void register_QMComponent_class(){ { //::Squire::QMComponent typedef bp::class_< Squire::QMComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > QMComponent_exposer_t; QMComponent_exposer_t QMComponent_exposer = QMComponent_exposer_t( "QMComponent", "This class represents a QM energy", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() ), "Constructor for the forcefield called ffname") ); bp::scope QMComponent_scope( QMComponent_exposer ); QMComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") ), "Construct from a symbol\nThrow: SireError::incompatible_error\n") ); QMComponent_exposer.def( bp::init< Squire::QMComponent const & >(( bp::arg("other") ), "Copy constructor") ); { //::Squire::QMComponent::changeEnergy typedef void ( ::Squire::QMComponent::*changeEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const; changeEnergy_function_type changeEnergy_function_value( &::Squire::QMComponent::changeEnergy ); QMComponent_exposer.def( "changeEnergy" , changeEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) , "Change the QM component of the energy in the forcefield ff\nby delta" ); } { //::Squire::QMComponent::setEnergy typedef void ( ::Squire::QMComponent::*setEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const; setEnergy_function_type setEnergy_function_value( &::Squire::QMComponent::setEnergy ); QMComponent_exposer.def( "setEnergy" , setEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) , "Set the QM component of the energy in the forcefield ff\nto equal to the passed QMEnergy" ); } { //::Squire::QMComponent::symbols typedef ::SireCAS::Symbols ( ::Squire::QMComponent::*symbols_function_type)( ) const; symbols_function_type symbols_function_value( &::Squire::QMComponent::symbols ); QMComponent_exposer.def( "symbols" , symbols_function_value , "" ); } { //::Squire::QMComponent::total typedef ::Squire::QMComponent const & ( ::Squire::QMComponent::*total_function_type)( ) const; total_function_type total_function_value( &::Squire::QMComponent::total ); QMComponent_exposer.def( "total" , total_function_value , bp::return_value_policy<bp::clone_const_reference>() , "" ); } { //::Squire::QMComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::QMComponent::typeName ); QMComponent_exposer.def( "typeName" , typeName_function_value , "" ); } { //::Squire::QMComponent::what typedef char const * ( ::Squire::QMComponent::*what_function_type)( ) const; what_function_type what_function_value( &::Squire::QMComponent::what ); QMComponent_exposer.def( "what" , what_function_value , "" ); } QMComponent_exposer.staticmethod( "typeName" ); QMComponent_exposer.def( "__copy__", &__copy__); QMComponent_exposer.def( "__deepcopy__", &__copy__); QMComponent_exposer.def( "clone", &__copy__); QMComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__str__", &__str__< ::Squire::QMComponent > ); QMComponent_exposer.def( "__repr__", &__str__< ::Squire::QMComponent > ); QMComponent_exposer.def( "__hash__", &::Squire::QMComponent::hash ); } }
void register_QMComponent_class(){ { //::Squire::QMComponent typedef bp::class_< Squire::QMComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > QMComponent_exposer_t; QMComponent_exposer_t QMComponent_exposer = QMComponent_exposer_t( "QMComponent", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() )) ); bp::scope QMComponent_scope( QMComponent_exposer ); QMComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") )) ); QMComponent_exposer.def( bp::init< Squire::QMComponent const & >(( bp::arg("other") )) ); { //::Squire::QMComponent::changeEnergy typedef void ( ::Squire::QMComponent::*changeEnergy_function_type )( ::SireFF::FF &,::Squire::QMEnergy const & ) const; changeEnergy_function_type changeEnergy_function_value( &::Squire::QMComponent::changeEnergy ); QMComponent_exposer.def( "changeEnergy" , changeEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) ); } { //::Squire::QMComponent::setEnergy typedef void ( ::Squire::QMComponent::*setEnergy_function_type )( ::SireFF::FF &,::Squire::QMEnergy const & ) const; setEnergy_function_type setEnergy_function_value( &::Squire::QMComponent::setEnergy ); QMComponent_exposer.def( "setEnergy" , setEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) ); } { //::Squire::QMComponent::symbols typedef ::SireCAS::Symbols ( ::Squire::QMComponent::*symbols_function_type )( ) const; symbols_function_type symbols_function_value( &::Squire::QMComponent::symbols ); QMComponent_exposer.def( "symbols" , symbols_function_value ); } { //::Squire::QMComponent::total typedef ::Squire::QMComponent const & ( ::Squire::QMComponent::*total_function_type )( ) const; total_function_type total_function_value( &::Squire::QMComponent::total ); QMComponent_exposer.def( "total" , total_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::QMComponent::typeName ); QMComponent_exposer.def( "typeName" , typeName_function_value ); } { //::Squire::QMComponent::what typedef char const * ( ::Squire::QMComponent::*what_function_type )( ) const; what_function_type what_function_value( &::Squire::QMComponent::what ); QMComponent_exposer.def( "what" , what_function_value ); } QMComponent_exposer.staticmethod( "typeName" ); QMComponent_exposer.def( "__copy__", &__copy__); QMComponent_exposer.def( "__deepcopy__", &__copy__); QMComponent_exposer.def( "clone", &__copy__); QMComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__str__", &__str__< ::Squire::QMComponent > ); QMComponent_exposer.def( "__repr__", &__str__< ::Squire::QMComponent > ); } }