr, error)) ,axis=1)) * sw)/12 #<-used to be mistake here else: score_matrix = (np.square(rollup(roll_mat_csr, error)) * np.square(w)[:, None])/ s[:, None] wrmsse_i = np.sqrt(np.mean(score_matrix,axis=1)) wrmsse_raw = np.sqrt(score_matrix) aggregation_count = [1, 3, 10, 3, 7, 9, 21, 30, 70, 3049, 9147, 30490] idx = 0 aggregated_wrmsse = np.zeros(12) aggregated_wrmsse_per_day = np.zeros([12, prediction_length]) for i, count in enumerate(aggregation_count): endIdx = idx+count aggregated_wrmsse[i] = wrmsse_i[idx:endIdx].sum() aggregated_wrmsse_per_day[i] = wrmsse_raw[idx:endIdx, :].sum(axis=0) idx = endIdx # score == aggregated_wrmsse.mean() wrmsse = np.sum(wrmsse_i)/12 #<-used to be mistake here return wrmsse, aggregated_wrmsse, aggregated_wrmsse_per_day, score_matrix def calculate_and_save_data(data_path, prediction_start): # Sales quantities: sales = pd.read_csv(data_path+'/sales_train_evaluation.csv') # Calendar to get week number to join sell prices: calendar = pd.read_csv(data_path+'/calendar.csv') calendar = reduce_mem_usage(calendar) # Sell prices to calculate sales in USD: sell_prices = pd.read_csv(data_path+'/sell_prices.csv') sell_prices = reduce_mem_usage(sell_prices) # Dataframe with only last 28 days: cols = ["d_{}".format(i) for i in range(prediction_start-28, prediction_start)] data = sales[["id", 'store_id', 'item_id'] + cols] # To long form: data = data.melt(id_vars=["id", 'store_id', 'item_id'], var_name="d", value_name="sale") # Add week of year column from 'calendar': data = pd.merge(data, calendar, how = 'left', left_on = ['d'], right_on = ['d']) data = data[["id", 'store_id', 'item_id', "sale", "d", "wm_yr_wk"]] # Add weekly price from 'sell_prices': data = data.merge(sell_prices, on = ['store_id', 'item_id', 'wm_yr_wk'], how = 'left') data.drop(columns = ['wm_yr_wk'], inplace=True) # Calculate daily sales in USD: data['sale_usd'] = data['sale'] * data['sell_price'] # List of categories combinations for aggregations as defined in docs: dummies_list = [sales.state_id, sales.store_id, sales.cat_id, sales.dept_id, sales.state_id +'_'+ sales.cat_id, sales.state_id +'_'+ sales.dept_id, sales.store_id +'_'+ sales.cat_id, sales.store_id +'_'+ sales.dept_id, sales.item_id, sales.state_id +'_'+ sales.item_id, sales.id] ## First element Level_0 aggregation 'all_sales': dummies_df_list =[pd.DataFrame(np.ones(sales.shape[0]).astype(np.int8), index=sales.index, columns=['all']).T] # List of dummy dataframes: for i, cats in enumerate(dummies_list): cat_dtype = pd.api.types.CategoricalDtype(categories=pd.unique(cats.values), ordered=True) ordered_cat = cats.astype(cat_dtype) dummies_df_list +=[pd.get_dummies(ordered_cat, drop_first=False, dtype=np.int8).T] #[1, 3, 10, 3, 7, 9, 21, 30, 70, 3049, 9147, 30490] # Concat dummy dataframes in one go: ## Level is constructed for free. roll_mat_df = pd.concat(dummies_df_list, keys=list(range(12)), names=['level','id'])#.astype(np.int8, copy=False) # Save values as sparse matrix & save index for future reference: roll_index = roll_mat_df.index roll_mat_csr = csr_matrix(roll_mat_df.values) roll_mat_csr.shape roll_mat_df.to_pickle(data_path + '/ordered_roll_mat_df.pkl') del dummies_df_list, roll_mat_df gc.collect() S = get_s(roll_mat_csr, sales, prediction_start) W = get_w(roll_mat_csr, data[['id','sale_usd']]) SW = W/np.sqrt(S) sw_df = pd.DataFrame(np.stack((S, W, SW), axis=-1),index = roll_index,columns=['s','w','sw']) sw_df.to_pickle(data_path + f'/ordered_sw_df_p{prediction_start}.pkl') return sales, S, W, SW, roll_mat_csr def load_precalculated_data(data_path, prediction_start): # Load S and W weights for WRMSSE calcualtions: if not os.path.exists(data_path+f'/ordered_sw_df_p{prediction_start}.pkl'): calculate_and_save_data(data_path, prediction_start) sw_df = pd.read_pickle(data_path+f'/ordered_sw_df_p{prediction_start}.pkl') S = sw_df.s.values W = sw_df.w.values SW = sw_df.sw.values # Load roll up matrix to calcualte aggreagates: roll_mat_df = pd.read_pickle(data_path+'/ordered_roll_mat_df.pkl') roll_index = roll_mat_df.index roll_mat_csr = csr_matrix(roll_mat_df.values) del roll_mat_df return S, W, SW, roll_mat_csr def evaluate_wrmsse(data_path, prediction, prediction_start, score_only=True): # Loading data in two ways: # if S, W, SW are calculated in advance, load from pickle files # otherwise, calculate from scratch if os.path.isfile(data_path + f'/ordered_sw_df_p{prediction_start}.pkl') and \ os.path.isfile(data_path + '/ordered_roll_mat_df.pkl'): print('load precalculated data') # Sales quantities: sales = pd.read_csv(data_path+'/sales_train_evaluation.csv') S, W, SW, roll_mat_csr = load_precalculated_data(data_path, prediction_start) else: print('load data from scratch') sales, S, W, SW, roll_mat_csr = calculate_and_save_data(data_path, prediction_start) # Ground truth: dayCols = ["d_{}".format(i) for i in range(prediction_start, prediction_start+prediction_length)] y_true = sales[dayCols] error = prediction - y_true.values results = wrmsse(error, score_only, roll_mat_csr, S, W, SW) return results class WRMSSEEvaluator(object): def __init__(self, data_path, prediction_start): # Load Dataset sales = pd.read_csv(data_path + 'sales_train_evaluation.csv') # append dummy for i in range(1942, 1970): sales[f"d_{i}"] = 0 calendar = pd.read_csv(data_path + 'calendar.csv', dtype={'wm_yr_wk': np.int32, 'wday': np.int32, 'month': np.int32, 'year': np.int32, 'snap_CA': np.int32, 'snap_TX': np.int32, 'snap_WI': np.int32}) prices = pd.read_csv(data_path + 'sell_prices.csv', dtype={'wm_yr_wk': np.int32, 'sell_price': np.float32}) prediction_start = prediction_start + 6 - 1 # num of heads train_df = sales.iloc[:, :prediction_start] valid_df = sales.iloc[:, prediction_start:prediction_start+prediction_length] # train_y = train_df.loc[:, train_df.columns.str.startswith('d_')] train_target_columns = train_y.columns.tolist() weight_columns = train_y.iloc[:, -28:].columns.tolist() train_df['all_id'] = 'all' # for lv1 aggregation id_columns = train_df.loc[:, ~train_df.columns.str.startswith('d_')]\ .columns.tolist() valid_target_columns = valid_df.loc[:, valid_df.columns.str.startswith('d_')]\ .columns.tolist() if not all([c in valid_df.columns for c in id_columns]): valid_df = pd.concat([train_df[id_columns], valid_df], axis=1, sort=False) self.train_df = train_df self.valid_df = valid_df self.calendar = calendar self.prices = prices self.weight_columns = weight_columns self.id_columns = id_columns self.valid_target_columns = valid_target_columns weight_df = self.get_weight_df() self.group_ids = ( 'all_id', 'state_id', 'store_id', 'cat_id', 'dept_id', ['state_id', 'cat_id'], ['state_id', 'dept_id'], ['store_id', 'cat_id'], ['store_id', 'dept_id'], 'item_id', ['item_id', 'state_id'], ['item_id', 'store_id'] ) for i, group_id in enumerate(tqdm(self.group_ids)): train_y = train_df.groupby(group_id)[train_target_columns].sum() scale = [] for _, row in train_y.iterrows(): series = row.values[np.argmax(row.values != 0):] scale.append(((series[1:] - series[:-1]) ** 2).mean()) setattr(self, f'lv{i + 1}_scale', np.array(scale)) setattr(self, f'lv{i + 1}_train_df', train_y) setattr(self, f'lv{i + 1}_valid_df', valid_df.groupby(group_id)\ [valid_target_columns].sum()) lv_weight = weight_df.groupby(group_id)[weight_columns].sum().sum(axis=1) setattr(self, f'lv{i + 1}_weight', lv_weight / lv_weight.sum()) def get_weight_df(self) -> pd.DataFrame: day_to_week = self.calendar.set_index('d')['wm_yr_wk'].to_dict() weight_df = self.train_df[['item_id', 'store_id'] + self.weight_columns]\ .set_index(['item_id', 'store_id']) weight_df = weight_df.stack().reset_index()\ .rename(columns={'level_2': 'd', 0: 'value'}) weight_df['wm_yr_wk'] = weight_df['d'].map(day_to_week) weight_df = weight_df.merge(self.prices, how='left', on=['item_id', 'store_id', 'wm_yr_wk']) weight_df['value'] = weight_df['value'] * weight_df['sell_price'] weight_df = weight_df.set_index(['item_id', 'store_id', 'd'])\ .unstack(level=2)['value']\ .loc[zip(self.train_df.item_id, self.train_df.store_id), :]\ .reset_index(drop=True) weight_df = pd.concat([self.train_df[self.id_columns], weight_df], axis=1, sort=False) return weight_df def rmsse(self, valid_preds: pd.DataFrame, lv: int) -> pd.Series: valid_y = getattr(self, f'lv{lv}_valid_df') score_raw = ((valid_y - valid_preds) ** 2) score = score_raw.mean(axis=1) scale = getattr(self, f'lv{lv}_scale') return (score / scale).map(np.sqrt), np.sqrt(score_raw / np.expand_dims(scale, 1)) def score(self, valid_preds: Union[pd.DataFrame, np.ndarray]) -> float: assert self.valid_df[self.valid_target_columns].shape \ == valid_preds.shape if isinstance(valid_preds, np.ndarray): valid_preds = pd.DataFrame(valid_preds, columns=self.valid_target_columns) valid_preds = pd.concat([self.valid_df[self.id_columns], valid_preds], axis=1, sort=False) all_scores = [] all_scores_day = np.zeros([12,28]) for i, group_id in enumerate(self.group_ids): valid_preds_grp = valid_preds.groupby(group_id)[self.valid_target_columns].sum() setattr(self, f'lv{i + 1}_valid_preds', valid_preds_grp) lv_rmsse, lv_rmsse_raw = self.rmsse(valid_preds_grp, i + 1) setattr(self, f'lv{i + 1}_rmsse', lv_rmsse) weight = getattr(self, f'lv{i + 1}_weight') lv_scores = pd.concat([weight, lv_rmsse], axis=1, sort=False).prod(axis=1) lv_scores_raw = lv_rmsse_raw * np.expand_dims(weight,1) lv_scores_raw = lv_scores_raw.sum(axis=0) all_scores.append(lv_scores.sum()) all_scores_day[i] = lv_scores_raw self.all_scores = all_scores self.all_scores_day = all_scores_day self.wrmsse = np.mean(all_scores) return self.wrmsse if __name__ == '__main__': DATA_DIR = '/data/m5/' PREDICTION_START = 1886 #1886:offline val, 1914:validation, 1942:evaluation prediction_pd = pd.read_csv('logs/m5/csv_test/submission_v1.csv') prediction = np.array(prediction_pd.values[:30490,1:], dtype=np.float32) # First Evaluator wrmsse, aggregated_wrmsse, _, _ = evaluate_wrmsse(data_path=DATA_DIR, prediction=prediction, prediction_start=PREDICTION_START, score_only=False) print('---------------------------------------------------') print('First Evaluator') print('WRMSSE:', wrmsse) for i, val in enumerate(aggregated_wrmsse): print(f'WRMSSE level #{i+1}: {val}') # Second Evaluator print('---------------------------------------------------') print('Second Evaluator') evaluator = WRMSSEEvaluator(data_path=DATA_DIR, prediction_start=PREDICTION_START) wrmsse2 = evaluator.score(prediction) print('WRMSSE:', wrmsse2) for i, val in enumerate(evaluator.all_scores): print(f'WRMSSE level #{i+1}: {val}') # Show difference print('---------------------------------------------------') print('Difference') print('WRMSSE diff:', wrmsse - wrmsse2) for i, val in enumerate(zip(aggregated_wrmsse, evaluator.all_scores)): print(f'WRMSSE level #{i+1}: {val[0] - val[1]}') ''' First Evaluator WRMSSE: 0.6539945520603164 WRMSSE level #1: 0.5264150554353765 WRMSSE level #2: 0.5840861168973064 WRMSSE level #3: 0.6257473379469497 WRMSSE level #4: 0.5463039489698954 WRMSSE level #5: 0.6173161892685839 WRMSSE level #6: 0.6024604778476885 WRMSSE level #7: 0.6600226507063979 WRMSSE level #8: 0.6515105177255677 WRMSSE level #9: 0.6978254036803149 WRMSSE level #10: 0.7706896289293005 WRMSSE level #11: 0.7848556693564849 WRMSSE level #12: 0.7807016279599293 '''
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/preprocessing.py
import numpy as np import pandas as pd import copy import os from pathlib import Path from utils import convert_price_file from accuracy_evaluator import calculate_and_save_data def main(m5_input_path): # make price file converted_price_file = Path(f'{m5_input_path}/converted_price_evaluation.csv') if not converted_price_file.exists(): convert_price_file(m5_input_path) converted_price = pd.read_csv(converted_price_file) # make rolling matrix for wrmsse _ = calculate_and_save_data(data_path=m5_input_path, prediction_start = 1942) # normalized sell prices normalized_price_file = Path(f'{m5_input_path}/normalized_price_evaluation.npz') if not normalized_price_file.exists(): # normalized sell prices per each item price_feature = converted_price.drop(["id","item_id","dept_id","cat_id","store_id","state_id"], axis=1).values price_mean_per_item = np.nanmean(price_feature, axis=1, keepdims=True) price_std_per_item = np.nanstd(price_feature, axis=1, keepdims=True) normalized_price_per_item = (price_feature - price_mean_per_item) / (price_std_per_item + 1e-6) # normalized sell prices per day within the same dept dept_groups = converted_price.groupby('dept_id') price_mean_per_dept = dept_groups.transform(np.nanmean) price_std_per_dept = dept_groups.transform(np.nanstd) normalized_price_per_group_pd = (converted_price[price_mean_per_dept.columns] - price_mean_per_dept) / (price_std_per_dept + 1e-6) normalized_price_per_group = normalized_price_per_group_pd.values np.savez(normalized_price_file, per_item = normalized_price_per_item, per_group = normalized_price_per_group) if __name__ == "__main__": import argparse parser = argparse.ArgumentParser() ###[Important argument] parser.add_argument( "--data_path", default='/data/m5' ) args = parser.parse_args() main(args.data_path)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/training.py
import time import torch import numpy as np import pandas as pd from tqdm import tqdm from pprint import pprint from pathlib import Path import logging import os from pts.model import Predictor from pts.model.deepar import DeepAREstimator from pts.modules import TweedieOutput from pts.trainer import Trainer from pts.core.logging import get_log_path, set_logger from load_dataset import make_m5_dataset from pts.feature.time_feature import * logger = logging.getLogger("mofl").getChild("training") prediction_length = 28 def get_rolled_deepAR_estimator(stat_cat_cardinalities, device, log_path): batch_size = 64 num_batches_per_epoch = 30490 // batch_size + 1 return DeepAREstimator( input_size=102, num_cells=120, prediction_length=prediction_length, dropout_rate=0.1, freq="D", time_features=[DayOfWeek(), DayOfMonth(), MonthOfYear(), WeekOfYear(), Year()], distr_output = TweedieOutput(1.2), lags_seq=[1], moving_avg_windows=[7, 28], scaling=False, use_feat_dynamic_real=True, use_feat_static_cat=True, use_feat_dynamic_cat=True, cardinality=stat_cat_cardinalities, dc_cardinality=[5, 5, 31, 31], #event_type1,2 / event_name1,2 dc_embedding_dimension=[2, 2, 15, 2], pick_incomplete=True, trainer=Trainer( learning_rate=1e-3, epochs=300, num_batches_per_epoch=num_batches_per_epoch, betas=(0.9, 0.98), use_lr_scheduler=True, lr_warmup_period=num_batches_per_epoch*5, batch_size=batch_size, device=device, log_path=log_path, num_workers=4, ) ) def get_estimator(model_name, stat_cat_cardinalities, device, base_log_path, full_log_path): estimator = globals()["get_" + model_name + "_estimator"](stat_cat_cardinalities, device, full_log_path) return estimator def main(args): # parameters comment = args.comment model_name = args.model data_path = args.data_path trial = args.trial # set default config device = torch.device("cuda" if torch.cuda.is_available() else "cpu") full_log_path, base_log_path, trial_path = get_log_path(f"m5_submission/{model_name}", comment, trial) # set logger set_logger(full_log_path) # make dataset train_ds, val_ds, stat_cat_cardinalities = make_m5_dataset(m5_input_path=data_path, exclude_no_sales=True) # get estimator logger.info(f"Using {model_name} model...") estimator = get_estimator(model_name, stat_cat_cardinalities, device, base_log_path, full_log_path) # path for trained model model_path = Path(full_log_path+"/trained_model") model_path.mkdir() # prediction predictor = estimator.train(train_ds, validation_period=10) # save model if args.save_model: logger.info(f"Save {model_name} model...") model_path = Path(full_log_path+"/predictor") model_path.mkdir() predictor.serialize(model_path) if __name__ == "__main__": import argparse parser = argparse.ArgumentParser() parser.add_argument( "--data_path", default='/data/m5' ) parser.add_argument( "--comment", type=str, default='drop1' ) parser.add_argument( "--trial", type=str, default='t0' ) args = parser.parse_args() args.save_model = True # always save model args.model = 'rolled_deepAR' main(args)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/utils.py
import numpy as np from pts.evaluation import Evaluator import accuracy_evaluator class M5Evaluator(Evaluator): def __init__(self, prediction_length, **kwargs): super().__init__(**kwargs) self.prediction_length = prediction_length def evaluate_wrmsse(self, prediction, prediction_start=1886, score_only=False, data_path='/data/m5'): return accuracy_evaluator.evaluate_wrmsse(data_path=data_path, prediction=prediction, prediction_start=prediction_start, score_only=score_only) def convert_price_file(m5_input_path): # 주 단위로 되어 있는 가격정보를 sales 데이터와 동일하게 각 아이템의 매일 가격정보를 나타내는 형태로 변환 import numpy as np import pandas as pd # load data calendar = pd.read_csv(f'{m5_input_path}/calendar.csv') sales_train_evaluation = pd.read_csv(f'{m5_input_path}/sales_train_evaluation.csv') sell_prices = pd.read_csv(f'{m5_input_path}/sell_prices.csv') # assign price for all days week_and_day = calendar[['wm_yr_wk', 'd']] price_all_days_items = pd.merge(week_and_day, sell_prices, on=['wm_yr_wk'], how='left') # join on week number price_all_days_items = price_all_days_items.drop(['wm_yr_wk'], axis=1) # convert days to column price_all_items = price_all_days_items.pivot_table(values='sell_price', index=['store_id', 'item_id'], columns='d') price_all_items.reset_index(drop=False, inplace=True) # reorder column price_all_items = price_all_items.reindex(['store_id','item_id'] + ['d_%d' % x for x in range(1,1969+1)], axis=1) sales_keys = ['id', 'item_id', 'dept_id', 'cat_id', 'store_id', 'state_id'] sales_keys_pd = sales_train_evaluation[sales_keys] # join with sales data price_converted = pd.merge(sales_keys_pd, price_all_items, on=['store_id','item_id'], how='left') # save file price_converted.to_csv(f'{m5_input_path}/converted_price_evaluation.csv', index=False)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/__init__.py
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/ensemble.py
import numpy as np import pandas as pd from glob import glob import os from tqdm import tqdm import logging from accuracy_evaluator import load_precalculated_data from pts.core.logging import get_log_path, set_logger logger = logging.getLogger("mofl").getChild("ensemble") class Ensembler(object): def __init__(self, data_path, base_path): self.base_path = base_path self.data_path = data_path # load data _, _, self.sw, self.roll_mat_csr = load_precalculated_data(data_path=data_path, prediction_start = 1942) self.sales_train_evaluation = pd.read_csv(f'{data_path}/sales_train_evaluation.csv') def wrmsse(self, error): return np.sum( np.sqrt( np.mean( np.square(self.roll_mat_csr * error), axis=1)) * self.sw)/12 def calc_wrmsse(self, prediction, prediction_start): dayCols = ["d_{}".format(i) for i in range(prediction_start, prediction_start+28)] y_true = self.sales_train_evaluation[dayCols] error = prediction - y_true.values return self.wrmsse(error) def calc_wrmsse_list(self, model_path, cv_path, corr_factor=1): wrmsse_list = [] for prediction_start in range(1914, 1522, -28): cv_file = os.path.join(self.base_path, model_path, cv_path, f'prediction_{prediction_start}.npy') prediction = np.load(cv_file) * corr_factor wrmsse_list.append(self.calc_wrmsse(prediction, prediction_start)) return wrmsse_list def load_all_predictions(self, model, choosed_epoch): all_predictions = [] for prediction_start in tqdm(range(1942, 1522, -28)): model_predictions = [] for model, epochs in zip(models, choosed_epoch): epoch_predictions = [] for epoch in epochs: cv_path = f'CV/train_net_{epoch}/' cv_file = os.path.join(self.base_path, model, cv_path, f'prediction_{prediction_start}.npy') prediction = np.load(cv_file) epoch_predictions.append(prediction) model_predictions.append(epoch_predictions) all_predictions.append(model_predictions) # all_predictions.shape : period * model * epoch * predictions return np.array(all_predictions) def get_topK_epochs(self, models, K=3): epoch_list = np.arange(200,300,10) choosed_epoch = [] ens_results = [] for model in tqdm(models): epoch_results = [] for epoch in epoch_list: cv_path = f'CV/train_net_{epoch}/' epoch_results.append(self.calc_wrmsse_list(model, cv_path)) epoch_results = np.array(epoch_results) # select top K epoch criteria = epoch_results.mean(axis=1) topK = sorted(list(zip(criteria, range(0,20))))[:K] topK = np.array(topK) topK_index = np.int32(topK[:,1]) # topK epoch index #topK_wrmsse = epoch_results[topK_index] # topK wrmsse list topK_epoch = epoch_list[topK_index] # ensemble best K epoch choosed_epoch.append(topK_epoch) return choosed_epoch def export_final_csv(self, prediction_1914, prediction_1942, result_path): sample_submission = pd.read_csv(f'{self.data_path}/sample_submission.csv') sample_submission.iloc[:30490,1:] = prediction_1914 sample_submission.iloc[30490:,1:] = prediction_1942 sample_submission.to_csv(result_path + '/submission_final.csv', index=False) if __name__ == "__main__": import argparse parser = argparse.ArgumentParser() parser.add_argument( "--data_path", default='/data/m5' ) parser.add_argument( "--comment", type=str, default='drop1' ) args = parser.parse_args() args.model = 'rolled_deepAR' # initialize base_path = 'logs/m5_submission/' model_path = args.model + '/' + args.comment ens = Ensembler(args.data_path, base_path) # set logger full_log_path = base_path + model_path set_logger(full_log_path, text_log_file='ensemble.log') # choose top-K epoch models = [model_path + '/' + f.name for f in os.scandir(base_path + model_path) if f.is_dir()] choosed_epoch = ens.get_topK_epochs(models) # logging logger.info(f"Selected Epochs...") for m,e in zip(models,choosed_epoch): logger.info(f"{m}: {e}") # get all predictions all_predictions = ens.load_all_predictions(models, choosed_epoch) # ensemble (mean of predictions) mean_predictions = np.mean(all_predictions, axis=(1,2)) # shape: period * (30490, 28) # check final wrmsse logger.info("Final WRMSSEs...") ensemble_wrmsse = [] mean_predictions_1914 = mean_predictions[1:] for p, prediction_start in enumerate(range(1914, 1522, -28)): prediction = mean_predictions_1914[p] wrmsse_val = ens.calc_wrmsse(prediction, prediction_start) ensemble_wrmsse.append(wrmsse_val) # logging logger.info(f"{prediction_start}: {wrmsse_val}") # export_final_csv prediction_1942 = mean_predictions[0] prediction_1914 = mean_predictions[1] ens.export_final_csv(prediction_1914, prediction_1942, result_path=full_log_path)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/examples/m5/make_predictions.py
