def read(self, filename, format='auto'):
"""Load structure from a file, raise ControlFileError for invalid
or unknown structure format. Overloads PDFStructure.read()
to handle custom_spacegroup attribute.
filename -- file to be loaded
format -- structure format such as 'pdffit', 'pdb', 'xyz'. When
'auto' all available formats are tried in a row.
Return instance of StructureParser used to load the data.
See Structure.read() for more info.
"""
p = PDFStructure.read(self, filename, format)
# update data only after successful reading
self._update_custom_spacegroup(p)
return p
def read(self, filename, format="auto"):
"""Load structure from a file, raise ControlFileError for invalid
or unknown structure format. Overloads PDFStructure.read()
to handle custom_spacegroup attribute.
filename -- file to be loaded
format -- structure format such as 'pdffit', 'pdb', 'xyz'. When
'auto' all available formats are tried in a row.
Return instance of StructureParser used to load the data.
See Structure.read() for more info.
"""
p = PDFStructure.read(self, filename, format)
# update data only after successful reading
self._update_custom_spacegroup(p)
# FIXME Temporary workaround to prevent forced isotropy of the Uij
# values. To be removed and handled by atom isotropy column.
self.anisotropy = True
return p
def read(self, filename, format='auto'):
"""Load structure from a file, raise ControlFileError for invalid
or unknown structure format. Overloads PDFStructure.read()
to handle custom_spacegroup attribute.
filename -- file to be loaded
format -- structure format such as 'pdffit', 'pdb', 'xyz'. When
'auto' all available formats are tried in a row.
Return instance of StructureParser used to load the data.
See Structure.read() for more info.
"""
p = PDFStructure.read(self, filename, format)
# update data only after successful reading
self._update_custom_spacegroup(p)
# FIXME Temporary workaround to prevent forced isotropy of the Uij
# values. To be removed and handled by atom isotropy column.
self.anisotropy = True
return p
