void register_InterGroupLJFF_class() { { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > typedef bp::class_< SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >, bp::bases< SireFF::FF3D, SireFF::Inter2B2GFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> >, SireMM::LJPotentialInterface<SireMM::InterLJPotential>, SireFF::G2FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > InterGroupLJFF_exposer_t; InterGroupLJFF_exposer_t InterGroupLJFF_exposer = InterGroupLJFF_exposer_t( "InterGroupLJFF", bp::init< >() ); bp::scope InterGroupLJFF_scope( InterGroupLJFF_exposer ); InterGroupLJFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) ); InterGroupLJFF_exposer.def( bp::init< SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > const & >(( bp::arg("other") )) ); { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*energy_function_type )( ::SireFF::EnergyTable &,double ) ; energy_function_type energy_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy ); InterGroupLJFF_exposer.def( "energy" , energy_function_value , ( bp::arg("energytable"), bp::arg("scale_energy")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*energy_function_type )( ::SireFF::EnergyTable &,::SireCAS::Symbol const &,double ) ; energy_function_type energy_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy ); InterGroupLJFF_exposer.def( "energy" , energy_function_value , ( bp::arg("energytable"), bp::arg("symbol"), bp::arg("scale_energy")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,double ) ; field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field ); InterGroupLJFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ; field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field ); InterGroupLJFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field ); InterGroupLJFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field ); InterGroupLJFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*force_function_type )( ::SireFF::ForceTable &,double ) ; force_function_type force_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force ); InterGroupLJFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ; force_function_type force_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force ); InterGroupLJFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) ); } InterGroupLJFF_exposer.def( bp::self != bp::self ); { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::operator= typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > & ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*assign_function_type )( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > const & ) ; assign_function_type assign_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::operator= ); InterGroupLJFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } InterGroupLJFF_exposer.def( bp::self == bp::self ); { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential ); InterGroupLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential ); InterGroupLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential ); InterGroupLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential ); InterGroupLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::typeName typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::typeName ); InterGroupLJFF_exposer.def( "typeName" , typeName_function_value ); } { //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::what typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t; typedef char const * ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*what_function_type )( ) const; what_function_type what_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::what ); InterGroupLJFF_exposer.def( "what" , what_function_value ); } InterGroupLJFF_exposer.staticmethod( "typeName" ); InterGroupLJFF_exposer.def( "__copy__", &__copy__); InterGroupLJFF_exposer.def( "__deepcopy__", &__copy__); InterGroupLJFF_exposer.def( "clone", &__copy__); InterGroupLJFF_exposer.def( "__str__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > ); InterGroupLJFF_exposer.def( "__repr__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > ); InterGroupLJFF_exposer.def( "__len__", &__len_count< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > ); } }
