def _saveRemark(self, structure, filePDB):
#Structure Errors
standard = FcfrpStandardizationPDBErrorDetails()
for k,v in structure.get_StructureErrors().getStructureErrors().iteritems():
m = standard.formatMessageError(v.getIdError(), v.getMessage())
values = ( self._REMARK, m )
filePDB.write(self._REMARK_FORMAT % values)
def setStructureErrors(self,errors,vs, standard = None):
if standard == None:
standard = FcfrpStandardizationPDBErrorDetails()
dic = {}
for e in errors:
if e == 1:
dic = standard.standardization(e,vs.getMissingResidues())
self._setError(dic, e)
elif e == 2:
dic = standard.standardization(e,vs.getMissingAtoms())
self._setError(dic, e)
elif e == 3:
dic = standard.standardization(e,vs.getDuplicatedAtoms())
self._setError(dic, e)
elif e == 4:
dic = standard.standardization(e,vs.getUnknownResidues())
self._setError(dic, e)
