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); } }
void register_CLJCutoffFunction_class(){ { //::SireMM::CLJCutoffFunction typedef bp::class_< SireMM::CLJCutoffFunction, bp::bases< SireMM::CLJFunction, SireBase::Property >, boost::noncopyable > CLJCutoffFunction_exposer_t; CLJCutoffFunction_exposer_t CLJCutoffFunction_exposer = CLJCutoffFunction_exposer_t( "CLJCutoffFunction", "This is the base class of all CLJ functions that have a cutoff\n\nAuthor: Christopher Woods\n", bp::no_init ); bp::scope CLJCutoffFunction_scope( CLJCutoffFunction_exposer ); { //::SireMM::CLJCutoffFunction::containsProperty typedef bool ( ::SireMM::CLJCutoffFunction::*containsProperty_function_type)( ::QString const & ) const; containsProperty_function_type containsProperty_function_value( &::SireMM::CLJCutoffFunction::containsProperty ); CLJCutoffFunction_exposer.def( "containsProperty" , containsProperty_function_value , ( bp::arg("name") ) , "Return whether or not this function contains a property called name" ); } { //::SireMM::CLJCutoffFunction::coulombCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*coulombCutoff_function_type)( ) const; coulombCutoff_function_type coulombCutoff_function_value( &::SireMM::CLJCutoffFunction::coulombCutoff ); CLJCutoffFunction_exposer.def( "coulombCutoff" , coulombCutoff_function_value , "Return the coulomb cutoff distance" ); } { //::SireMM::CLJCutoffFunction::hasCutoff typedef bool ( ::SireMM::CLJCutoffFunction::*hasCutoff_function_type)( ) const; hasCutoff_function_type hasCutoff_function_value( &::SireMM::CLJCutoffFunction::hasCutoff ); CLJCutoffFunction_exposer.def( "hasCutoff" , hasCutoff_function_value , "Return whether or not this function has a cutoff" ); } { //::SireMM::CLJCutoffFunction::ljCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*ljCutoff_function_type)( ) const; ljCutoff_function_type ljCutoff_function_value( &::SireMM::CLJCutoffFunction::ljCutoff ); CLJCutoffFunction_exposer.def( "ljCutoff" , ljCutoff_function_value , "Return the LJ cutoff distance" ); } { //::SireMM::CLJCutoffFunction::properties typedef ::SireBase::Properties ( ::SireMM::CLJCutoffFunction::*properties_function_type)( ) const; properties_function_type properties_function_value( &::SireMM::CLJCutoffFunction::properties ); CLJCutoffFunction_exposer.def( "properties" , properties_function_value , "Return the properties that can be set in this function" ); } { //::SireMM::CLJCutoffFunction::property typedef ::SireBase::PropertyPtr ( ::SireMM::CLJCutoffFunction::*property_function_type)( ::QString const & ) const; property_function_type property_function_value( &::SireMM::CLJCutoffFunction::property ); CLJCutoffFunction_exposer.def( "property" , property_function_value , ( bp::arg("name") ) , "Return the value of the property with name name" ); } { //::SireMM::CLJCutoffFunction::setCoulombCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCoulombCutoff_function_type)( ::SireUnits::Dimension::Length ) ; setCoulombCutoff_function_type setCoulombCutoff_function_value( &::SireMM::CLJCutoffFunction::setCoulombCutoff ); CLJCutoffFunction_exposer.def( "setCoulombCutoff" , setCoulombCutoff_function_value , ( bp::arg("distance") ) , "Set the coulomb cutoff to the specified distance" ); } { //::SireMM::CLJCutoffFunction::setCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type)( ::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff ); CLJCutoffFunction_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("distance") ) , "Set the coulomb and LJ cutoff distances to distance" ); } { //::SireMM::CLJCutoffFunction::setCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type)( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff ); CLJCutoffFunction_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("coulomb_cutoff"), bp::arg("lj_cutoff") ) , "Set the coulomb and LJ cutoff distances to the specified values" ); } { //::SireMM::CLJCutoffFunction::setLJCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setLJCutoff_function_type)( ::SireUnits::Dimension::Length ) ; setLJCutoff_function_type setLJCutoff_function_value( &::SireMM::CLJCutoffFunction::setLJCutoff ); CLJCutoffFunction_exposer.def( "setLJCutoff" , setLJCutoff_function_value , ( bp::arg("distance") ) , "Set the LJ cutoff to the specified distance" ); } { //::SireMM::CLJCutoffFunction::setProperty typedef ::SireMM::CLJFunctionPtr ( ::SireMM::CLJCutoffFunction::*setProperty_function_type)( ::QString const &,::SireBase::Property const & ) const; setProperty_function_type setProperty_function_value( &::SireMM::CLJCutoffFunction::setProperty ); CLJCutoffFunction_exposer.def( "setProperty" , setProperty_function_value , ( bp::arg("name"), bp::arg("value") ) , "Set the property with name name to value value" ); } { //::SireMM::CLJCutoffFunction::toString typedef ::QString ( ::SireMM::CLJCutoffFunction::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMM::CLJCutoffFunction::toString ); CLJCutoffFunction_exposer.def( "toString" , toString_function_value , "" ); } { //::SireMM::CLJCutoffFunction::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJCutoffFunction::typeName ); CLJCutoffFunction_exposer.def( "typeName" , typeName_function_value , "" ); } CLJCutoffFunction_exposer.staticmethod( "typeName" ); CLJCutoffFunction_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJCutoffFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJCutoffFunction_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJCutoffFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJCutoffFunction_exposer.def( "__str__", &__str__< ::SireMM::CLJCutoffFunction > ); CLJCutoffFunction_exposer.def( "__repr__", &__str__< ::SireMM::CLJCutoffFunction > ); } }