void register_CLJ14Group_class(){ { //::SireMM::CLJ14Group typedef bp::class_< SireMM::CLJ14Group > CLJ14Group_exposer_t; CLJ14Group_exposer_t CLJ14Group_exposer = CLJ14Group_exposer_t( "CLJ14Group", bp::init< >() ); bp::scope CLJ14Group_scope( CLJ14Group_exposer ); CLJ14Group_exposer.def( bp::init< SireMol::MoleculeView const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecule"), bp::arg("map")=SireBase::PropertyMap() )) ); CLJ14Group_exposer.def( bp::init< SireMol::MoleculeView const &, SireMM::CLJFunction::COMBINING_RULES, bool, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecule"), bp::arg("combining_rules"), bp::arg("is_strict"), bp::arg("map")=SireBase::PropertyMap() )) ); CLJ14Group_exposer.def( bp::init< SireMM::CLJ14Group const & >(( bp::arg("other") )) ); { //::SireMM::CLJ14Group::add typedef void ( ::SireMM::CLJ14Group::*add_function_type )( ::SireMol::MoleculeView const & ) ; add_function_type add_function_value( &::SireMM::CLJ14Group::add ); CLJ14Group_exposer.def( "add" , add_function_value , ( bp::arg("new_molecule") ) ); } { //::SireMM::CLJ14Group::add typedef void ( ::SireMM::CLJ14Group::*add_function_type )( ::SireMol::AtomSelection const & ) ; add_function_type add_function_value( &::SireMM::CLJ14Group::add ); CLJ14Group_exposer.def( "add" , add_function_value , ( bp::arg("new_selection") ) ); } { //::SireMM::CLJ14Group::combiningRules typedef ::SireMM::CLJFunction::COMBINING_RULES ( ::SireMM::CLJ14Group::*combiningRules_function_type )( ) const; combiningRules_function_type combiningRules_function_value( &::SireMM::CLJ14Group::combiningRules ); CLJ14Group_exposer.def( "combiningRules" , combiningRules_function_value ); } { //::SireMM::CLJ14Group::energy typedef ::boost::tuples::tuple< double, double, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type > ( ::SireMM::CLJ14Group::*energy_function_type )( ) ; energy_function_type energy_function_value( &::SireMM::CLJ14Group::energy ); CLJ14Group_exposer.def( "energy" , energy_function_value ); } { //::SireMM::CLJ14Group::isNull typedef bool ( ::SireMM::CLJ14Group::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMM::CLJ14Group::isNull ); CLJ14Group_exposer.def( "isNull" , isNull_function_value ); } { //::SireMM::CLJ14Group::isStrict typedef bool ( ::SireMM::CLJ14Group::*isStrict_function_type )( ) const; isStrict_function_type isStrict_function_value( &::SireMM::CLJ14Group::isStrict ); CLJ14Group_exposer.def( "isStrict" , isStrict_function_value ); } { //::SireMM::CLJ14Group::molecule typedef ::SireMol::MoleculeView const & ( ::SireMM::CLJ14Group::*molecule_function_type )( ) const; molecule_function_type molecule_function_value( &::SireMM::CLJ14Group::molecule ); CLJ14Group_exposer.def( "molecule" , molecule_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::CLJ14Group::mustNowRecalculateFromScratch typedef void ( ::SireMM::CLJ14Group::*mustNowRecalculateFromScratch_function_type )( ) ; mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::CLJ14Group::mustNowRecalculateFromScratch ); CLJ14Group_exposer.def( "mustNowRecalculateFromScratch" , mustNowRecalculateFromScratch_function_value ); } { //::SireMM::CLJ14Group::mustReallyRecalculateFromScratch typedef void ( ::SireMM::CLJ14Group::*mustReallyRecalculateFromScratch_function_type )( ) ; mustReallyRecalculateFromScratch_function_type mustReallyRecalculateFromScratch_function_value( &::SireMM::CLJ14Group::mustReallyRecalculateFromScratch ); CLJ14Group_exposer.def( "mustReallyRecalculateFromScratch" , mustReallyRecalculateFromScratch_function_value ); } CLJ14Group_exposer.def( bp::self != bp::self ); { //::SireMM::CLJ14Group::operator= typedef ::SireMM::CLJ14Group & ( ::SireMM::CLJ14Group::*assign_function_type )( ::SireMM::CLJ14Group const & ) ; assign_function_type assign_function_value( &::SireMM::CLJ14Group::operator= ); CLJ14Group_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJ14Group_exposer.def( bp::self == bp::self ); { //::SireMM::CLJ14Group::propertyMap typedef ::SireBase::PropertyMap ( ::SireMM::CLJ14Group::*propertyMap_function_type )( ) const; propertyMap_function_type propertyMap_function_value( &::SireMM::CLJ14Group::propertyMap ); CLJ14Group_exposer.def( "propertyMap" , propertyMap_function_value ); } { //::SireMM::CLJ14Group::recalculatingFromScratch typedef bool ( ::SireMM::CLJ14Group::*recalculatingFromScratch_function_type )( ) const; recalculatingFromScratch_function_type recalculatingFromScratch_function_value( &::SireMM::CLJ14Group::recalculatingFromScratch ); CLJ14Group_exposer.def( "recalculatingFromScratch" , recalculatingFromScratch_function_value ); } { //::SireMM::CLJ14Group::remove typedef void ( ::SireMM::CLJ14Group::*remove_function_type )( ::SireMol::AtomSelection const & ) ; remove_function_type remove_function_value( &::SireMM::CLJ14Group::remove ); CLJ14Group_exposer.def( "remove" , remove_function_value , ( bp::arg("new_selection") ) ); } { //::SireMM::CLJ14Group::remove typedef void ( ::SireMM::CLJ14Group::*remove_function_type )( ::SireMol::MoleculeView const & ) ; remove_function_type remove_function_value( &::SireMM::CLJ14Group::remove ); CLJ14Group_exposer.def( "remove" , remove_function_value , ( bp::arg("new_molecule") ) ); } { //::SireMM::CLJ14Group::setArithmeticCombiningRules typedef void ( ::SireMM::CLJ14Group::*setArithmeticCombiningRules_function_type )( bool ) ; setArithmeticCombiningRules_function_type setArithmeticCombiningRules_function_value( &::SireMM::CLJ14Group::setArithmeticCombiningRules ); CLJ14Group_exposer.def( "setArithmeticCombiningRules" , setArithmeticCombiningRules_function_value , ( bp::arg("on") ) ); } { //::SireMM::CLJ14Group::setCombiningRules typedef void ( ::SireMM::CLJ14Group::*setCombiningRules_function_type )( ::SireMM::CLJFunction::COMBINING_RULES ) ; setCombiningRules_function_type setCombiningRules_function_value( &::SireMM::CLJ14Group::setCombiningRules ); CLJ14Group_exposer.def( "setCombiningRules" , setCombiningRules_function_value , ( bp::arg("rules") ) ); } { //::SireMM::CLJ14Group::setGeometricCombiningRules typedef void ( ::SireMM::CLJ14Group::*setGeometricCombiningRules_function_type )( bool ) ; setGeometricCombiningRules_function_type setGeometricCombiningRules_function_value( &::SireMM::CLJ14Group::setGeometricCombiningRules ); CLJ14Group_exposer.def( "setGeometricCombiningRules" , setGeometricCombiningRules_function_value , ( bp::arg("on") ) ); } { //::SireMM::CLJ14Group::setStrict typedef bool ( ::SireMM::CLJ14Group::*setStrict_function_type )( bool ) ; setStrict_function_type setStrict_function_value( &::SireMM::CLJ14Group::setStrict ); CLJ14Group_exposer.def( "setStrict" , setStrict_function_value , ( bp::arg("isstrict") ) ); } { //::SireMM::CLJ14Group::toString typedef ::QString ( ::SireMM::CLJ14Group::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::CLJ14Group::toString ); CLJ14Group_exposer.def( "toString" , toString_function_value ); } { //::SireMM::CLJ14Group::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJ14Group::typeName ); CLJ14Group_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::CLJ14Group::update typedef void ( ::SireMM::CLJ14Group::*update_function_type )( ::SireMol::MoleculeView const & ) ; update_function_type update_function_value( &::SireMM::CLJ14Group::update ); CLJ14Group_exposer.def( "update" , update_function_value , ( bp::arg("new_molecule") ) ); } { //::SireMM::CLJ14Group::updateSelection typedef void ( ::SireMM::CLJ14Group::*updateSelection_function_type )( ::SireMol::AtomSelection const & ) ; updateSelection_function_type updateSelection_function_value( &::SireMM::CLJ14Group::updateSelection ); CLJ14Group_exposer.def( "updateSelection" , updateSelection_function_value , ( bp::arg("selection") ) ); } { //::SireMM::CLJ14Group::usingArithmeticCombiningRules typedef bool ( ::SireMM::CLJ14Group::*usingArithmeticCombiningRules_function_type )( ) const; usingArithmeticCombiningRules_function_type