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_GridFF_class(){ { //::SireMM::GridFF typedef bp::class_< SireMM::GridFF, bp::bases< SireFF::Inter2B2G3DFF<SireMM::CLJPotentialInterface<SireMM::InterCLJPotential> >, SireFF::FF3D, SireFF::Inter2B2GFF<SireMM::CLJPotentialInterface<SireMM::InterCLJPotential> >, SireMM::CLJPotentialInterface<SireMM::InterCLJPotential>, SireFF::G2FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > GridFF_exposer_t; GridFF_exposer_t GridFF_exposer = GridFF_exposer_t( "GridFF", bp::init< >() ); bp::scope GridFF_scope( GridFF_exposer ); GridFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) ); GridFF_exposer.def( bp::init< SireMM::GridFF const & >(( bp::arg("other") )) ); { //::SireMM::GridFF::addFixedAtoms typedef void ( ::SireMM::GridFF::*addFixedAtoms_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::GridFF::addFixedAtoms ); GridFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("fixed_atoms"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMM::GridFF::addFixedAtoms typedef void ( ::SireMM::GridFF::*addFixedAtoms_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::GridFF::addFixedAtoms ); GridFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("fixed_atoms"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMM::GridFF::addFixedAtoms typedef void ( ::SireMM::GridFF::*addFixedAtoms_function_type )( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::GridFF::addFixedAtoms ); GridFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("fixed_atoms"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMM::GridFF::addFixedAtoms typedef void ( ::SireMM::GridFF::*addFixedAtoms_function_type )( ::SireMM::GridFF const & ) ; addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::GridFF::addFixedAtoms ); GridFF_exposer.def( "addFixedAtoms" , addFixedAtoms_function_value , ( bp::arg("other") ) ); } { //::SireMM::GridFF::buffer typedef ::SireUnits::Dimension::Length ( ::SireMM::GridFF::*buffer_function_type )( ) const; buffer_function_type buffer_function_value( &::SireMM::GridFF::buffer ); GridFF_exposer.def( "buffer" , buffer_function_value ); } { //::SireMM::GridFF::coulombCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::GridFF::*coulombCutoff_function_type )( ) const; coulombCutoff_function_type coulombCutoff_function_value( &::SireMM::GridFF::coulombCutoff ); GridFF_exposer.def( "coulombCutoff" , coulombCutoff_function_value ); } { //::SireMM::GridFF::ljCutoff typedef ::SireUnits::Dimension::Length ( ::SireMM::GridFF::*ljCutoff_function_type )( ) const; ljCutoff_function_type ljCutoff_function_value( &::SireMM::GridFF::ljCutoff ); GridFF_exposer.def( "ljCutoff" , ljCutoff_function_value ); } { //::SireMM::GridFF::mustNowRecalculateFromScratch typedef void ( ::SireMM::GridFF::*mustNowRecalculateFromScratch_function_type )( ) ; mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::GridFF::mustNowRecalculateFromScratch ); GridFF_exposer.def( "mustNowRecalculateFromScratch" , mustNowRecalculateFromScratch_function_value ); } GridFF_exposer.def( bp::self != bp::self ); { //::SireMM::GridFF::operator= typedef ::SireMM::GridFF & ( ::SireMM::GridFF::*assign_function_type )( ::SireMM::GridFF const & ) ; assign_function_type assign_function_value( &::SireMM::GridFF::operator= ); GridFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } GridFF_exposer.def( bp::self == bp::self ); { //::SireMM::GridFF::setBuffer typedef void ( ::SireMM::GridFF::*setBuffer_function_type )( ::SireUnits::Dimension::Length ) ; setBuffer_function_type setBuffer_function_value( &::SireMM::GridFF::setBuffer ); GridFF_exposer.def( "setBuffer" , setBuffer_function_value , ( bp::arg("buffer") ) ); } { //::SireMM::GridFF::setCoulombCutoff typedef void ( ::SireMM::GridFF::*setCoulombCutoff_function_type )( ::SireUnits::Dimension::Length ) ; setCoulombCutoff_function_type setCoulombCutoff_function_value( &::SireMM::GridFF::setCoulombCutoff ); GridFF_exposer.def( "setCoulombCutoff" , setCoulombCutoff_function_value , ( bp::arg("cutoff") ) ); } { //::SireMM::GridFF::setGridSpacing typedef void ( ::SireMM::GridFF::*setGridSpacing_function_type )( ::SireUnits::Dimension::Length ) ; setGridSpacing_function_type setGridSpacing_function_value( &::SireMM::GridFF::setGridSpacing ); GridFF_exposer.def( "setGridSpacing" , setGridSpacing_function_value , ( bp::arg("spacing") ) ); } { //::SireMM::GridFF::setLJCutoff typedef void ( ::SireMM::GridFF::*setLJCutoff_function_type )( ::SireUnits::Dimension::Length ) ; setLJCutoff_function_type setLJCutoff_function_value( &::SireMM::GridFF::setLJCutoff ); GridFF_exposer.def( "setLJCutoff" , setLJCutoff_function_value , ( bp::arg("cutoff") ) ); } { //::SireMM::GridFF::setReactionFieldDielectric typedef bool ( ::SireMM::GridFF::*setReactionFieldDielectric_function_type )( double ) ; setReactionFieldDielectric_function_type setReactionFieldDielectric_function_value( &::SireMM::GridFF::setReactionFieldDielectric ); GridFF_exposer.def( "setReactionFieldDielectric" , setReactionFieldDielectric_function_value , ( bp::arg("dielectric") ) ); } { //::SireMM::GridFF::setShiftElectrostatics typedef bool ( ::SireMM::GridFF::*setShiftElectrostatics_function_type )( bool ) ; setShiftElectrostatics_function_type setShiftElectrostatics_function_value( &::SireMM::GridFF::setShiftElectrostatics ); GridFF_exposer.def( "setShiftElectrostatics" , setShiftElectrostatics_function_value , ( bp::arg("on") ) ); } { //::SireMM::GridFF::setUseReactionField typedef bool ( ::SireMM::GridFF::*setUseReactionField_function_type )( bool ) ; setUseReactionField_function_type setUseReactionField_function_value( &::SireMM::GridFF::setUseReactionField ); GridFF_exposer.def( "setUseReactionField" , setUseReactionField_function_value , ( bp::arg("on") ) ); } { //::SireMM::GridFF::spacing typedef ::SireUnits::Dimension::Length ( ::SireMM::GridFF::*spacing_function_type )( ) const; spacing_function_type spacing_function_value( &::SireMM::GridFF::spacing ); GridFF_exposer.def( "spacing" , spacing_function_value ); } { //::SireMM::GridFF::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::GridFF::typeName ); GridFF_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::GridFF::what typedef char const * ( ::SireMM::GridFF::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::GridFF::what ); GridFF_exposer.def( "what" , what_function_value ); } GridFF_exposer.staticmethod( "typeName" ); GridFF_exposer.def( "__copy__", &__copy__); GridFF_exposer.def( "__deepcopy__", &__copy__); GridFF_exposer.def( "clone", &__copy__); GridFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::GridFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); GridFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::GridFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); GridFF_exposer.def( "__str__", &__str__< ::SireMM::GridFF > ); GridFF_exposer.def( "__repr__", &__str__< ::SireMM::GridFF > ); GridFF_exposer.def( "__len__", &__len_count< ::SireMM::GridFF > ); } }
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 > ); } }