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_RestraintFF_class(){ { //::SireMM::RestraintFF typedef bp::class_< SireMM::RestraintFF, bp::bases< SireFF::FF3D, SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > RestraintFF_exposer_t; RestraintFF_exposer_t RestraintFF_exposer = RestraintFF_exposer_t( "RestraintFF", bp::init< >() ); bp::scope RestraintFF_scope( RestraintFF_exposer ); RestraintFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) ); RestraintFF_exposer.def( bp::init< SireMM::RestraintFF const & >(( bp::arg("other") )) ); { //::SireMM::RestraintFF::add typedef bool ( ::SireMM::RestraintFF::*add_function_type )( ::SireMM::Restraint3D const & ) ; add_function_type add_function_value( &::SireMM::RestraintFF::add ); RestraintFF_exposer.def( "add" , add_function_value , ( bp::arg("restraint") ) ); } { //::SireMM::RestraintFF::builtinSymbols typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*builtinSymbols_function_type )( ) const; builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::RestraintFF::builtinSymbols ); RestraintFF_exposer.def( "builtinSymbols" , builtinSymbols_function_value ); } { //::SireMM::RestraintFF::components typedef ::SireMM::RestraintComponent const & ( ::SireMM::RestraintFF::*components_function_type )( ) const; components_function_type components_function_value( &::SireMM::RestraintFF::components ); RestraintFF_exposer.def( "components" , components_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::RestraintFF::contains typedef bool ( ::SireMM::RestraintFF::*contains_function_type )( ::SireMM::Restraint3D const & ) const; contains_function_type contains_function_value( &::SireMM::RestraintFF::contains ); RestraintFF_exposer.def( "contains" , contains_function_value , ( bp::arg("restraint") ) ); } { //::SireMM::RestraintFF::containsProperty typedef bool ( ::SireMM::RestraintFF::*containsProperty_function_type )( ::QString const & ) const; containsProperty_function_type containsProperty_function_value( &::SireMM::RestraintFF::containsProperty ); RestraintFF_exposer.def( "containsProperty" , containsProperty_function_value , ( bp::arg("name") ) ); } { //::SireMM::RestraintFF::differentiate typedef ::SireMM::RestraintFF ( ::SireMM::RestraintFF::*differentiate_function_type )( ::SireCAS::Symbol const & ) const; differentiate_function_type differentiate_function_value( &::SireMM::RestraintFF::differentiate ); RestraintFF_exposer.def( "differentiate" , differentiate_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::RestraintFF::field typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,double ) ; field_function_type field_function_value( &::SireMM::RestraintFF::field ); RestraintFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) ); } { //::SireMM::RestraintFF::field typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ; field_function_type field_function_value( &::SireMM::RestraintFF::field ); RestraintFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) ); } { //::SireMM::RestraintFF::field typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::SireMM::RestraintFF::field ); RestraintFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::SireMM::RestraintFF::field typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; field_function_type field_function_value( &::SireMM::RestraintFF::field ); RestraintFF_exposer.def( "field" , field_function_value , ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) ); } { //::SireMM::RestraintFF::force typedef void ( ::SireMM::RestraintFF::*force_function_type )( ::SireFF::ForceTable &,double ) ; force_function_type force_function_value( &::SireMM::RestraintFF::force ); RestraintFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) ); } { //::SireMM::RestraintFF::force typedef void ( ::SireMM::RestraintFF::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ; force_function_type force_function_value( &::SireMM::RestraintFF::force ); RestraintFF_exposer.def( "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) ); } { //::SireMM::RestraintFF::getValue typedef double ( ::SireMM::RestraintFF::*getValue_function_type )( ::SireCAS::Symbol const & ) const; getValue_function_type getValue_function_value( &::SireMM::RestraintFF::getValue ); RestraintFF_exposer.def( "getValue" , getValue_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::RestraintFF::hasValue typedef bool ( ::SireMM::RestraintFF::*hasValue_function_type )( ::SireCAS::Symbol const & ) const; hasValue_function_type hasValue_function_value( &::SireMM::RestraintFF::hasValue ); RestraintFF_exposer.def( "hasValue" , hasValue_function_value , ( bp::arg("symbol") ) ); } { //::SireMM::RestraintFF::mustNowRecalculateFromScratch typedef void ( ::SireMM::RestraintFF::*mustNowRecalculateFromScratch_function_type )( ) ; mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::RestraintFF::mustNowRecalculateFromScratch ); RestraintFF_exposer.def( "mustNowRecalculateFromScratch" , mustNowRecalculateFromScratch_function_value ); } { //::SireMM::RestraintFF::nRestraints typedef int ( ::SireMM::RestraintFF::*nRestraints_function_type )( ) const; nRestraints_function_type nRestraints_function_value( &::SireMM::RestraintFF::nRestraints ); RestraintFF_exposer.def( "nRestraints" , nRestraints_function_value ); } RestraintFF_exposer.def( bp::self != bp::self ); { //::SireMM::RestraintFF::operator= typedef ::SireMM::RestraintFF & ( ::SireMM::RestraintFF::*assign_function_type )( ::SireMM::RestraintFF const & ) ; assign_function_type assign_function_value( &::SireMM::RestraintFF::operator= ); RestraintFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } RestraintFF_exposer.def( bp::self == bp::self ); { //::SireMM::RestraintFF::potential typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,double ) ; potential_function_type