usingArithmeticCombiningRules_function_value( &::SireMM::CLJ14Group::usingArithmeticCombiningRules ); CLJ14Group_exposer.def( "usingArithmeticCombiningRules" , usingArithmeticCombiningRules_function_value ); } { //::SireMM::CLJ14Group::usingGeometricCombiningRules typedef bool ( ::SireMM::CLJ14Group::*usingGeometricCombiningRules_function_type )( ) const; usingGeometricCombiningRules_function_type usingGeometricCombiningRules_function_value( &::SireMM::CLJ14Group::usingGeometricCombiningRules ); CLJ14Group_exposer.def( "usingGeometricCombiningRules" , usingGeometricCombiningRules_function_value ); } { //::SireMM::CLJ14Group::what typedef char const * ( ::SireMM::CLJ14Group::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::CLJ14Group::what ); CLJ14Group_exposer.def( "what" , what_function_value ); } { //::SireMM::CLJ14Group::wouldChangeProperties typedef bool ( ::SireMM::CLJ14Group::*wouldChangeProperties_function_type )( ::SireBase::PropertyMap const & ) const; wouldChangeProperties_function_type wouldChangeProperties_function_value( &::SireMM::CLJ14Group::wouldChangeProperties ); CLJ14Group_exposer.def( "wouldChangeProperties" , wouldChangeProperties_function_value , ( bp::arg("map") ) ); } CLJ14Group_exposer.staticmethod( "typeName" ); CLJ14Group_exposer.def( "__copy__", &__copy__); CLJ14Group_exposer.def( "__deepcopy__", &__copy__); CLJ14Group_exposer.def( "clone", &__copy__); CLJ14Group_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJ14Group >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJ14Group_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJ14Group >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJ14Group_exposer.def( "__str__", &__str__< ::SireMM::CLJ14Group > ); CLJ14Group_exposer.def( "__repr__", &__str__< ::SireMM::CLJ14Group > ); } }
void register_QMFF_class(){ { //::Squire::QMFF typedef bp::class_< Squire::QMFF, bp::bases< SireFF::FF3D, SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > QMFF_exposer_t; QMFF_exposer_t QMFF_exposer = QMFF_exposer_t( "QMFF", bp::init< >() ); bp::scope QMFF_scope( QMFF_exposer ); QMFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) ); QMFF_exposer.def( bp::init< Squire::QMFF const & >(( bp::arg("other") )) ); { //::Squire::QMFF::components typedef ::Squire::QMComponent const & ( ::Squire::QMFF::*components_function_type )( ) const; components_function_type components_function_value( &::Squire::QMFF::components ); QMFF_exposer.def( "components" , components_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMFF::containsProperty typedef bool ( ::Squire::QMFF::*containsProperty_function_type )( ::QString const & ) const; containsProperty_function_type containsProperty_function_value( &::Squire::QMFF::containsProperty ); QMFF_exposer.def( "containsProperty" , containsProperty_function_value , ( bp::arg("name") ) ); } { //::Squire::QMFF::energy typedef void ( ::Squire::QMFF::*energy_function_type )( ::SireFF::EnergyTable &,double ) ; energy_function_type energy_function_value( &::Squire::QMFF::energy ); QMFF_exposer.def( "energy" , energy_function_value , ( bp::arg("energytable"), bp::arg("scale_energy")=1 ) ); } { //::Squire::QMFF::energy typedef void ( ::Squire::QMFF::*energy_function_type )( ::SireFF::EnergyTable &,::SireCAS::Symbol const &,double ) ; energy_function_type energy_function_value( &::Squire::QMFF::energy ); QMFF_exposer.def( "energy" , energy_function_value , ( bp::arg("energytable"), bp::arg("symbol"), bp::arg("scale_energy")=1 ) ); } { //::Squire::QMFF::energyCommandFile typedef ::QString ( ::Squire::QMFF::*energyCommandFile_function_type )( ) const; energyCommandFile_function_type energyCommandFile_function_value( &::Squire::QMFF::energyCommandFile ); QMFF_exposer.def( "energyCommandFile" , energyCommandFile_function_value ); } { //::Squire::QMFF::field typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,double ) ; field_function_type field_function_value( &::Squire::QMFF::field ); QMFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) ); } { //::Squire::QMFF::field typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ; field_function_type