Datasets:
thisisanshgupta
/
Pycode

Dataset card Data Studio Files
xet
Community
text
stringlengths
0
828
:returns: [datatype1, ...]
""""""
datatypes = list()
for datatype, value in [('rm', rm), ('ci', ci), ('smi', smi),
('sai', sai), ('si', si)]:
if value:
datatypes.append(datatype)
return datatypes"
1932,"def save(self, specfiles=None, rm=False, ci=False, smi=False, sai=False,
si=False, compress=True, path=None):
""""""Writes the specified datatypes to ``mrc`` files on the hard disk.
.. note::
If ``.save()`` is called and no ``mrc`` files are present in the
specified path new files are generated, otherwise old files are
replaced.
:param specfiles: the name of an ms-run file or a list of names. If None
all specfiles are selected.
:type specfiles: None, str, [str, str]
:param rm: bool, True to select ``self.rmc`` (run metadata)
:param ci: bool, True to select ``self.cic`` (chromatogram items)
:param smi: bool, True to select ``self.smic`` (spectrum metadata items)
:param sai: bool, True to select ``self.saic`` (spectrum array items)
:param si: bool, True to select ``self.sic`` (spectrum items)
:param compress: bool, True to use zip file compression
:param path: filedirectory to which the ``mrc`` files are written. By
default the parameter is set to ``None`` and the filedirectory is
read from ``self.info[specfile]['path']``
""""""
if specfiles is None:
specfiles = [_ for _ in viewkeys(self.info)]
else:
specfiles = aux.toList(specfiles)
datatypes = self._processDatatypes(rm, ci, smi, sai, si)
if len(datatypes) == 0:
datatypes = ['rm', 'ci', 'smi', 'sai', 'si']
for specfile in specfiles:
if specfile not in self.info:
warntext = 'Error while calling ""MsrunContainer.save()"": ""%s"" '\
'is not present in ""MsrunContainer.info""!'\
% (specfile, )
warnings.warn(warntext)
continue
else:
msrunInfo = self.info[specfile]
specfilePath = msrunInfo['path'] if path is None else path
with aux.PartiallySafeReplace() as msr:
for datatype in datatypes:
filename = specfile + '.mrc_' + datatype
filepath = aux.joinpath(specfilePath, filename)
with msr.open(filepath, 'w+b') as openfile:
if datatype == 'rm':
self._writeRmc(openfile, specfile)
elif datatype == 'ci':
self._writeCic(openfile, specfile, compress)
elif datatype == 'si':
self._writeSic(openfile, specfile, compress)
elif datatype == 'smi':
self._writeSmic(openfile, specfile, compress)
elif datatype == 'sai':
self._writeSaic(openfile, specfile, compress)"
1933,"def _writeCic(self, filelike, specfile, compress):
""""""Writes the ``.cic`` container entry of the specified specfile to the
``mrc_cic`` format. For details see
:func:`maspy.auxiliary.writeBinaryItemContainer()`
:param filelike: path to a file (str) or a file-like object
:param specfile: name of an ms-run file present in ``self.info``
:param compress: bool, True to use zip file compression
""""""
aux.writeBinaryItemContainer(filelike, self.cic[specfile], compress)"
1934,"def _writeSaic(self, filelike, specfile, compress):
""""""Writes the ``.ssic`` container entry of the specified specfile to the
``mrc_saic`` format. For details see
:func:`maspy.auxiliary.writeBinaryItemContainer()`
:param filelike: path to a file (str) or a file-like object
:param specfile: name of an ms-run file present in ``self.info``
:param compress: bool, True to use zip file compression
""""""
aux.writeBinaryItemContainer(filelike, self.saic[specfile], compress)"
1935,"def _writeSmic(self, filelike, specfile, compress):
""""""Writes the ``.smic`` container entry of the specified specfile to the
``mrc_smic`` format. For details see
:func:`maspy.auxiliary.writeJsonZipfile()`
:param filelike: path to a file (str) or a file-like object
:param specfile: name of an ms-run file present in ``self.info``
:param compress: bool, True to use zip file compression
""""""
aux.writeJsonZipfile(filelike, self.smic[specfile], compress)"
1936,"def _writeSic(self, filelike, specfile, compress):
""""""Writes the ``.sic`` container entry of the specified specfile to the
``mrc_sic`` format. For details see
:func:`maspy.auxiliary.writeJsonZipfile()`