import numpy as np import torch import os from tqdm import tqdm from pathlib import Path import logging from pts.core.logging import get_log_path from pts.model import Predictor from load_dataset import make_m5_dataset from pts.evaluation.backtest import make_evaluation_predictions, make_validation_data #test_start : Start index of the final possible data chunk. For example, for M5 dataset, correct value is 1942 TEST_START = 1942 PREDICTION_LEN = 28 def make_predictions(predictor, ds, num_samples=30, n_iter = 15, start_offset=0, log_path=None, show_progress=True): for i in tqdm(range(start_offset, n_iter+start_offset), disable=not show_progress): start_this = TEST_START - PREDICTION_LEN * i #make prediction forecast_it, ts_it = make_evaluation_predictions( dataset=make_validation_data(ds, val_start=start_this, val_start_final=TEST_START - PREDICTION_LEN), predictor=predictor, num_samples=100 if start_this==1942 else num_samples) forecasts = list(forecast_it) #[TODO] #is this loop necessary? prediction = np.zeros((len(forecasts), PREDICTION_LEN)) for n in range(len(forecasts)): prediction[n] = np.mean(forecasts[n].samples, axis=0) # save result if log_path is not None: np.save(log_path / f'prediction_{start_this}.npy', prediction) return prediction #return last prediction def run_prediction(args, trial_path, model_idx, ds, predictor): cv_log_path = Path(os.path.join(trial_path, 'CV', model_idx)) cv_log_path.mkdir(parents=True, exist_ok=True) # load trained model trained_model_path = Path(os.path.join(trial_path, 'trained_model')) predictor.prediction_net.load_state_dict(torch.load(trained_model_path / model_idx)) if args.bs is not None: predictor.batch_size = args.bs predictor.prediction_net.num_parallel_samples = args.n_par make_predictions(predictor, ds, num_samples=args.n_samples, log_path=cv_log_path) if __name__ == "__main__": import argparse parser = argparse.ArgumentParser() ###[Important argument] parser.add_argument( "--data_path", default='/data/m5' ) parser.add_argument( "--comment", type=str, default='drop1' ) parser.add_argument( "--trial", type=str, default='t0' ) ###[Important argument] parser.add_argument( "--bs", type=int, default=6400 ) parser.add_argument( "--n_par", default=30 ) parser.add_argument( "--n_samples", default=30 ) args = parser.parse_args() device = torch.device("cuda" if torch.cuda.is_available() else "cpu") # load model model_name = 'rolled_deepAR' trial_path, _, _ = get_log_path(f"m5_submission/{model_name}", log_comment=args.comment, trial=args.trial, mkdir=False) print(f"Make predictions for {trial_path}") pretrained_model_path = Path(os.path.join(trial_path, 'predictor')) if not pretrained_model_path.exists(): assert False, "Error: Pretrained model not exist!" predictor = Predictor.deserialize(pretrained_model_path, device) # load data test_ds = make_m5_dataset(m5_input_path=args.data_path, exclude_no_sales=False, ds_split=False, prediction_start=1942) # generate predictions for epoch in range(200,300,10): model_idx = f"train_net_{epoch}" run_prediction(args, trial_path, model_idx, test_ds, predictor)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/exception.py
def assert_pts(condition: bool, message: str, *args, **kwargs) -> None: if not condition: raise Exception(message.format(*args, **kwargs))
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/__init__.py
from pkgutil import extend_path from pkg_resources import get_distribution, DistributionNotFound from .exception import assert_pts from .trainer import Trainer __path__ = extend_path(__path__, __name__) # type: ignore try: __version__ = get_distribution(__name__).version except DistributionNotFound: __version__ = "0.0.0-unknown"
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/trainer.py
import time from typing import List, Optional, Tuple import logging import torch import torch.nn as nn from torch.optim.lr_scheduler import CosineAnnealingLR from warmup_scheduler import GradualWarmupScheduler from torch.utils.data import DataLoader from torch.utils.tensorboard import SummaryWriter from tqdm import tqdm from pts.core.component import validated import os logger = logging.getLogger("mofl").getChild("trainer") def count_parameters(model): return sum(p.numel() for p in model.parameters() if p.requires_grad) class Trainer: @validated() def __init__( self, epochs: int = 100, batch_size: int = 32, num_batches_per_epoch: int = 50, num_workers: int = 0, # TODO worker>0 causes performace drop if uses iterable dataset pin_memory: bool = False, learning_rate: float = 1e-3, weight_decay: float = 1e-6, betas: Tuple[float, float] = (0.9, 0.999), device: Optional[torch.device] = None, log_path: Optional[str] = None, use_lr_scheduler: bool = False, lr_warmup_period: int = 0, # num of iterations for warmup ) -> None: self.epochs = epochs self.batch_size = batch_size self.num_batches_per_epoch = num_batches_per_epoch self.learning_rate = learning_rate self.weight_decay = weight_decay self.betas = betas self.device = device self.num_workers = num_workers self.pin_memory = pin_memory self.log_path = log_path self.use_lr_scheduler = use_lr_scheduler self.lr_warmup_period = lr_warmup_period self.roll_mat_csr = None def __call__( self, net: nn.Module, input_names: List[str], training_data_loader: DataLoader, validation_period: int = 1 ) -> None: # loggin model size net_name = type(net).__name__ num_model_param = count_parameters(net) logger.info( f"Number of parameters in {net_name}: {num_model_param}" ) if torch.cuda.device_count() > 1: logger.info("Training with %d gpus..." % (torch.cuda.device_count())) net = nn.DataParallel(net) optimizer = torch.optim.Adam( net.parameters(), lr=self.learning_rate, weight_decay=self.weight_decay, betas=self.betas, #eps=1e-9, ) if self.use_lr_scheduler: total_iter = self.epochs * self.num_batches_per_epoch scheduler_cos = CosineAnnealingLR(optimizer, total_iter, eta_min=1e-6) scheduler = GradualWarmupScheduler(optimizer, multiplier=1, total_epoch=self.lr_warmup_period, after_scheduler=scheduler_cos) writer = SummaryWriter(log_dir=self.log_path) #writer.add_graph(net) def loop( epoch_no, data_loader, is_training: bool = True ) -> float: tic = time.time() avg_epoch_loss = 0.0 cumlated_sqerr = 0.0 total_seq = 0 errors = [] if is_training: net.train() else: net.eval() with tqdm(data_loader, total=float("inf"),disable=os.environ.get("DISABLE_TQDM", False)) as it: for batch_no, data_entry in enumerate(it, start=1): optimizer.zero_grad() inputs = [data_entry[k].to(self.device) for k in input_names] output = net(*inputs) if isinstance(output, (list, tuple)): loss = output[0] error = output[1] cumlated_sqerr += (error ** 2).sum() total_seq += len(inputs[0]) if not is_training: errors.append(error) else: loss = output loss = loss.sum() avg_epoch_loss += loss.item() lr = optimizer.param_groups[0]['lr'] it.set_postfix( ordered_dict={ "lr": lr, ("" if is_training else "validation_") + "avg_epoch_loss": avg_epoch_loss / batch_no, "epoch": epoch_no, }, refresh=False, ) n_iter = epoch_no*self.num_batches_per_epoch + batch_no if n_iter % 20 == 0: if is_training: writer.add_scalar('Loss/train', loss.item(), n_iter) writer.add_scalar('Learning rate', lr, n_iter) else: writer.add_scalar('Loss/validation', loss.item(), n_iter) if is_training: loss.backward() optimizer.step() if self.use_lr_scheduler: scheduler.step() if self.num_batches_per_epoch == batch_no: #for name, param in net.named_parameters(): # writer.add_histogram(name, param.clone().cpu().data.numpy(), n_iter) break # mark epoch end time and log time cost of current epoch toc = time.time() # logging '''logger.info( "Epoch[%d] Elapsed time %.3f seconds", epoch_no, (toc - tic), )''' lv = avg_epoch_loss / batch_no logger.info( "Epoch[%d] Evaluation metric '%s'=%f", epoch_no, ("" if is_training else "validation_") + "epoch_loss", lv, ) writer.add_scalar('Loss_epoch/' + ("train" if is_training else "validation") , lv, epoch_no) if total_seq != 0: writer.add_scalar('MSE_epoch/' + ("train" if is_training else "validation") , cumlated_sqerr / total_seq, epoch_no) return lv for epoch_no in range(self.epochs): # training epoch_loss = loop(epoch_no, training_data_loader) if epoch_no % validation_period == 0 and epoch_no != 0: # save model torch.save(net.state_dict(), f"{self.log_path}/trained_model/train_net_{epoch_no}") writer.close()
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M5_Accuracy_3rd-master/pts/feature/lag.py
# Copyright 2018 Amazon.com, Inc. or its affiliates. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"). # You may not use this file except in compliance with the License. # A copy of the License is located at # # http://www.apache.org/licenses/LICENSE-2.0 # # or in the "license" file accompanying this file. This file is distributed # on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either # express or implied. See the License for the specific language governing # permissions and limitations under the License. # Standard library imports from typing import List, Optional # Third-party imports import numpy as np from pandas.tseries.frequencies import to_offset from .utils import get_granularity def _make_lags(middle: int, delta: int) -> np.ndarray: """ Create a set of lags around a middle point including +/- delta """ return np.arange(middle - delta, middle + delta + 1).tolist() def get_lags_for_frequency( freq_str: str, lag_ub: int = 1200, num_lags: Optional[int] = None ) -> List[int]: """ Generates a list of lags that that are appropriate for the given frequency string. By default all frequencies have the following lags: [1, 2, 3, 4, 5, 6, 7]. Remaining lags correspond to the same `season` (+/- `delta`) in previous `k` cycles. Here `delta` and `k` are chosen according to the existing code. Parameters ---------- freq_str Frequency string of the form [multiple][granularity] such as "12H", "5min", "1D" etc. lag_ub The maximum value for a lag. num_lags Maximum number of lags; by default all generated lags are returned """ # Lags are target values at the same `season` (+/- delta) but in the previous cycle. def _make_lags_for_minute(multiple, num_cycles=3): # We use previous ``num_cycles`` hours to generate lags return [_make_lags(k * 60 // multiple, 2) for k in range(1, num_cycles + 1)] def _make_lags_for_hour(multiple, num_cycles=7): # We use previous ``num_cycles`` days to generate lags return [_make_lags(k * 24 // multiple, 1) for k in range(1, num_cycles + 1)] def _make_lags_for_day(multiple, num_cycles=4): # We use previous ``num_cycles`` weeks to generate lags # We use the last month (in addition to 4 weeks) to generate lag. return [_make_lags(k * 7 // multiple, 1) for k in range(1, num_cycles + 1)] + [ _make_lags(30 // multiple, 1) ] def _make_lags_for_week(multiple, num_cycles=3): # We use previous ``num_cycles`` years to generate lags # Additionally, we use previous 4, 8, 12 weeks return [_make_lags(k * 52 // multiple, 1) for k in range(1, num_cycles + 1)] + [ [4 // multiple, 8 // multiple, 12 // multiple] ] def _make_lags_for_month(multiple, num_cycles=3): # We use previous ``num_cycles`` years to generate lags return [_make_lags(k * 12 // multiple, 1) for k in range(1, num_cycles + 1)] # multiple, granularity = get_granularity(freq_str) offset = to_offset(freq_str) if offset.name == "M": lags = _make_lags_for_month(offset.n) elif offset.name == "W-SUN" or offset.name == "W-MON": lags = _make_lags_for_week(offset.n) elif offset.name == "D": lags = _make_lags_for_day(offset.n) + _make_lags_for_week(offset.n / 7.0) elif offset.name == "B": # todo find good lags for business day lags = [] elif offset.name == "H": lags = ( _make_lags_for_hour(offset.n) + _make_lags_for_day(offset.n / 24.0) + _make_lags_for_week(offset.n / (24.0 * 7)) ) # minutes elif offset.name == "T": lags = ( _make_lags_for_minute(offset.n) + _make_lags_for_hour(offset.n / 60.0) + _make_lags_for_day(offset.n / (60.0 * 24)) + _make_lags_for_week(offset.n / (60.0 * 24 * 7)) ) else: raise Exception("invalid frequency") # flatten lags list and filter lags = [int(lag) for sub_list in lags for lag in sub_list if 7 < lag <= lag_ub] lags = [1, 2, 3, 4, 5, 6, 7] + sorted(list(set(lags))) return lags[:num_lags] def get_fourier_lags_for_frequency(freq_str: str, num_lags: Optional[int] = None) -> List[int]: offset = to_offset(freq_str) granularity = offset.name if granularity == "M": lags = [[1, 12]] elif granularity == "D": lags = [[1, 7, 14]] elif granularity == "B": lags = [[1, 2]] elif granularity == "H": lags = [[1, 24, 168]] elif granularity == "min": lags = [[1, 4, 12, 24, 48]] else: lags = [[1]] # use less lags output_lags = list([int(lag) for sub_list in lags for lag in sub_list]) output_lags = sorted(list(set(output_lags))) return output_lags[:num_lags]
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/feature/utils.py
import re from functools import lru_cache from typing import Tuple def get_granularity(freq_str: str) -> Tuple[int, str]: """ Splits a frequency string such as "7D" into the multiple 7 and the base granularity "D". Parameters ---------- freq_str Frequency string of the form [multiple][granularity] such as "12H", "5min", "1D" etc. """ freq_regex = r"\s*((\d+)?)\s*([^\d]\w*)" m = re.match(freq_regex, freq_str) assert m is not None, "Cannot parse frequency string: %s" % freq_str groups = m.groups() multiple = int(groups[1]) if groups[1] is not None else 1 granularity = groups[2] return multiple, granularity @lru_cache() def get_seasonality(freq: str) -> int: """ Returns the default seasonality for a given freq str. E.g. for 2H -> 12 """ match = re.match(r"(\d*)(\w+)", freq) assert match, "Cannot match freq regex" mult, base_freq = match.groups() multiple = int(mult) if mult else 1 seasonalities = {"H": 24, "D": 1, "W": 1, "M": 12, "B": 5} if base_freq in seasonalities: seasonality = seasonalities[base_freq] else: seasonality = 1 if seasonality % multiple != 0: # logging.warning( # f"multiple {multiple} does not divide base " # f"seasonality {seasonality}." # f"Falling back to seasonality 1" # ) return 1 return seasonality // multiple