field_function_value( &::Squire::QMFF::field ); QMFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) ); } { //::Squire::QMFF::field typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::Squire::QMFF::field ); QMFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::Squire::QMFF::field typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::Squire::QMFF::field ); QMFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::Squire::QMFF::fieldCommandFile typedef ::QString ( ::Squire::QMFF::*fieldCommandFile_function_type )( ::SireFF::FieldTable const & ) const; fieldCommandFile_function_type fieldCommandFile_function_value( &::Squire::QMFF::fieldCommandFile ); QMFF_exposer.def( "fieldCommandFile" , fieldCommandFile_function_value , ( bp::arg("fieldtable") ) ); } { //::Squire::QMFF::fieldCommandFile typedef ::QString ( ::Squire::QMFF::*fieldCommandFile_function_type )( ::SireFF::FieldTable const &,::SireFF::Probe const & ) const; fieldCommandFile_function_type fieldCommandFile_function_value( &::Squire::QMFF::fieldCommandFile ); QMFF_exposer.def( "fieldCommandFile" , fieldCommandFile_function_value , ( bp::arg("fieldtable"), bp::arg("probe") ) ); } { //::Squire::QMFF::force typedef void ( ::Squire::QMFF::*force_function_type )( ::SireFF::ForceTable &,double ) ; force_function_type force_function_value( &::Squire::QMFF::force ); QMFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) ); } { //::Squire::QMFF::force typedef void ( ::Squire::QMFF::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ; force_function_type force_function_value( &::Squire::QMFF::force ); QMFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) ); } { //::Squire::QMFF::forceCommandFile typedef ::QString ( ::Squire::QMFF::*forceCommandFile_function_type )( ::SireFF::ForceTable const & ) const; forceCommandFile_function_type forceCommandFile_function_value( &::Squire::QMFF::forceCommandFile ); QMFF_exposer.def( "forceCommandFile" , forceCommandFile_function_value , ( bp::arg("forcetable") ) ); } { //::Squire::QMFF::mustNowRecalculateFromScratch typedef void ( ::Squire::QMFF::*mustNowRecalculateFromScratch_function_type )( ) ; mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::Squire::QMFF::mustNowRecalculateFromScratch ); QMFF_exposer.def( "mustNowRecalculateFromScratch" , mustNowRecalculateFromScratch_function_value ); } QMFF_exposer.def( bp::self != bp::self ); { //::Squire::QMFF::operator= typedef ::Squire::QMFF & ( ::Squire::QMFF::*assign_function_type )( ::Squire::QMFF const & ) ; assign_function_type assign_function_value( &::Squire::QMFF::operator= ); QMFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } QMFF_exposer.def( bp::self == bp::self ); { //::Squire::QMFF::parameters typedef ::SireFF::detail::AtomicParameters3D< SireMol::Element > ( ::Squire::QMFF::*parameters_function_type )( ) const; parameters_function_type parameters_function_value( &::Squire::QMFF::parameters ); QMFF_exposer.def( "parameters" , parameters_function_value ); } { //::Squire::QMFF::potential typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,double ) ; potential_function_type potential_function_value( &::Squire::QMFF::potential ); QMFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) ); } { //::Squire::QMFF::potential typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ; potential_function_type potential_function_value( &::Squire::QMFF::potential ); QMFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) ); } { //::Squire::QMFF::potential typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::Squire::QMFF::potential ); QMFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::Squire::QMFF::potential typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::Squire::QMFF::potential ); QMFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::Squire::QMFF::potentialCommandFile typedef ::QString ( ::Squire::QMFF::*potentialCommandFile_function_type )( ::SireFF::PotentialTable const & ) const; potentialCommandFile_function_type potentialCommandFile_function_value( &::Squire::QMFF::potentialCommandFile ); QMFF_exposer.def( "potentialCommandFile" , potentialCommandFile_function_value , ( bp::arg("pottable") ) ); } { //::Squire::QMFF::potentialCommandFile typedef ::QString ( ::Squire::QMFF::*potentialCommandFile_function_type )( ::SireFF::PotentialTable const &,::SireFF::Probe const & ) const; potentialCommandFile_function_type potentialCommandFile_function_value( &::Squire::QMFF::potentialCommandFile ); QMFF_exposer.def( "potentialCommandFile" , potentialCommandFile_function_value , ( bp::arg("pottable"), bp::arg("probe") ) ); } { //::Squire::QMFF::properties typedef ::SireBase::Properties const & ( ::Squire::QMFF::*properties_function_type )( ) const; properties_function_type properties_function_value( &::Squire::QMFF::properties ); QMFF_exposer.def( "properties" , properties_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::Squire::QMFF::property typedef ::SireBase::Property const & ( ::Squire::QMFF::*property_function_type )( ::QString const & ) const; property_function_type property_function_value( &::Squire::QMFF::property ); QMFF_exposer.def( "property" , property_function_value , ( bp::arg("name") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMFF::quantumProgram typedef ::Squire::QMProgram const & ( ::Squire::QMFF::*quantumProgram_function_type )( ) const; quantumProgram_function_type quantumProgram_function_value( &::Squire::QMFF::quantumProgram ); QMFF_exposer.def( "quantumProgram" , quantumProgram_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMFF::setProperty typedef bool ( ::Squire::QMFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ; setProperty_function_type setProperty_function_value( &::Squire::QMFF::setProperty ); QMFF_exposer.def( "setProperty" , setProperty_function_value , ( bp::arg("name"), bp::arg("property") ) ); } { //::Squire::QMFF::setQuantumProgram typedef bool ( ::Squire::QMFF::*setQuantumProgram_function_type )( ::Squire::QMProgram const & ) ; setQuantumProgram_function_type setQuantumProgram_function_value( &::Squire::QMFF::setQuantumProgram ); QMFF_exposer.def( "setQuantumProgram" , setQuantumProgram_function_value , ( bp::arg("qmprog") ) ); } { //::Squire::QMFF::setSpace typedef bool ( ::Squire::QMFF::*setSpace_function_type )( ::SireVol::Space const & ) ; setSpace_function_type setSpace_function_value( &::Squire::QMFF::setSpace ); QMFF_exposer.def( "setSpace" , setSpace_function_value , ( bp::arg("space") ) ); } { //::Squire::QMFF::setZeroEnergy typedef bool ( ::Squire::QMFF::*setZeroEnergy_function_type )( ::SireUnits::Dimension::MolarEnergy ) ; setZeroEnergy_function_type setZeroEnergy_function_value( &::Squire::QMFF::setZeroEnergy ); QMFF_exposer.def( "setZeroEnergy" , setZeroEnergy_function_value , ( bp::arg("zero_energy") ) ); } { //::Squire::QMFF::space typedef ::SireVol::Space const & ( ::Squire::QMFF::*space_function_type )( ) const; space_function_type space_function_value( &::Squire::QMFF::space ); QMFF_exposer.def( "space" , space_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMFF::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::QMFF::typeName ); QMFF_exposer.def( "typeName" , typeName_function_value ); } { //::Squire::QMFF::what typedef char const * ( ::Squire::QMFF::*what_function_type )( ) const; what_function_type what_function_value( &::Squire::QMFF::what ); QMFF_exposer.def( "what" , what_function_value ); } { //::Squire::QMFF::zeroEnergy typedef ::SireUnits::Dimension::MolarEnergy ( ::Squire::QMFF::*zeroEnergy_function_type )( ) const; zeroEnergy_function_type zeroEnergy_function_value( &::Squire::QMFF::zeroEnergy ); QMFF_exposer.def( "zeroEnergy" , zeroEnergy_function_value ); } QMFF_exposer.staticmethod( "typeName" ); QMFF_exposer.def( "__copy__", &__copy__); QMFF_exposer.def( "__deepcopy__", &__copy__); QMFF_exposer.def( "clone", &__copy__); QMFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMFF_exposer.def( "__str__", &__str__< ::Squire::QMFF > ); QMFF_exposer.def( "__repr__", &__str__< ::Squire::QMFF > ); QMFF_exposer.def( "__len__", &__len_count< ::Squire::QMFF > ); } }