void register_CLJCutoffFunction_class(){ { //::SireMM::CLJCutoffFunction typedef bp::class_< SireMM::CLJCutoffFunction, bp::bases< SireMM::CLJFunction, SireBase::Property >, boost::noncopyable > CLJCutoffFunction_exposer_t; CLJCutoffFunction_exposer_t CLJCutoffFunction_exposer = CLJCutoffFunction_exposer_t( "CLJCutoffFunction", bp::no_init ); bp::scope CLJCutoffFunction_scope( CLJCutoffFunction_exposer ); { //::SireMM::CLJCutoffFunction::containsProperty typedef bool ( ::SireMM::CLJCutoffFunction::*containsProperty_function_type )( ::QString const & ) const; containsProperty_function_type containsProperty_function_value( &::SireMM::CLJCutoffFunction::containsProperty ); CLJCutoffFunction_exposer.def( "containsProperty" , containsProperty_function_value , ( bp::arg("name") ) ); } { //::SireMM::CLJCutoffFunction::coulombCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*coulombCutoff_function_type )( ) const; coulombCutoff_function_type coulombCutoff_function_value( &::SireMM::CLJCutoffFunction::coulombCutoff ); CLJCutoffFunction_exposer.def( "coulombCutoff" , coulombCutoff_function_value ); } { //::SireMM::CLJCutoffFunction::hasCutoff typedef bool ( ::SireMM::CLJCutoffFunction::*hasCutoff_function_type )( ) const; hasCutoff_function_type hasCutoff_function_value( &::SireMM::CLJCutoffFunction::hasCutoff ); CLJCutoffFunction_exposer.def( "hasCutoff" , hasCutoff_function_value ); } { //::SireMM::CLJCutoffFunction::ljCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*ljCutoff_function_type )( ) const; ljCutoff_function_type ljCutoff_function_value( &::SireMM::CLJCutoffFunction::ljCutoff ); CLJCutoffFunction_exposer.def( "ljCutoff" , ljCutoff_function_value ); } { //::SireMM::CLJCutoffFunction::properties typedef ::SireBase::Properties ( ::SireMM::CLJCutoffFunction::*properties_function_type )( ) const; properties_function_type properties_function_value( &::SireMM::CLJCutoffFunction::properties ); CLJCutoffFunction_exposer.def( "properties" , properties_function_value ); } { //::SireMM::CLJCutoffFunction::property typedef ::SireBase::PropertyPtr ( ::SireMM::CLJCutoffFunction::*property_function_type )( ::QString const & ) const; property_function_type property_function_value( &::SireMM::CLJCutoffFunction::property ); CLJCutoffFunction_exposer.def( "property" , property_function_value , ( bp::arg("name") ) ); } { //::SireMM::CLJCutoffFunction::setCoulombCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCoulombCutoff_function_type )( ::SireUnits::Dimension::Length ) ; setCoulombCutoff_function_type setCoulombCutoff_function_value( &::SireMM::CLJCutoffFunction::setCoulombCutoff ); CLJCutoffFunction_exposer.def( "setCoulombCutoff" , setCoulombCutoff_function_value , ( bp::arg("distance") ) ); } { //::SireMM::CLJCutoffFunction::setCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type )( ::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff ); CLJCutoffFunction_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("distance") ) ); } { //::SireMM::CLJCutoffFunction::setCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type )( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ; setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff ); CLJCutoffFunction_exposer.def( "setCutoff" , setCutoff_function_value , ( bp::arg("coulomb_cutoff"), bp::arg("lj_cutoff") ) ); } { //::SireMM::CLJCutoffFunction::setLJCutoff typedef void ( ::SireMM::CLJCutoffFunction::*setLJCutoff_function_type )( ::SireUnits::Dimension::Length ) ; setLJCutoff_function_type setLJCutoff_function_value( &::SireMM::CLJCutoffFunction::setLJCutoff ); CLJCutoffFunction_exposer.def( "setLJCutoff" , setLJCutoff_function_value , ( bp::arg("distance") ) ); } { //::SireMM::CLJCutoffFunction::setProperty typedef ::SireMM::CLJFunctionPtr ( ::SireMM::CLJCutoffFunction::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) const; setProperty_function_type setProperty_function_value( &::SireMM::CLJCutoffFunction::setProperty ); CLJCutoffFunction_exposer.def( "setProperty" , setProperty_function_value , ( bp::arg("name"), bp::arg("value") ) ); } { //::SireMM::CLJCutoffFunction::toString typedef ::QString ( ::SireMM::CLJCutoffFunction::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::CLJCutoffFunction::toString ); CLJCutoffFunction_exposer.def( "toString" , toString_function_value ); } { //::SireMM::CLJCutoffFunction::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJCutoffFunction::typeName ); CLJCutoffFunction_exposer.def( "typeName" , typeName_function_value ); } CLJCutoffFunction_exposer.staticmethod( "typeName" ); CLJCutoffFunction_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJCutoffFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJCutoffFunction_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJCutoffFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJCutoffFunction_exposer.def( "__str__", &__str__< ::SireMM::CLJCutoffFunction > ); CLJCutoffFunction_exposer.def( "__repr__", &__str__< ::SireMM::CLJCutoffFunction > ); } }