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/feature/holiday.py
# Copyright 2018 Amazon.com, Inc. or its affiliates. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"). # You may not use this file except in compliance with the License. # A copy of the License is located at # # http://www.apache.org/licenses/LICENSE-2.0 # # or in the "license" file accompanying this file. This file is distributed # on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either # express or implied. See the License for the specific language governing # permissions and limitations under the License. from typing import List, Callable import numpy as np import pandas as pd from pandas.tseries.holiday import ( TH, SU, EasterMonday, GoodFriday, Holiday, USColumbusDay, USLaborDay, USMartinLutherKingJr, USMemorialDay, USPresidentsDay, USThanksgivingDay, ) from pandas.tseries.offsets import DateOffset, Day, Easter # This is 183 to cover half a year (in both directions), also for leap years # plus a week and a half to cover holidays offset by a week e.g. easter etc MAX_WINDOW = 192 def distance_to_holiday(holiday): def distance_to_day(index): holiday_date = holiday.dates( index - pd.Timedelta(days=MAX_WINDOW), index + pd.Timedelta(days=MAX_WINDOW), ) assert ( len(holiday_date) != 0 ), f"No closest holiday for the date index {index} found." # It sometimes returns two dates if it is exactly half a year after the # holiday. In this case, the smaller distance (182 days) is returned. return (index - holiday_date[0]).days return distance_to_day EasterSunday = Holiday("Easter Sunday", month=1, day=1, offset=[Easter(), Day(0)]) NewYearsDay = Holiday("New Years Day", month=1, day=1) SuperBowl = Holiday("Superbowl", month=2, day=1, offset=DateOffset(weekday=SU(1))) MothersDay = Holiday("Mothers Day", month=5, day=1, offset=DateOffset(weekday=SU(2))) IndependenceDay = Holiday("Independence Day", month=7, day=4) ChristmasEve = Holiday("Christmas", month=12, day=24) ChristmasDay = Holiday("Christmas", month=12, day=25) NewYearsEve = Holiday("New Years Eve", month=12, day=31) BlackFriday = Holiday( "Black Friday", month=11, day=1, offset=[pd.DateOffset(weekday=TH(4)), Day(1)] ) CyberMonday = Holiday( "Cyber Monday", month=11, day=1, offset=[pd.DateOffset(weekday=TH(4)), Day(4)], ) NEW_YEARS_DAY = "new_years_day" MARTIN_LUTHER_KING_DAY = "martin_luther_king_day" SUPERBOWL = "superbowl" PRESIDENTS_DAY = "presidents_day" GOOD_FRIDAY = "good_friday" EASTER_SUNDAY = "easter_sunday" EASTER_MONDAY = "easter_monday" MOTHERS_DAY = "mothers_day" INDEPENDENCE_DAY = "independence_day" LABOR_DAY = "labor_day" MEMORIAL_DAY = "memorial_day" COLUMBUS_DAY = "columbus_day" THANKSGIVING = "thanksgiving" CHRISTMAS_EVE = "christmas_eve" CHRISTMAS_DAY = "christmas_day" NEW_YEARS_EVE = "new_years_eve" BLACK_FRIDAY = "black_friday" CYBER_MONDAY = "cyber_monday" SPECIAL_DATE_FEATURES = { NEW_YEARS_DAY: distance_to_holiday(NewYearsDay), MARTIN_LUTHER_KING_DAY: distance_to_holiday(USMartinLutherKingJr), SUPERBOWL: distance_to_holiday(SuperBowl), PRESIDENTS_DAY: distance_to_holiday(USPresidentsDay), GOOD_FRIDAY: distance_to_holiday(GoodFriday), EASTER_SUNDAY: distance_to_holiday(EasterSunday), EASTER_MONDAY: distance_to_holiday(EasterMonday), MOTHERS_DAY: distance_to_holiday(MothersDay), INDEPENDENCE_DAY: distance_to_holiday(IndependenceDay), LABOR_DAY: distance_to_holiday(USLaborDay), MEMORIAL_DAY: distance_to_holiday(USMemorialDay), COLUMBUS_DAY: distance_to_holiday(USColumbusDay), THANKSGIVING: distance_to_holiday(USThanksgivingDay), CHRISTMAS_EVE: distance_to_holiday(ChristmasEve), CHRISTMAS_DAY: distance_to_holiday(ChristmasDay), NEW_YEARS_EVE: distance_to_holiday(NewYearsEve), BLACK_FRIDAY: distance_to_holiday(BlackFriday), CYBER_MONDAY: distance_to_holiday(CyberMonday), } # Kernel functions def indicator(distance): return float(distance == 0) def exponential_kernel(alpha=1.0, tol=1e-9): def kernel(distance): kernel_value = np.exp(-alpha * np.abs(distance)) if kernel_value > tol: return kernel_value else: return 0.0 return kernel def squared_exponential_kernel(alpha=1.0, tol=1e-9): def kernel(distance): kernel_value = np.exp(-alpha * np.abs(distance) ** 2) if kernel_value > tol: return kernel_value else: return 0.0 return kernel class SpecialDateFeatureSet: """ Implements calculation of holiday features. The SpecialDateFeatureSet is applied on a pandas Series with Datetimeindex and returns a 2D array of the shape (len(dates), num_features), where num_features are the number of holidays. Note that for lower than daily granularity the distance to the holiday is still computed on a per-day basis. Example use: >>> from gluonts.time_feature.holiday import ( ... squared_exponential_kernel, ... SpecialDateFeatureSet, ... CHRISTMAS_DAY, ... CHRISTMAS_EVE ... ) >>> import pandas as pd >>> sfs = SpecialDateFeatureSet([CHRISTMAS_EVE, CHRISTMAS_DAY]) >>> date_indices = pd.date_range( ... start="2016-12-24", ... end="2016-12-31", ... freq='D' ... ) >>> sfs(date_indices) array([[1., 0., 0., 0., 0., 0., 0., 0.], [0., 1., 0., 0., 0., 0., 0., 0.]]) Example use for using a squared exponential kernel: >>> kernel = squared_exponential_kernel(alpha=1.0) >>> sfs = SpecialDateFeatureSet([CHRISTMAS_EVE, CHRISTMAS_DAY], kernel) >>> sfs(date_indices) array([[1.00000000e+00, 3.67879441e-01, 1.83156389e-02, 1.23409804e-04, 1.12535175e-07, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00], [3.67879441e-01, 1.00000000e+00, 3.67879441e-01, 1.83156389e-02, 1.23409804e-04, 1.12535175e-07, 0.00000000e+00, 0.00000000e+00]]) """ def __init__( self, feature_names: List[str], kernel_function: Callable[[int], int] = indicator, ): """ Parameters ---------- feature_names list of strings with holiday names for which features should be created. kernel_function kernel function to pass the feature value based on distance in days. Can be indicator function (default), exponential_kernel, squared_exponential_kernel or user defined. """ self.feature_names = feature_names self.num_features = len(feature_names) self.kernel_function = kernel_function def __call__(self, dates): """ Transform a pandas series with timestamps to holiday features. Parameters ---------- dates Pandas series with Datetimeindex timestamps. """ return np.vstack( [ np.hstack( [ self.kernel_function(SPECIAL_DATE_FEATURES[feat_name](index)) for index in dates ] ) for feat_name in self.feature_names ] )
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/feature/__init__.py
from .holiday import SPECIAL_DATE_FEATURES, SpecialDateFeatureSet from .lag import get_lags_for_frequency, get_fourier_lags_for_frequency from .time_feature import ( DayOfMonth, DayOfWeek, DayOfYear, HourOfDay, MinuteOfHour, MonthOfYear, TimeFeature, WeekOfYear, FourierDateFeatures, time_features_from_frequency_str, fourier_time_features_from_frequency_str, ) from .utils import get_granularity, get_seasonality
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M5_Accuracy_3rd-master/pts/feature/time_feature.py