void register_NullRestraint_class() { { //::SireMM::NullRestraint typedef bp::class_< SireMM::NullRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > NullRestraint_exposer_t; NullRestraint_exposer_t NullRestraint_exposer = NullRestraint_exposer_t( "NullRestraint", bp::init< >() ); bp::scope NullRestraint_scope( NullRestraint_exposer ); NullRestraint_exposer.def( bp::init< SireMM::NullRestraint const & >(( bp::arg("other") )) ); { //::SireMM::NullRestraint::builtinSymbols typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*builtinSymbols_function_type )( ) const; builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::NullRestraint::builtinSymbols ); NullRestraint_exposer.def( "builtinSymbols" , builtinSymbols_function_value ); } { //::SireMM::NullRestraint::builtinValues typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*builtinValues_function_type )( ) const; builtinValues_function_type builtinValues_function_value( &::SireMM::NullRestraint::builtinValues ); NullRestraint_exposer.def( "builtinValues" , builtinValues_function_value ); } { //::SireMM::NullRestraint::contains typedef bool ( ::SireMM::NullRestraint::*contains_function_type )( ::SireMol::MolNum ) const; contains_function_type contains_function_value( &::SireMM::NullRestraint::contains ); NullRestraint_exposer.def( "contains" , contains_function_value , ( bp::arg("molnum") ) ); } { //::SireMM::NullRestraint::contains typedef bool ( ::SireMM::NullRestraint::*contains_function_type )( ::SireMol::MolID const & ) const; contains_function_type contains_function_value( &::SireMM::NullRestraint::contains ); NullRestraint_exposer.def( "contains" , contains_function_value , ( bp::arg("molid") ) ); } { //::SireMM::NullRestraint::differentiate typedef ::SireMM::RestraintPtr ( ::SireMM::NullRestraint::*differentiate_function_type )( ::SireCAS::Symbol const & ) const; differentiate_function_type differentiate_function_value( &::SireMM::NullRestraint::differentiate ); NullRestraint_exposer.def( "differentiate" , differentiate_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::NullRestraint::energy typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMM::NullRestraint::*energy_function_type )( ) const; energy_function_type energy_function_value( &::SireMM::NullRestraint::energy ); NullRestraint_exposer.def( "energy" , energy_function_value ); } { //::SireMM::NullRestraint::force typedef void ( ::SireMM::NullRestraint::*force_function_type )( ::SireFF::MolForceTable &,double ) const; force_function_type force_function_value( &::SireMM::NullRestraint::force ); NullRestraint_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) ); } { //::SireMM::NullRestraint::force typedef void ( ::SireMM::NullRestraint::*force_function_type )( ::SireFF::ForceTable &,double ) const; force_function_type force_function_value( &::SireMM::NullRestraint::force ); NullRestraint_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) ); } { //::SireMM::NullRestraint::getValue typedef double ( ::SireMM::NullRestraint::*getValue_function_type )( ::SireCAS::Symbol const & ) const; getValue_function_type getValue_function_value( &::SireMM::NullRestraint::getValue ); NullRestraint_exposer.def( "getValue" , getValue_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::NullRestraint::hasValue typedef bool ( ::SireMM::NullRestraint::*hasValue_function_type )( ::SireCAS::Symbol const & ) const; hasValue_function_type hasValue_function_value( &::SireMM::NullRestraint::hasValue ); NullRestraint_exposer.def( "hasValue" , hasValue_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::NullRestraint::molecules typedef ::SireMol::Molecules ( ::SireMM::NullRestraint::*molecules_function_type )( ) const; molecules_function_type molecules_function_value( &::SireMM::NullRestraint::molecules ); NullRestraint_exposer.def( "molecules" , molecules_function_value ); } NullRestraint_exposer.def( bp::self != bp::self ); { //::SireMM::NullRestraint::operator= typedef ::SireMM::NullRestraint & ( ::SireMM::NullRestraint::*assign_function_type )( ::SireMM::NullRestraint