void register_TestFF_class(){ { //::SireMM::TestFF typedef bp::class_< SireMM::TestFF > TestFF_exposer_t; TestFF_exposer_t TestFF_exposer = TestFF_exposer_t( "TestFF", "This is a simple forcefield that is designed to let me test new\nways of calculating energies before rolling out the new design\nto the rest of Sire\n\nAuthor: Christopher Woods\n", bp::init< >("") ); bp::scope TestFF_scope( TestFF_exposer ); TestFF_exposer.def( bp::init< SireMM::TestFF const & >(( bp::arg("other") ), "") ); { //::SireMM::TestFF::add typedef void ( ::SireMM::TestFF::*add_function_type)( ::SireMol::Molecules const & ) ; add_function_type add_function_value( &::SireMM::TestFF::add ); TestFF_exposer.def( "add" , add_function_value , ( bp::arg("molecules") ) , "" ); } { //::SireMM::TestFF::addFixedAtoms typedef void ( ::SireMM::TestFF::*addFixedAtoms_function_type)( ::SireMol::Molecules const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::TestFF::addFixedAtoms ); TestFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("molecules") ) , "" ); } { //::SireMM::TestFF::calculateEnergy typedef void ( ::SireMM::TestFF::*calculateEnergy_function_type)( ) ; calculateEnergy_function_type calculateEnergy_function_value( &::SireMM::TestFF::calculateEnergy ); TestFF_exposer.def( "calculateEnergy" , calculateEnergy_function_value , "" ); } { //::SireMM::TestFF::operator= typedef ::SireMM::TestFF & ( ::SireMM::TestFF::*assign_function_type)( ::SireMM::TestFF const & ) ; assign_function_type assign_function_value( &::SireMM::TestFF::operator= ); TestFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } { //::SireMM::TestFF::setCutoff typedef void ( ::SireMM::TestFF::*setCutoff_function_type)( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::TestFF::setCutoff ); TestFF_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("coul_cutoff"), bp::arg("lj_cutoff") ) , "" ); } TestFF_exposer.def( "__copy__", &__copy__); TestFF_exposer.def( "__deepcopy__", &__copy__); TestFF_exposer.def( "clone", &__copy__); TestFF_exposer.def( "__str__", &pvt_get_name); TestFF_exposer.def( "__repr__", &pvt_get_name); } }
void register_TestFF_class(){ { //::SireMM::TestFF typedef bp::class_< SireMM::TestFF > TestFF_exposer_t; TestFF_exposer_t TestFF_exposer = TestFF_exposer_t( "TestFF", bp::init< >() ); bp::scope TestFF_scope( TestFF_exposer ); TestFF_exposer.def( bp::init< SireMM::TestFF const & >(( bp::arg("other") )) ); { //::SireMM::TestFF::add typedef void ( ::SireMM::TestFF::*add_function_type )( ::SireMol::Molecules const & ) ; add_function_type add_function_value( &::SireMM::TestFF::add ); TestFF_exposer.def( "add" , add_function_value , ( bp::arg("molecules") ) ); } { //::SireMM::TestFF::addFixedAtoms typedef void ( ::SireMM::TestFF::*addFixedAtoms_function_type )( ::SireMol::Molecules const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::TestFF::addFixedAtoms ); TestFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("molecules") ) ); } { //::SireMM::TestFF::calculateEnergy typedef void ( ::SireMM::TestFF::*calculateEnergy_function_type )( ) ; calculateEnergy_function_type calculateEnergy_function_value( &::SireMM::TestFF::calculateEnergy ); TestFF_exposer.def( "calculateEnergy" , calculateEnergy_function_value ); } { //::SireMM::TestFF::operator= typedef ::SireMM::TestFF & ( ::SireMM::TestFF::*assign_function_type )( ::SireMM::TestFF const & ) ; assign_function_type assign_function_value( &::SireMM::TestFF::operator= ); TestFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } { //::SireMM::TestFF::setCutoff typedef void ( ::SireMM::TestFF::*setCutoff_function_type )( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::TestFF::setCutoff ); TestFF_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("coul_cutoff"), bp::arg("lj_cutoff") ) ); } TestFF_exposer.def( "__copy__", &__copy__); TestFF_exposer.def( "__deepcopy__", &__copy__); TestFF_exposer.def( "clone", &__copy__); TestFF_exposer.def( "__str__", &pvt_get_name); TestFF_exposer.def( "__repr__", &pvt_get_name); } }