"""Classes for scoring models with the SOAP-Protein-OD potential""" from modeller import terms, physical import _modeller __docformat__ = "epytext en" class Scorer(terms.AssessEnergyTerm): """Score the model using the SOAP-Protein-OD potential.""" name = "SOAP-Protein-OD score" def __init__(self, library='${LIB}/soap_protein_od.hdf5', group=physical.xy_distance): terms.energy_term.__init__(self) self._group = group self.__library = library def _add_term(self, edat, indx): _modeller.mod_soap_od_create(edat, indx, self._group.get_type(), self.__library)