--- branches/development/src/brains/Thermo.cpp 2012/05/15 13:04:08 1709 +++ branches/development/src/brains/Thermo.cpp 2012/05/18 21:44:02 1710 @@ -51,6 +51,7 @@ #include "primitives/Molecule.hpp" #include "utils/simError.h" #include "utils/PhysicalConstants.hpp" +#include "types/MultipoleAdapter.hpp" namespace OpenMD { @@ -364,15 +365,12 @@ namespace OpenMD { } } - if (atom->isDipole() ) { + MultipoleAdapter ma = MultipoleAdapter(atom->getAtomType()); + if (ma.isDipole() ) { Vector3d u_i = atom->getElectroFrame().getColumn(2); - GenericData* data = dynamic_cast(atom->getAtomType())->getPropertyByName("Dipole"); - if (data != NULL) { - moment = (dynamic_cast(data))->getData(); - - moment *= debyeToCm; - dipoleVector += u_i * moment; - } + moment = ma.getDipoleMoment(); + moment *= debyeToCm; + dipoleVector += u_i * moment; } } }