void register_ChargeParameterName_class(){ { //::SireMM::ChargeParameterName typedef bp::class_< SireMM::ChargeParameterName > ChargeParameterName_exposer_t; ChargeParameterName_exposer_t ChargeParameterName_exposer = ChargeParameterName_exposer_t( "ChargeParameterName", "This class provides the default name of the\nproperty that contains the charge parameters", bp::init< >("") ); bp::scope ChargeParameterName_scope( ChargeParameterName_exposer ); { //::SireMM::ChargeParameterName::charge typedef ::QString const & ( ::SireMM::ChargeParameterName::*charge_function_type)( ) const; charge_function_type charge_function_value( &::SireMM::ChargeParameterName::charge ); ChargeParameterName_exposer.def( "charge" , charge_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } ChargeParameterName_exposer.def( "__copy__", &__copy__); ChargeParameterName_exposer.def( "__deepcopy__", &__copy__); ChargeParameterName_exposer.def( "clone", &__copy__); ChargeParameterName_exposer.def( "__str__", &pvt_get_name); ChargeParameterName_exposer.def( "__repr__", &pvt_get_name); } }
void register_CLJAtom_class(){ { //::SireMM::CLJAtom typedef bp::class_< SireMM::CLJAtom > CLJAtom_exposer_t; CLJAtom_exposer_t CLJAtom_exposer = CLJAtom_exposer_t( "CLJAtom", bp::init< >() ); bp::scope CLJAtom_scope( CLJAtom_exposer ); CLJAtom_exposer.def( bp::init< SireMaths::Vector, SireUnits::Dimension::Charge, SireMM::LJParameter, bp::optional< qint32 > >(( bp::arg("coords"), bp::arg("charge"), bp::arg("ljparam"), bp::arg("idnum")=(int)(1) )) ); CLJAtom_exposer.def( bp::init< SireMM::CLJAtom const & >(( bp::arg("other") )) ); { //::SireMM::CLJAtom::ID typedef ::qint32 ( ::SireMM::CLJAtom::*ID_function_type )( ) const; ID_function_type ID_function_value( &::SireMM::CLJAtom::ID ); CLJAtom_exposer.def( "ID" , ID_function_value ); } { //::SireMM::CLJAtom::buildFrom typedef ::QVector< SireMM::CLJAtom > ( *buildFrom_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ); buildFrom_function_type buildFrom_function_value( &::SireMM::CLJAtom::buildFrom ); CLJAtom_exposer.def( "buildFrom" , buildFrom_function_value , ( bp::arg("molecule"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMM::CLJAtom::charge typedef ::SireUnits::Dimension::Charge ( ::SireMM::CLJAtom::*charge_function_type )( ) const; charge_function_type charge_function_value( &::SireMM::CLJAtom::charge ); CLJAtom_exposer.def( "charge" , charge_function_value ); } { //::SireMM::CLJAtom::coordinates typedef ::SireMaths::Vector ( ::SireMM::CLJAtom::*coordinates_function_type )( ) const; coordinates_function_type coordinates_function_value( &::SireMM::CLJAtom::coordinates ); CLJAtom_exposer.def( "coordinates" , coordinates_function_value ); } { //::SireMM::CLJAtom::isDummy typedef bool ( ::SireMM::CLJAtom::*isDummy_function_type )( ) const; isDummy_function_type isDummy_function_value( &::SireMM::CLJAtom::isDummy ); CLJAtom_exposer.def( "isDummy" , isDummy_function_value ); } { //::SireMM::CLJAtom::isNull typedef bool ( ::SireMM::CLJAtom::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMM::CLJAtom::isNull ); CLJAtom_exposer.def( "isNull" , isNull_function_value ); } { //::SireMM::CLJAtom::ljParameter typedef ::SireMM::LJParameter ( ::SireMM::CLJAtom::*ljParameter_function_type )( ) const; ljParameter_function_type ljParameter_function_value( &::SireMM::CLJAtom::ljParameter ); CLJAtom_exposer.def( "ljParameter" , ljParameter_function_value ); } { //::SireMM::CLJAtom::negate typedef ::SireMM::CLJAtom ( ::SireMM::CLJAtom::*negate_function_type )( ) const; negate_function_type negate_function_value( &::SireMM::CLJAtom::negate ); CLJAtom_exposer.def( "negate" , negate_function_value ); } CLJAtom_exposer.def( bp::self != bp::self ); { //::SireMM::CLJAtom::operator= typedef ::SireMM::CLJAtom & ( ::SireMM::CLJAtom::*assign_function_type )( ::SireMM::CLJAtom const & ) ; assign_function_type assign_function_value( &::SireMM::CLJAtom::operator= ); CLJAtom_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJAtom_exposer.def( bp::self == bp::self ); { //::SireMM::CLJAtom::toString typedef ::QString ( ::SireMM::CLJAtom::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::CLJAtom::toString ); CLJAtom_exposer.def( "toString" , toString_function_value ); } { //::SireMM::CLJAtom::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJAtom::typeName ); CLJAtom_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::CLJAtom::what typedef char const * ( ::SireMM::CLJAtom::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::CLJAtom::what ); CLJAtom_exposer.def( "what" , what_function_value ); } CLJAtom_exposer.staticmethod( "buildFrom" ); CLJAtom_exposer.staticmethod( "typeName" ); CLJAtom_exposer.def( "__copy__", &__copy__); CLJAtom_exposer.def( "__deepcopy__", &__copy__); CLJAtom_exposer.def( "clone", &__copy__); CLJAtom_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJAtom >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJAtom_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJAtom >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJAtom_exposer.def( "__str__", &__str__< ::SireMM::CLJAtom > ); CLJAtom_exposer.def( "__repr__", &__str__< ::SireMM::CLJAtom > ); } }
void register_CLJProbe_class(){ { //::SireMM::CLJProbe typedef bp::class_< SireMM::CLJProbe, bp::bases< SireFF::Probe, SireBase::Property > > CLJProbe_exposer_t; CLJProbe_exposer_t CLJProbe_exposer = CLJProbe_exposer_t( "CLJProbe", bp::init< >() ); bp::scope CLJProbe_scope( CLJProbe_exposer ); CLJProbe_exposer.def( bp::init< SireUnits::Dimension::Charge >(( bp::arg("charge") )) ); CLJProbe_exposer.def( bp::init< SireMM::LJParameter const & >(( bp::arg("ljparam") )) ); CLJProbe_exposer.def( bp::init< SireUnits::Dimension::Charge, SireMM::LJParameter const & >(( bp::arg("charge"), bp::arg("ljparam") )) ); CLJProbe_exposer.def( bp::init< SireMM::CoulombProbe const & >(( bp::arg("probe") )) ); CLJProbe_exposer.def( bp::init< SireMM::LJProbe const & >(( bp::arg("probe") )) ); CLJProbe_exposer.def( bp::init< SireFF::Probe const & >(( bp::arg("probe") )) ); CLJProbe_exposer.def( bp::init< SireMM::CLJProbe const & >(( bp::arg("cljprobe") )) ); { //::SireMM::CLJProbe::charge typedef ::SireUnits::Dimension::Charge ( ::SireMM::CLJProbe::*charge_function_type )( ) const; charge_function_type charge_function_value( &::SireMM::CLJProbe::charge ); CLJProbe_exposer.def( "charge" , charge_function_value ); } { //::SireMM::CLJProbe::lj typedef ::SireMM::LJParameter const & ( ::SireMM::CLJProbe::*lj_function_type )( ) const; lj_function_type lj_function_value( &::SireMM::CLJProbe::lj ); CLJProbe_exposer.def( "lj" , lj_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } CLJProbe_exposer.def( bp::self != bp::self ); { //::SireMM::CLJProbe::operator= typedef ::SireMM::CLJProbe & ( ::SireMM::CLJProbe::*assign_function_type )( ::SireMM::CLJProbe const & ) ; assign_function_type assign_function_value( &::SireMM::CLJProbe::operator= ); CLJProbe_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJProbe_exposer.def( bp::self == bp::self ); { //::SireMM::CLJProbe::reducedCharge typedef double ( ::SireMM::CLJProbe::*reducedCharge_function_type )( ) const; reducedCharge_function_type reducedCharge_function_value( &::SireMM::CLJProbe::reducedCharge ); CLJProbe_exposer.def( "reducedCharge" , reducedCharge_function_value ); } { //::SireMM::CLJProbe::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJProbe::typeName ); CLJProbe_exposer.def( "typeName" , typeName_function_value ); } CLJProbe_exposer.staticmethod( "typeName" ); CLJProbe_exposer.def( "__copy__", &__copy__); CLJProbe_exposer.def( "__deepcopy__", &__copy__); CLJProbe_exposer.def( "clone", &__copy__); CLJProbe_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJProbe >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJProbe_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJProbe >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJProbe_exposer.def( "__str__", &__str__< ::SireMM::CLJProbe > ); CLJProbe_exposer.def( "__repr__", &__str__< ::SireMM::CLJProbe > ); } }