Searched refs:OBPairFloatingPoint (Results 1 – 7 of 7) sorted by relevance
748 …OBPairFloatingPoint *occup_fp = dynamic_cast<OBPairFloatingPoint*> (atom->GetData("_atom_site_occu… in WriteMolecule()1084 OBPairFloatingPoint* occup = new OBPairFloatingPoint; in parseAtomRecord()
787 OBPairFloatingPoint * occup = new OBPairFloatingPoint; in ReadMolecule()1000 OBPairFloatingPoint * charge_obd = new OBPairFloatingPoint; in ReadMolecule()
1504 OBPairFloatingPoint *occup_data = new OBPairFloatingPoint; in ReadMolecule()1512 OBPairFloatingPoint *charge_data = new OBPairFloatingPoint; in ReadMolecule()1634 …occup = (dynamic_cast<OBPairFloatingPoint *> (atom->GetData("_atom_site_occupancy")))->GetGenericV… in WriteMolecule()
264 %template(OBPairFloatingPoint) OpenBabel::OBPairTemplate<float>;
146 typedef OBPairTemplate<double> OBPairFloatingPoint; typedef
1575 class OBPairFloatingPoint(OBGenericData): class1582 OBPairFloatingPoint.SetValue = new_instancemethod(_openbabel.OBPairFloatingPoint_SetValue, None, OB…1583 OBPairFloatingPoint.GetGenericValue = new_instancemethod(_openbabel.OBPairFloatingPoint_GetGenericV…1585 OBPairFloatingPoint_swigregister(OBPairFloatingPoint)
7274 OpenBabel::OBPairFloatingPoint *toPairFloatingPoint(OpenBabel::OBGenericData *data) { in toPairFloatingPoint()7275 return (OpenBabel::OBPairFloatingPoint *) data; in toPairFloatingPoint()14463 OpenBabel::OBPairFloatingPoint *result = 0 ; if (!args) SWIG_fail; swig_obj[0] = args; in _wrap_toPairFloatingPoint()14467 result = (OpenBabel::OBPairFloatingPoint *)toPairFloatingPoint(arg1); in _wrap_toPairFloatingPoint()