from abc import ABC, abstractmethod from typing import List import numpy as np import pandas as pd from pandas.tseries.frequencies import to_offset from pts.core.component import validated from .utils import get_granularity class TimeFeature(ABC): @validated() def __init__(self, normalized: bool = True): self.normalized = normalized @abstractmethod def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: pass class MinuteOfHour(TimeFeature): """ Minute of hour encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return index.minute / 59.0 - 0.5 else: return index.minute.map(float) class HourOfDay(TimeFeature): """ Hour of day encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return index.hour / 23.0 - 0.5 else: return index.hour.map(float) class DayOfWeek(TimeFeature): """ Hour of day encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return index.dayofweek / 6.0 - 0.5 else: return index.dayofweek.map(float) class DayOfMonth(TimeFeature): """ Day of month encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return (index.day - 1) / 30.0 - 0.5 # day: 1~31 else: return index.day.map(float) class DayOfYear(TimeFeature): """ Day of year encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return (index.dayofyear - 1) / 364.0 - 0.5 # dayofyear: 1~365 else: return index.dayofyear.map(float) class MonthOfYear(TimeFeature): """ Month of year encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return (index.month - 1) / 11.0 - 0.5 # month: 1~12 else: return index.month.map(float) class Year(TimeFeature): """ year encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return (index.year - 2014) / 5.0 #TODO else: return index.year.map(float) class WeekOfYear(TimeFeature): """ Week of year encoded as value between [-0.5, 0.5] """ def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: if self.normalized: return (index.weekofyear -1) / 51.0 - 0.5 # weekofyear: 1~52 else: return index.weekofyear.map(float) class FourierDateFeatures(TimeFeature): @validated() def __init__(self, freq: str) -> None: super().__init__() # reoccurring freq freqs = [ "month", "day", "hour", "minute", "weekofyear", "weekday", "dayofweek", "dayofyear", "daysinmonth", ] assert freq in freqs self.freq = freq def __call__(self, index: pd.DatetimeIndex) -> np.ndarray: values = getattr(index, self.freq) num_values = max(values) + 1 steps = [x * 2.0 * np.pi / num_values for x in values] return np.vstack([np.cos(steps), np.sin(steps)]) def time_features_from_frequency_str(freq_str: str) -> List[TimeFeature]: """ Returns a list of time features that will be appropriate for the given frequency string. Parameters ---------- freq_str Frequency string of the form [multiple][granularity] such as "12H", "5min", "1D" etc. """ _, granularity = get_granularity(freq_str) if granularity == "M": feature_classes = [MonthOfYear] elif granularity == "W": feature_classes = [DayOfMonth, WeekOfYear] elif granularity in ["D", "B"]: feature_classes = [DayOfWeek, DayOfMonth, DayOfYear] elif granularity == "H": feature_classes = [HourOfDay, DayOfWeek, DayOfMonth, DayOfYear] elif granularity in ["min", "T"]: feature_classes = [MinuteOfHour, HourOfDay, DayOfWeek, DayOfMonth, DayOfYear] else: supported_freq_msg = f""" Unsupported frequency {freq_str} The following frequencies are supported: M - monthly W - week D - daily H - hourly min - minutely """ raise RuntimeError(supported_freq_msg) return [cls() for cls in feature_classes] def fourier_time_features_from_frequency_str(freq_str: str) -> List[TimeFeature]: offset = to_offset(freq_str) granularity = offset.name features = { "M": ["weekofyear"], "W-SUN": ["daysinmonth", "weekofyear"], "W-MON": ["daysinmonth", "weekofyear"], "D": ["dayofweek"], "B": ["dayofweek", "dayofyear"], "H": ["hour", "dayofweek"], "min": ["minute", "hour", "dayofweek"], "T": ["minute", "hour", "dayofweek"], } assert granularity in features, f"freq {granularity} not supported" feature_classes: List[TimeFeature] = [ FourierDateFeatures(freq=freq) for freq in features[granularity] ] return feature_classes
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/modules/scaler.py
from abc import ABC, abstractmethod from typing import Tuple import torch import torch.nn as nn class Scaler(ABC, nn.Module): def __init__(self, keepdim: bool = False): super().__init__() self.keepdim = keepdim @abstractmethod def compute_scale( self, data: torch.Tensor, observed_indicator: torch.Tensor ) -> torch.Tensor: pass def forward( self, data: torch.Tensor, observed_indicator: torch.Tensor ) -> Tuple[torch.Tensor, torch.Tensor]: """ Parameters ---------- data tensor of shape (N, T, C) containing the data to be scaled observed_indicator observed_indicator: binary tensor with the same shape as ``data``, that has 1 in correspondence of observed data points, and 0 in correspondence of missing data points. Returns ------- Tensor Tensor containing the "scaled" data, shape: (N, T, C). Tensor Tensor containing the scale, of shape (N, C) if ``keepdim == False``, and shape (N, 1, C) if ``keepdim == True``. """ scale = self.compute_scale(data, observed_indicator) if self.keepdim: scale = scale.unsqueeze(1) return data / scale, scale else: return data / scale.unsqueeze(1), scale class MeanScaler(Scaler): """ The ``MeanScaler`` computes a per-item scale according to the average absolute value over time of each item. The average is computed only among the observed values in the data tensor, as indicated by the second argument. Items with no observed data are assigned a scale based on the global average. Parameters ---------- minimum_scale default scale that is used if the time series has only zeros. """ def __init__(self, minimum_scale: float = 1e-10, *args, **kwargs): super().__init__(*args, **kwargs) self.register_buffer("minimum_scale", torch.tensor(minimum_scale)) def compute_scale( self, data: torch.Tensor, observed_indicator: torch.Tensor ) -> torch.Tensor: # these will have shape (N, C) num_observed = observed_indicator.sum(dim=1) sum_observed = (data.abs() * observed_indicator).sum(dim=1) # first compute a global scale per-dimension total_observed = num_observed.sum(dim=0) denominator = torch.max(total_observed, torch.ones_like(total_observed)) default_scale = sum_observed.sum(dim=0) / denominator # then compute a per-item, per-dimension scale denominator = torch.max(num_observed, torch.ones_like(num_observed)) scale = sum_observed / denominator # use per-batch scale when no element is observed # or when the sequence contains only zeros scale = torch.where( sum_observed > torch.zeros_like(sum_observed), scale, default_scale * torch.ones_like(num_observed), ) return torch.max(scale, self.minimum_scale).detach() class NOPScaler(Scaler): """ The ``NOPScaler`` assigns a scale equals to 1 to each input item, i.e., no scaling is applied upon calling the ``NOPScaler``. """ def __init__(self, *args, **kwargs): super().__init__(*args, **kwargs) def compute_scale( self, data: torch.Tensor, observed_indicator: torch.Tensor ) -> torch.Tensor: return torch.ones_like(data).mean(dim=1)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/modules/lambda_layer.py
import torch.nn as nn class LambdaLayer(nn.Module): def __init__(self, function): super().__init__() self._func = function def forward(self, x, *args): return self._func(x, *args)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/modules/distribution_output.py
