void register_RBWorkspaceJM_class(){ { //::SireMove::RBWorkspaceJM typedef bp::class_< SireMove::RBWorkspaceJM, bp::bases< SireBase::Property > > RBWorkspaceJM_exposer_t; RBWorkspaceJM_exposer_t RBWorkspaceJM_exposer = RBWorkspaceJM_exposer_t( "RBWorkspaceJM", bp::init< bp::optional< SireBase::PropertyMap const & > >(( bp::arg("map")=SireBase::PropertyMap() )) ); bp::scope RBWorkspaceJM_scope( RBWorkspaceJM_exposer ); RBWorkspaceJM_exposer.def( bp::init< SireMol::MoleculeGroup const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() )) ); RBWorkspaceJM_exposer.def( bp::init< SireMove::RBWorkspaceJM const & >(( bp::arg("other") )) ); { //::SireMove::RBWorkspaceJM::beadAtomIntCoords typedef ::QVector< QVector< SireMaths::Vector > > ( ::SireMove::RBWorkspaceJM::*beadAtomIntCoords_function_type )( ) const; beadAtomIntCoords_function_type beadAtomIntCoords_function_value( &::SireMove::RBWorkspaceJM::beadAtomIntCoords ); RBWorkspaceJM_exposer.def( "beadAtomIntCoords" , beadAtomIntCoords_function_value ); } { //::SireMove::RBWorkspaceJM::beadCoordinatesArray typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadCoordinatesArray_function_type )( ) const; beadCoordinatesArray_function_type beadCoordinatesArray_function_value( &::SireMove::RBWorkspaceJM::beadCoordinatesArray ); RBWorkspaceJM_exposer.def( "beadCoordinatesArray" , beadCoordinatesArray_function_value ); } { //::SireMove::RBWorkspaceJM::beadEnergiesArray typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadEnergiesArray_function_type )( ) const; beadEnergiesArray_function_type beadEnergiesArray_function_value( &::SireMove::RBWorkspaceJM::beadEnergiesArray ); RBWorkspaceJM_exposer.def( "beadEnergiesArray" , beadEnergiesArray_function_value ); } { //::SireMove::RBWorkspaceJM::beadForcesArray typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadForcesArray_function_type )( ) const; beadForcesArray_function_type beadForcesArray_function_value( &::SireMove::RBWorkspaceJM::beadForcesArray ); RBWorkspaceJM_exposer.def( "beadForcesArray" , beadForcesArray_function_value ); } { //::SireMove::RBWorkspaceJM::beadOrientationArray typedef ::QVector< SireMaths::Quaternion > ( ::SireMove::RBWorkspaceJM::*beadOrientationArray_function_type )( ) const; beadOrientationArray_function_type beadOrientationArray_function_value( &::SireMove::RBWorkspaceJM::beadOrientationArray ); RBWorkspaceJM_exposer.def( "beadOrientationArray" , beadOrientationArray_function_value ); } { //::SireMove::RBWorkspaceJM::beadToWorldMatrix typedef ::QVector< SireMaths::Matrix > ( ::SireMove::RBWorkspaceJM::*beadToWorldMatrix_function_type )( ) const; beadToWorldMatrix_function_type beadToWorldMatrix_function_value( &::SireMove::RBWorkspaceJM::beadToWorldMatrix ); RBWorkspaceJM_exposer.def( "beadToWorldMatrix" , beadToWorldMatrix_function_value ); } { //::SireMove::RBWorkspaceJM::beadTorquesArray typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadTorquesArray_function_type )( ) const; beadTorquesArray_function_type beadTorquesArray_function_value( &::SireMove::RBWorkspaceJM::beadTorquesArray ); RBWorkspaceJM_exposer.def( "beadTorquesArray" , beadTorquesArray_function_value ); } { //::SireMove::RBWorkspaceJM::beadingProperty typedef ::SireBase::PropertyName ( ::SireMove::RBWorkspaceJM::*beadingProperty_function_type )( ) const; beadingProperty_function_type beadingProperty_function_value( &::SireMove::RBWorkspaceJM::beadingProperty ); RBWorkspaceJM_exposer.def( "beadingProperty" , beadingProperty_function_value ); } { //::SireMove::RBWorkspaceJM::calculateForces typedef bool ( ::SireMove::RBWorkspaceJM::*calculateForces_function_type )( ::SireCAS::Symbol const & ) ; calculateForces_function_type calculateForces_function_value( &::SireMove::RBWorkspaceJM::calculateForces ); RBWorkspaceJM_exposer.def( "calculateForces" , calculateForces_function_value , ( bp::arg("nrg_component") ) ); } { //::SireMove::RBWorkspaceJM::calculateRBForces typedef bool ( ::SireMove::RBWorkspaceJM::*calculateRBForces_function_type )( ) ; calculateRBForces_function_type calculateRBForces_function_value( &::SireMove::RBWorkspaceJM::calculateRBForces ); RBWorkspaceJM_exposer.def( "calculateRBForces" , calculateRBForces_function_value ); } { //::SireMove::RBWorkspaceJM::commitCoordinates typedef void ( ::SireMove::RBWorkspaceJM::*commitCoordinates_function_type )( ) ; commitCoordinates_function_type commitCoordinates_function_value( &::SireMove::RBWorkspaceJM::commitCoordinates ); RBWorkspaceJM_exposer.def( "commitCoordinates" , commitCoordinates_function_value ); } { //::SireMove::RBWorkspaceJM::commitCoordinatesAndVelocities typedef void ( ::SireMove::RBWorkspaceJM::*commitCoordinatesAndVelocities_function_type )( ) ; commitCoordinatesAndVelocities_function_type commitCoordinatesAndVelocities_function_value( &::SireMove::RBWorkspaceJM::commitCoordinatesAndVelocities ); RBWorkspaceJM_exposer.def( "commitCoordinatesAndVelocities" , commitCoordinatesAndVelocities_function_value ); } { //::SireMove::RBWorkspaceJM::commitVelocities typedef void ( ::SireMove::RBWorkspaceJM::*commitVelocities_function_type )( ) ; commitVelocities_function_type commitVelocities_function_value( &::SireMove::RBWorkspaceJM::commitVelocities ); RBWorkspaceJM_exposer.def( "commitVelocities" , commitVelocities_function_value ); } { //::SireMove::RBWorkspaceJM::kineticEnergy typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ) const; kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy ); RBWorkspaceJM_exposer.def( "kineticEnergy" , kineticEnergy_function_value ); } { //::SireMove::RBWorkspaceJM::kineticEnergy typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ::SireMol::MolNum ) const; kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy ); RBWorkspaceJM_exposer.def( "kineticEnergy" , kineticEnergy_function_value , ( bp::arg("molnum") ) ); } { //::SireMove::RBWorkspaceJM::kineticEnergy typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ::SireMol::MoleculeView const & ) const; kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy ); RBWorkspaceJM_exposer.def( "kineticEnergy" , kineticEnergy_function_value , ( bp::arg("molview") ) ); } { //::SireMove::RBWorkspaceJM::nAtoms typedef int ( ::SireMove::RBWorkspaceJM::*nAtoms_function_type )( int ) const; nAtoms_function_type nAtoms_function_value( &::SireMove::RBWorkspaceJM::nAtoms ); RBWorkspaceJM_exposer.def( "nAtoms" , nAtoms_function_value , ( bp::arg("ibead") ) ); } { //::SireMove::RBWorkspaceJM::nBeads typedef int ( ::SireMove::RBWorkspaceJM::*nBeads_function_type )( ) const; nBeads_function_type nBeads_function_value( &::SireMove::RBWorkspaceJM::nBeads ); RBWorkspaceJM_exposer.def( "nBeads" , nBeads_function_value ); } RBWorkspaceJM_exposer.def( bp::self != bp::self ); { //::SireMove::RBWorkspaceJM::operator= typedef ::SireMove::RBWorkspaceJM & ( ::SireMove::RBWorkspaceJM::*assign_function_type )( ::SireMove::RBWorkspaceJM const & ) ; assign_function_type assign_function_value( &::SireMove::RBWorkspaceJM::operator= ); RBWorkspaceJM_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } RBWorkspaceJM_exposer.def( bp::self == bp::self ); { //::SireMove::RBWorkspaceJM::regenerateVelocities typedef void ( ::SireMove::RBWorkspaceJM::*regenerateVelocities_function_type )( ::SireMove::VelocityGenerator const & ) ; regenerateVelocities_function_type regenerateVelocities_function_value( &::SireMove::RBWorkspaceJM::regenerateVelocities ); RBWorkspaceJM_exposer.def( "regenerateVelocities" , regenerateVelocities_function_value , ( bp::arg("generator") ) ); } { //::SireMove::RBWorkspaceJM::setForceTable typedef void ( ::SireMove::RBWorkspaceJM::*setForceTable_function_type )( ::SireFF::ForceTable & ) ; setForceTable_function_type setForceTable_function_value( &::SireMove::RBWorkspaceJM::setForceTable ); RBWorkspaceJM_exposer.def( "setForceTable" , setForceTable_function_value , ( bp::arg("forces") ) ); } { //::SireMove::RBWorkspaceJM::setSystem typedef bool ( ::SireMove::RBWorkspaceJM::*setSystem_function_type )( ::SireSystem::System const & ) ; setSystem_function_type setSystem_function_value( &::SireMove::RBWorkspaceJM::setSystem ); RBWorkspaceJM_exposer.def( "setSystem" , setSystem_function_value , ( bp::arg("system") ) ); } { //::SireMove::RBWorkspaceJM::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMove::RBWorkspaceJM::typeName ); RBWorkspaceJM_exposer.def( "typeName" , typeName_function_value ); } RBWorkspaceJM_exposer.staticmethod( "typeName" ); RBWorkspaceJM_exposer.def( "__copy__", &__copy__); RBWorkspaceJM_exposer.def( "__deepcopy__", &__copy__); RBWorkspaceJM_exposer.def( "clone", &__copy__); RBWorkspaceJM_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::RBWorkspaceJM >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); RBWorkspaceJM_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::RBWorkspaceJM >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); RBWorkspaceJM_exposer.def( "__str__", &__str__< ::SireMove::RBWorkspaceJM > ); RBWorkspaceJM_exposer.def( "__repr__", &__str__< ::SireMove::RBWorkspaceJM > ); } }