const & ) ; assign_function_type assign_function_value( &::SireMM::NullRestraint::operator= ); NullRestraint_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } NullRestraint_exposer.def( bp::self == bp::self ); { //::SireMM::NullRestraint::setValue typedef void ( ::SireMM::NullRestraint::*setValue_function_type )( ::SireCAS::Symbol const &,double ) ; setValue_function_type setValue_function_value( &::SireMM::NullRestraint::setValue ); NullRestraint_exposer.def( "setValue" , setValue_function_value , ( bp::arg("symbol"), bp::arg("value") ) ); } { //::SireMM::NullRestraint::symbols typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*symbols_function_type )( ) const; symbols_function_type symbols_function_value( &::SireMM::NullRestraint::symbols ); NullRestraint_exposer.def( "symbols" , symbols_function_value ); } { //::SireMM::NullRestraint::toString typedef ::QString ( ::SireMM::NullRestraint::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::NullRestraint::toString ); NullRestraint_exposer.def( "toString" , toString_function_value ); } { //::SireMM::NullRestraint::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::NullRestraint::typeName ); NullRestraint_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::NullRestraint::update typedef void ( ::SireMM::NullRestraint::*update_function_type )( ::SireMol::MoleculeData const & ) ; update_function_type update_function_value( &::SireMM::NullRestraint::update ); NullRestraint_exposer.def( "update" , update_function_value , ( bp::arg("moldata") ) ); } { //::SireMM::NullRestraint::update typedef void ( ::SireMM::NullRestraint::*update_function_type )( ::SireMol::Molecules const & ) ; update_function_type update_function_value( &::SireMM::NullRestraint::update ); NullRestraint_exposer.def( "update" , update_function_value , ( bp::arg("molecules") ) ); } { //::SireMM::NullRestraint::userSymbols typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*userSymbols_function_type )( ) const; userSymbols_function_type userSymbols_function_value( &::SireMM::NullRestraint::userSymbols ); NullRestraint_exposer.def( "userSymbols" , userSymbols_function_value ); } { //::SireMM::NullRestraint::userValues typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*userValues_function_type )( ) const; userValues_function_type userValues_function_value( &::SireMM::NullRestraint::userValues ); NullRestraint_exposer.def( "userValues" , userValues_function_value ); } { //::SireMM::NullRestraint::usesMoleculesIn typedef bool ( ::SireMM::NullRestraint::*usesMoleculesIn_function_type )( ::SireFF::ForceTable const & ) const; usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::NullRestraint::usesMoleculesIn ); NullRestraint_exposer.def( "usesMoleculesIn" , usesMoleculesIn_function_value , ( bp::arg("forcetable") ) ); } { //::SireMM::NullRestraint::usesMoleculesIn typedef bool ( ::SireMM::NullRestraint::*usesMoleculesIn_function_type )( ::SireMol::Molecules const & ) const; usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::NullRestraint::usesMoleculesIn ); NullRestraint_exposer.def( "usesMoleculesIn" , usesMoleculesIn_function_value , ( bp::arg("molecules") ) ); } { //::SireMM::NullRestraint::values typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*values_function_type )( ) const; values_function_type values_function_value( &::SireMM::NullRestraint::values ); NullRestraint_exposer.def( "values" , values_function_value ); } NullRestraint_exposer.staticmethod( "typeName" ); NullRestraint_exposer.def( "__copy__", &__copy__); NullRestraint_exposer.def( "__deepcopy__", &__copy__); NullRestraint_exposer.def( "clone", &__copy__); NullRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::NullRestraint >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); NullRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::NullRestraint >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); NullRestraint_exposer.def( "__str__", &__str__< ::SireMM::NullRestraint > ); NullRestraint_exposer.def( "__repr__", &__str__< ::SireMM::NullRestraint > ); } }