def get_residue_atom_indices(mdl, start, end): iatmr1 = _modeller.mod_coordinates_iatmr1_get(mdl.cdpt) startind = _modeller.mod_int1_get(iatmr1, start) - 1 if end < mdl.nres: endind = _modeller.mod_int1_get(iatmr1, end) - 1 else: endind = mdl.natm return (startind, endind)
def __get_atom_types(self): atc = self.__atclass._modpt iattmod = _modeller.mod_atom_classes_iattmod_get(atc) ngrpatm = _modeller.mod_atom_classes_ngrpatm_get(atc) first_entry = _modeller.mod_int1_get(iattmod, self.__indx) - 1 if self.__indx == ngrpatm - 1: last_entry = _modeller.mod_atom_classes_nattmod_get(atc) else: last_entry = _modeller.mod_int1_get(iattmod, self.__indx + 1) - 1 types = [] for i in range(first_entry, last_entry): types.append( _AtomType(_modeller.mod_atom_classes_residue_get(atc, i), _modeller.mod_atom_classes_atom_get(atc, i))) return tuple(types)
def __get_type(self): iattyp = _modeller.mod_model_iattyp_get(self.mdl.modpt) t = _modeller.mod_int1_get(iattyp, self._num) if t == 0: return None else: return AtomType(self.mdl, t - 1)
def __len__(self): nseq = _modeller.mod_sequence_db_nseqdb_get(self.sdb.modpt) return _modeller.mod_int1_get(nseq, self.num)
def _get_resind(self): iress1 = _modeller.mod_sequence_iress1_get(self.seq.seqpt) iress2 = _modeller.mod_sequence_iress2_get(self.seq.seqpt) return (_modeller.mod_int1_get(iress1, self._num) - 1, _modeller.mod_int1_get(iress2, self._num))
def __get_type(self): irestyp = _modeller.mod_sequence_irestyp_get(self.mdl.seqpt) return _modeller.mod_int1_get(irestyp, self._num)
def __get_gprsr_class(self): iatta = _modeller.mod_model_iatta_get(self.mdl.modpt) return _modeller.mod_int1_get(iatta, self._num)
def __get_type(self): iattyp = _modeller.mod_model_iattyp_get(self.mdl.modpt) return AtomType(self.mdl, _modeller.mod_int1_get(iattyp, self._num)-1)
def __get_residue(self): iresatm = _modeller.mod_coordinates_iresatm_get(self.mdl.cdpt) resind = _modeller.mod_int1_get(iresatm, self._num) - 1 return self.mdl.residues[resind]
def __get_neqv(self): neqv = _modeller.mod_profile_neqv_get(self._prf.modpt) return _modeller.mod_int1_get(neqv, self._num)
def __get_iter(self): iter = _modeller.mod_profile_iter_get(self._prf.modpt) return _modeller.mod_int1_get(iter, self._num)
def __len__(self): nres = _modeller.mod_profile_nres_get(self._prf.modpt) return _modeller.mod_int1_get(nres, self._num)