| import pymesh |
| import numpy |
| """ |
| Modified from: |
| save_ply.py - MaSIF |
| Pablo Gainza - LPDI STI EPFL 2019 |
| """ |
|
|
| """ |
| read_ply.py: Save a ply file to disk using pymesh and load the attributes used by MaSIF. |
| Pablo Gainza - LPDI STI EPFL 2019 |
| Released under an Apache License 2.0 |
| """ |
|
|
|
|
| def save_ply( |
| filename, |
| vertices, |
| faces=[], |
| normals=None, |
| charges=None, |
| vertex_cb=None, |
| hbond=None, |
| hphob=None, |
| iface=None, |
| si=None, |
| normalize_charges=False, |
| ): |
| """ Save vertices, mesh in ply format. |
| vertices: coordinates of vertices |
| faces: mesh |
| """ |
| mesh = pymesh.form_mesh(vertices, faces) |
| if normals is not None: |
| n1 = normals[:, 0] |
| n2 = normals[:, 1] |
| n3 = normals[:, 2] |
| mesh.add_attribute("vertex_nx") |
| mesh.set_attribute("vertex_nx", n1) |
| mesh.add_attribute("vertex_ny") |
| mesh.set_attribute("vertex_ny", n2) |
| mesh.add_attribute("vertex_nz") |
| mesh.set_attribute("vertex_nz", n3) |
| if charges is not None: |
| mesh.add_attribute("charge") |
| if normalize_charges: |
| charges = charges / 10 |
| mesh.set_attribute("charge", charges) |
| if hbond is not None: |
| mesh.add_attribute("hbond") |
| mesh.set_attribute("hbond", hbond) |
| if vertex_cb is not None: |
| mesh.add_attribute("vertex_cb") |
| mesh.set_attribute("vertex_cb", vertex_cb) |
| if hphob is not None: |
| mesh.add_attribute("vertex_hphob") |
| mesh.set_attribute("vertex_hphob", hphob) |
| if iface is not None: |
| mesh.add_attribute("vertex_iface") |
| mesh.set_attribute("vertex_iface", iface) |
| if si is not None: |
| mesh.add_attribute("vertex_si") |
| mesh.set_attribute("vertex_si", si) |
|
|
| pymesh.save_mesh( |
| filename, mesh, *mesh.get_attribute_names(), use_float=True, ascii=True |
| ) |
|
|
|
|