from abc import ABC, abstractmethod from typing import Callable, Dict, Optional, Tuple import numpy as np import torch import torch.nn as nn import torch.nn.functional as F from torch.distributions import ( Distribution, Beta, NegativeBinomial, StudentT, Normal, Independent, LowRankMultivariateNormal, MultivariateNormal, TransformedDistribution, AffineTransform, Poisson ) from pts.core.component import validated from .lambda_layer import LambdaLayer from .distribution import ConstantDistribution, Tweedie class ArgProj(nn.Module): def __init__( self, in_features: int, args_dim: Dict[str, int], domain_map: Callable[..., Tuple[torch.Tensor]], dtype: np.dtype = np.float32, prefix: Optional[str] = None, **kwargs, ): super().__init__(**kwargs) self.args_dim = args_dim self.dtype = dtype self.projection = (in_features != 0) if self.projection: self.proj = nn.ModuleList( [nn.Linear(in_features, dim) for dim in args_dim.values()] ) self.domain_map = domain_map def forward(self, x: torch.Tensor) -> Tuple[torch.Tensor]: if self.projection: params_unbounded = [proj(x) for proj in self.proj] else: params_unbounded = [x] return self.domain_map(*params_unbounded) class Output(ABC): in_features: int args_dim: Dict[str, int] _dtype: np.dtype = np.float32 @property def dtype(self): return self._dtype @dtype.setter def dtype(self, dtype: np.dtype): self._dtype = dtype def get_args_proj(self, in_features: int, prefix: Optional[str] = None) -> ArgProj: return ArgProj( in_features=in_features, args_dim=self.args_dim, domain_map=LambdaLayer(self.domain_map), prefix=prefix, dtype=self.dtype, ) @abstractmethod def domain_map(self, *args: torch.Tensor): pass class DistributionOutput(Output, ABC): distr_cls: type @validated() def __init__(self) -> None: pass def distribution( self, distr_args, scale: Optional[torch.Tensor] = None ) -> Distribution: if scale is None: return self.distr_cls(*distr_args) else: distr = self.distr_cls(*distr_args) return TransformedDistribution(distr, [AffineTransform(loc=0, scale=scale)]) class NormalOutput(DistributionOutput): args_dim: Dict[str, int] = {"loc": 1, "scale": 1} distr_cls: type = Normal @classmethod def domain_map(self, loc, scale): scale = F.softplus(scale) return loc.squeeze(-1), scale.squeeze(-1) @property def event_shape(self) -> Tuple: return () class BetaOutput(DistributionOutput): args_dim: Dict[str, int] = {"concentration1": 1, "concentration0": 1} distr_cls: type = Beta @classmethod def domain_map(cls, concentration1, concentration0): concentration1 = F.softplus(concentration1) + 1e-8 concentration0 = F.softplus(concentration0) + 1e-8 return concentration1.squeeze(-1), concentration0.squeeze(-1) @property def event_shape(self) -> Tuple: return () class TweedieOutput(DistributionOutput): args_dim: Dict[str, int] = {"log_mu": 1, "rho": 1} #, "dispersion": 1} TODO: add dispersion @validated() def __init__(self, tweedie_power=1.5) -> None: # rho : tweedie_variance_power (1 ~ 2) self.tweedie_power = tweedie_power def domain_map(self, log_mu, rho): rho = self.tweedie_power * torch.ones_like(log_mu) return log_mu.squeeze(-1), rho.squeeze(-1) def distribution( self, distr_args, scale: Optional[torch.Tensor] = None ) -> Distribution: log_mu, rho = distr_args if scale is not None: log_mu += torch.log(scale) # TODO : rho scaling return Tweedie(log_mu, rho) @property def event_shape(self) -> Tuple: return () class NegativeBinomialOutput(DistributionOutput): args_dim: Dict[str, int] = {"mu": 1, "alpha": 1} @classmethod def domain_map(cls, mu, alpha): mu = F.softplus(mu) + 1e-8 alpha = F.softplus(alpha) + 1e-8 # alpha = 1/r return mu.squeeze(-1), alpha.squeeze(-1) def distribution( self, distr_args, scale: Optional[torch.Tensor] = None ) -> Distribution: mu, alpha = distr_args if scale is not None: mu *= scale alpha /= scale # FIXME: wrong calculation #alpha += (scale - 1) / mu # TODO: if scale < 1, alpha can be negative #alpha = alpha.clamp(min=1e-8) r = 1.0 / alpha p = mu * alpha / (1.0 + mu * alpha) # p = mu / (r+mu) return NegativeBinomial(total_count=r, probs=p) @property def event_shape(self) -> Tuple: return () class StudentTOutput(DistributionOutput): args_dim: Dict[str, int] = {"df": 1, "loc": 1, "scale": 1} distr_cls: type = StudentT @classmethod def domain_map(cls, df, loc, scale): scale = F.softplus(scale) df = 2.0 + F.softplus(df) return df.squeeze(-1), loc.squeeze(-1), scale.squeeze(-1) @property def event_shape(self) -> Tuple: return () class LowRankMultivariateNormalOutput(DistributionOutput): def __init__( self, dim: int, rank: int, sigma_init: float = 1.0, sigma_minimum: float = 1e-3, ) -> None: self.distr_cls = LowRankMultivariateNormal self.dim = dim self.rank = rank self.sigma_init = sigma_init self.sigma_minimum = sigma_minimum self.args_dim = {"loc": dim, "cov_factor": dim * rank, "cov_diag": dim} def domain_map(self, loc, cov_factor, cov_diag): diag_bias = ( self.inv_softplus(self.sigma_init ** 2) if self.sigma_init > 0.0 else 0.0 ) shape = cov_factor.shape[:-1] + (self.dim, self.rank) cov_factor = cov_factor.reshape(shape) cov_diag = F.softplus(cov_diag + diag_bias) + self.sigma_minimum ** 2 return loc, cov_factor, cov_diag def inv_softplus(self, y): if y < 20.0: return np.log(np.exp(y) - 1.0) else: return y @property def event_shape(self) -> Tuple: return (self.dim,) class IndependentNormalOutput(DistributionOutput): def __init__(self, dim: int) -> None: self.dim = dim self.args_dim = {"loc": self.dim, "scale": self.dim} def domain_map(self, loc, scale): return loc, F.softplus(scale) @property def event_shape(self) -> Tuple: return (self.dim,) def distribution( self, distr_args, scale: Optional[torch.Tensor] = None ) -> Distribution: distr = Independent(Normal(*distr_args), 1) if scale is None: return distr else: return TransformedDistribution(distr, [AffineTransform(loc=0, scale=scale)]) class MultivariateNormalOutput(DistributionOutput): def __init__(self, dim: int) -> None: self.args_dim = {"loc": dim, "scale_tril": dim * dim} self.dim = dim def domain_map(self, loc, scale): d = self.dim device = scale.device shape = scale.shape[:-1] + (d, d) scale = scale.reshape(shape) scale_diag = F.softplus(scale * torch.eye(d, device=device)) * torch.eye( d, device=device ) mask = torch.tril(torch.ones_like(scale), diagonal=-1) scale_tril = (scale * mask) + scale_diag return loc, scale_tril def distribution( self, distr_args, scale: Optional[torch.Tensor] = None ) -> Distribution: loc, scale_tri = distr_args distr = MultivariateNormal(loc=loc, scale_tril=scale_tri) if scale is None: return distr else: return TransformedDistribution(distr, [AffineTransform(loc=0, scale=scale)]) @property def event_shape(self) -> Tuple: return (self.dim,) class FlowOutput(DistributionOutput): def __init__(self, flow, input_size, cond_size): self.args_dim = {"cond": cond_size} self.flow = flow self.dim = input_size def domain_map(self, cond): return (cond,) def distribution(self, distr_args, scale=None): cond, = distr_args if scale is not None: self.flow.scale = scale self.flow.cond = cond return self.flow @property def event_shape(self) -> Tuple: return (self.dim,)
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M5_Accuracy_3rd
M5_Accuracy_3rd-master/pts/modules/__init__.py
from .distribution_output import ( ArgProj, Output, DistributionOutput, NormalOutput, StudentTOutput, BetaOutput, NegativeBinomialOutput, IndependentNormalOutput, LowRankMultivariateNormalOutput, MultivariateNormalOutput, FlowOutput, TweedieOutput ) from .feature import FeatureEmbedder, FeatureAssembler from .flows import RealNVP, MAF from .lambda_layer import LambdaLayer from .scaler import MeanScaler, NOPScaler
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