potential_function_value( &::SireMM::RestraintFF::potential ); RestraintFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) ); } { //::SireMM::RestraintFF::potential typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ; potential_function_type potential_function_value( &::SireMM::RestraintFF::potential ); RestraintFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) ); } { //::SireMM::RestraintFF::potential typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireMM::RestraintFF::potential ); RestraintFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireMM::RestraintFF::potential typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireMM::RestraintFF::potential ); RestraintFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireMM::RestraintFF::properties typedef ::SireBase::Properties const & ( ::SireMM::RestraintFF::*properties_function_type )( ) const; properties_function_type properties_function_value( &::SireMM::RestraintFF::properties ); RestraintFF_exposer.def( "properties" , properties_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMM::RestraintFF::property typedef ::SireBase::Property const & ( ::SireMM::RestraintFF::*property_function_type )( ::QString const & ) const; property_function_type property_function_value( &::SireMM::RestraintFF::property ); RestraintFF_exposer.def( "property" , property_function_value , ( bp::arg("name") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::RestraintFF::remove typedef bool ( ::SireMM::RestraintFF::*remove_function_type )( ::SireMM::Restraint3D const & ) ; remove_function_type remove_function_value( &::SireMM::RestraintFF::remove ); RestraintFF_exposer.def( "remove" , remove_function_value , ( bp::arg("restraint") ) ); } { //::SireMM::RestraintFF::removeRestraintAt typedef void ( ::SireMM::RestraintFF::*removeRestraintAt_function_type )( int ) ; removeRestraintAt_function_type removeRestraintAt_function_value( &::SireMM::RestraintFF::removeRestraintAt ); RestraintFF_exposer.def( "removeRestraintAt" , removeRestraintAt_function_value , ( bp::arg("i") ) ); } { //::SireMM::RestraintFF::restraintAt typedef ::SireMM::Restraint3D const & ( ::SireMM::RestraintFF::*restraintAt_function_type )( int ) const; restraintAt_function_type restraintAt_function_value( &::SireMM::RestraintFF::restraintAt ); RestraintFF_exposer.def( "restraintAt" , restraintAt_function_value , ( bp::arg("i") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::RestraintFF::restraints typedef ::QVector< SireBase::PropPtr< SireMM::Restraint3D > > ( ::SireMM::RestraintFF::*restraints_function_type )( ) const; restraints_function_type restraints_function_value( &::SireMM::RestraintFF::restraints ); RestraintFF_exposer.def( "restraints" , restraints_function_value ); } { //::SireMM::RestraintFF::setProperty typedef bool ( ::SireMM::RestraintFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ; setProperty_function_type setProperty_function_value( &::SireMM::RestraintFF::setProperty ); RestraintFF_exposer.def( "setProperty" , setProperty_function_value , ( bp::arg("name"), bp::arg("property") ) ); } { //::SireMM::RestraintFF::setSpace typedef bool ( ::SireMM::RestraintFF::*setSpace_function_type )( ::SireVol::Space const & ) ; setSpace_function_type setSpace_function_value( &::SireMM::RestraintFF::setSpace ); RestraintFF_exposer.def( "setSpace" , setSpace_function_value , ( bp::arg("space") ) ); } { //::SireMM::RestraintFF::setValue typedef bool ( ::SireMM::RestraintFF::*setValue_function_type )( ::SireCAS::Symbol const &,double ) ; setValue_function_type setValue_function_value( &::SireMM::RestraintFF::setValue ); RestraintFF_exposer.def( "setValue" , setValue_function_value , ( bp::arg("symbol"), bp::arg("value") ) ); } { //::SireMM::RestraintFF::space typedef ::SireVol::Space const & ( ::SireMM::RestraintFF::*space_function_type )( ) const; space_function_type space_function_value( &::SireMM::RestraintFF::space ); RestraintFF_exposer.def( "space" , space_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::RestraintFF::symbols typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*symbols_function_type )( ) const; symbols_function_type symbols_function_value( &::SireMM::RestraintFF::symbols ); RestraintFF_exposer.def( "symbols" , symbols_function_value ); } { //::SireMM::RestraintFF::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::RestraintFF::typeName ); RestraintFF_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::RestraintFF::userSymbols typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*userSymbols_function_type )( ) const; userSymbols_function_type userSymbols_function_value( &::SireMM::RestraintFF::userSymbols ); RestraintFF_exposer.def( "userSymbols" , userSymbols_function_value ); } { //::SireMM::RestraintFF::userValues typedef ::SireCAS::Values ( ::SireMM::RestraintFF::*userValues_function_type )( ) const; userValues_function_type userValues_function_value( &::SireMM::RestraintFF::userValues ); RestraintFF_exposer.def( "userValues" , userValues_function_value ); } RestraintFF_exposer.staticmethod( "typeName" ); RestraintFF_exposer.def( "__copy__", &__copy__); RestraintFF_exposer.def( "__deepcopy__", &__copy__); RestraintFF_exposer.def( "clone", &__copy__); RestraintFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::RestraintFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); RestraintFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::RestraintFF >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); RestraintFF_exposer.def( "__str__", &__str__< ::SireMM::RestraintFF > ); RestraintFF_exposer.def( "__repr__", &__str__< ::SireMM::RestraintFF > ); RestraintFF_exposer.def( "__len__", &__len_count< ::SireMM::RestraintFF > ); } }
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 > ); } }