void register_Segment_class(){ { //::SireMol::Segment typedef bp::class_< SireMol::Segment, bp::bases< SireMol::MoleculeView, SireBase::Property > > Segment_exposer_t; Segment_exposer_t Segment_exposer = Segment_exposer_t( "Segment", bp::init< >() ); bp::scope Segment_scope( Segment_exposer ); Segment_exposer.def( bp::init< SireMol::MoleculeData const &, SireMol::SegID const & >(( bp::arg("data"), bp::arg("segid") )) ); Segment_exposer.def( bp::init< SireMol::Segment const & >(( bp::arg("other") )) ); { //::SireMol::Segment::assertContainsMetadata typedef void ( ::SireMol::Segment::*assertContainsMetadata_function_type )( ::SireBase::PropertyName const & ) const; assertContainsMetadata_function_type assertContainsMetadata_function_value( &::SireMol::Segment::assertContainsMetadata ); Segment_exposer.def( "assertContainsMetadata" , assertContainsMetadata_function_value , ( bp::arg("metakey") ) ); } { //::SireMol::Segment::assertContainsMetadata typedef void ( ::SireMol::Segment::*assertContainsMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const; assertContainsMetadata_function_type assertContainsMetadata_function_value( &::SireMol::Segment::assertContainsMetadata ); Segment_exposer.def( "assertContainsMetadata" , assertContainsMetadata_function_value , ( bp::arg("key"), bp::arg("metakey") ) ); } { //::SireMol::Segment::assertContainsProperty typedef void ( ::SireMol::Segment::*assertContainsProperty_function_type )( ::SireBase::PropertyName const & ) const; assertContainsProperty_function_type assertContainsProperty_function_value( &::SireMol::Segment::assertContainsProperty ); Segment_exposer.def( "assertContainsProperty" , assertContainsProperty_function_value , ( bp::arg("key") ) ); } { //::SireMol::Segment::atomIdxs typedef ::QList< SireMol::AtomIdx > const & ( ::SireMol::Segment::*atomIdxs_function_type )( ) const; atomIdxs_function_type atomIdxs_function_value( &::SireMol::Segment::atomIdxs ); Segment_exposer.def( "atomIdxs" , atomIdxs_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::Segment::contains typedef bool ( ::SireMol::Segment::*contains_function_type )( ::SireMol::AtomIdx ) const; contains_function_type contains_function_value( &::SireMol::Segment::contains ); Segment_exposer.def( "contains" , contains_function_value , ( bp::arg("atomidx") ) ); } { //::SireMol::Segment::contains typedef bool ( ::SireMol::Segment::*contains_function_type )( ::SireMol::AtomID const & ) const; contains_function_type contains_function_value( &::SireMol::Segment::contains ); Segment_exposer.def( "contains" , contains_function_value , ( bp::arg("atomid") ) ); } { //::SireMol::Segment::edit typedef ::SireMol::SegEditor ( ::SireMol::Segment::*edit_function_type )( ) const; edit_function_type edit_function_value( &::SireMol::Segment::edit ); Segment_exposer.def( "edit" , edit_function_value ); } { //::SireMol::Segment::evaluate typedef ::SireMol::Evaluator ( ::SireMol::Segment::*evaluate_function_type )( ) const; evaluate_function_type evaluate_function_value( &::SireMol::Segment::evaluate ); Segment_exposer.def( "evaluate" , evaluate_function_value ); } { //::SireMol::Segment::hasMetadata typedef bool ( ::SireMol::Segment::*hasMetadata_function_type )( ::SireBase::PropertyName const & ) const; hasMetadata_function_type hasMetadata_function_value( &::SireMol::Segment::hasMetadata ); Segment_exposer.def( "hasMetadata" , hasMetadata_function_value , ( bp::arg("metakey") ) ); } { //::SireMol::Segment::hasMetadata typedef bool ( ::SireMol::Segment::*hasMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const; hasMetadata_function_type hasMetadata_function_value( &::SireMol::Segment::hasMetadata ); Segment_exposer.def( "hasMetadata" , hasMetadata_function_value , ( bp::arg("key"), bp::arg("metakey") ) ); } { //::SireMol::Segment::hasProperty typedef bool ( ::SireMol::Segment::*hasProperty_function_type )( ::SireBase::PropertyName const & ) const; hasProperty_function_type hasProperty_function_value( &::SireMol::Segment::hasProperty ); Segment_exposer.def( "hasProperty" , hasProperty_function_value , ( bp::arg("key") ) ); } { //::SireMol::Segment::index typedef ::SireMol::SegIdx ( ::SireMol::Segment::*index_function_type )( ) const; index_function_type index_function_value( &::SireMol::Segment::index ); Segment_exposer.def( "index" , index_function_value ); } { //::SireMol::Segment::intersects typedef bool ( ::SireMol::Segment::*intersects_function_type )( ::SireMol::AtomID const & ) const; intersects_function_type intersects_function_value( &::SireMol::Segment::intersects ); Segment_exposer.def( "intersects" , intersects_function_value , ( bp::arg("atomid") ) ); } { //::SireMol::Segment::isEmpty typedef bool ( ::SireMol::Segment::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireMol::Segment::isEmpty ); Segment_exposer.def( "isEmpty" , isEmpty_function_value ); } { //::SireMol::Segment::metadataKeys typedef ::QStringList ( ::SireMol::Segment::*metadataKeys_function_type )( ) const; metadataKeys_function_type metadataKeys_function_value( &::SireMol::Segment::metadataKeys ); Segment_exposer.def( "metadataKeys" , metadataKeys_function_value ); } { //::SireMol::Segment::metadataKeys typedef ::QStringList ( ::SireMol::Segment::*metadataKeys_function_type )( ::SireBase::PropertyName const & ) const; metadataKeys_function_type metadataKeys_function_value( &::SireMol::Segment::metadataKeys ); Segment_exposer.def( "metadataKeys" , metadataKeys_function_value , ( bp::arg("key") ) ); } { //::SireMol::Segment::move typedef ::SireMol::Mover< SireMol::Segment > ( ::SireMol::Segment::*move_function_type )( ) const; move_function_type move_function_value( &::SireMol::Segment::move ); Segment_exposer.def( "move" , move_function_value ); } { //::SireMol::Segment::nAtoms typedef int ( ::SireMol::Segment::*nAtoms_function_type )( ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::Segment::nAtoms ); Segment_exposer.def( "nAtoms" , nAtoms_function_value ); } { //::SireMol::Segment::name typedef ::SireMol::SegName const & ( ::SireMol::Segment::*name_function_type )( ) const; name_function_type name_function_value( &::SireMol::Segment::name ); Segment_exposer.def( "name" , name_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } Segment_exposer.def( bp::self != bp::self ); { //::SireMol::Segment::operator= typedef ::SireMol::Segment & ( ::SireMol::Segment::*assign_function_type )( ::SireMol::Segment const & ) ; assign_function_type assign_function_value( &::SireMol::Segment::operator= ); Segment_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } Segment_exposer.def( bp::self == bp::self ); { //::SireMol::Segment::propertyKeys typedef ::QStringList ( ::SireMol::Segment::*propertyKeys_function_type )( ) const; propertyKeys_function_type propertyKeys_function_value( &::SireMol::Segment::propertyKeys ); Segment_exposer.def( "propertyKeys" , propertyKeys_function_value ); } { //::SireMol::Segment::selectedAll typedef bool ( ::SireMol::Segment::*selectedAll_function_type )( ) const; selectedAll_function_type selectedAll_function_value( &::SireMol::Segment::selectedAll ); Segment_exposer.def( "selectedAll" , selectedAll_function_value ); } { //::SireMol::Segment::selection typedef ::SireMol::AtomSelection ( ::SireMol::Segment::*selection_function_type )( ) const; selection_function_type selection_function_value( &::SireMol::Segment::selection ); Segment_exposer.def( "selection" , selection_function_value ); } { //::SireMol::Segment::selector typedef ::SireMol::Selector< SireMol::Segment > ( ::SireMol::Segment::*selector_function_type )( ) const; selector_function_type selector_function_value( &::SireMol::Segment::selector ); Segment_exposer.def( "selector" , selector_function_value ); } { //::SireMol::Segment::toString typedef ::QString ( ::SireMol::Segment::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::Segment::toString ); Segment_exposer.def( "toString" , toString_function_value ); } { //::SireMol::Segment::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::Segment::typeName ); Segment_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::Segment::update typedef void ( ::SireMol::Segment::*update_function_type )( ::SireMol::MoleculeData const & ) ; update_function_type update_function_value( &::SireMol::Segment::update ); Segment_exposer.def( "update" , update_function_value , ( bp::arg("moldata") ) ); } Segment_exposer.staticmethod( "typeName" ); Segment_exposer.def( "_get_property_SireMol_SegStringProperty", &SireMol::Segment::property< QString >, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegStringProperty", get_Metadata_SireMol_SegStringProperty_function1, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegStringProperty", &get_Metadata_SireMol_SegStringProperty_function2, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_property_SireMol_SegIntProperty", &SireMol::Segment::property< qint64 >, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegIntProperty", get_Metadata_SireMol_SegIntProperty_function1, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegIntProperty", &get_Metadata_SireMol_SegIntProperty_function2, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_property_SireMol_SegFloatProperty", &SireMol::Segment::property< double >, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegFloatProperty", get_Metadata_SireMol_SegFloatProperty_function1, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegFloatProperty", &get_Metadata_SireMol_SegFloatProperty_function2, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_property_SireMol_SegVariantProperty", &SireMol::Segment::property< QVariant >, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegVariantProperty", get_Metadata_SireMol_SegVariantProperty_function1, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "_get_metadata_SireMol_SegVariantProperty", &get_Metadata_SireMol_SegVariantProperty_function2, bp::return_value_policy<bp::copy_const_reference>()); Segment_exposer.def( "__copy__", &__copy__); Segment_exposer.def( "__deepcopy__", &__copy__); Segment_exposer.def( "clone", &__copy__); Segment_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::Segment >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Segment_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::Segment >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Segment_exposer.def( "__str__", &__str__< ::SireMol::Segment > ); Segment_exposer.def( "__repr__", &__str__< ::SireMol::Segment > ); } }
void register_AtomFloatProperty_class(){ { //::SireMol::AtomProperty< double > typedef bp::class_< SireMol::AtomProperty< double >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomFloatProperty_exposer_t; AtomFloatProperty_exposer_t AtomFloatProperty_exposer = AtomFloatProperty_exposer_t( "AtomFloatProperty", "", bp::init< >("") ); bp::scope AtomFloatProperty_scope( AtomFloatProperty_exposer ); AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") ), "") ); AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const &, double const & >(( bp::arg("molinfo"), bp::arg("default_value") ), "") ); AtomFloatProperty_exposer.def( bp::init< double const & >(( bp::arg("value") ), "") ); AtomFloatProperty_exposer.def( bp::init< SireBase::PackedArray2D< double > const & >(( bp::arg("values") ), "") ); AtomFloatProperty_exposer.def( bp::init< SireMol::AtomProperty< double > const & >(( bp::arg("other") ), "") ); { //::SireMol::AtomProperty< double >::array typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PackedArray2D< double > const & ( ::SireMol::AtomProperty< double >::*array_function_type)( ) const; array_function_type array_function_value( &::SireMol::AtomProperty< double >::array ); AtomFloatProperty_exposer.def( "array" , array_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::assertCanConvert typedef SireMol::AtomProperty< double > exported_class_t; typedef void ( ::SireMol::AtomProperty< double >::*assertCanConvert_function_type)( ::QVariant const & ) const; assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< double >::assertCanConvert ); AtomFloatProperty_exposer.def( "assertCanConvert" , assertCanConvert_function_value , ( bp::arg("value") ) , "" ); } { //::SireMol::AtomProperty< double >::assignFrom typedef SireMol::AtomProperty< double > exported_class_t; typedef void ( ::SireMol::AtomProperty< double >::*assignFrom_function_type)( ::SireMol::AtomProperty< QVariant > const & ) ; assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< double >::assignFrom ); AtomFloatProperty_exposer.def( "assignFrom" , assignFrom_function_value , ( bp::arg("values") ) , "" ); } { //::SireMol::AtomProperty< double >::at typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGIdx ) const; at_function_type at_function_value( &::SireMol::AtomProperty< double >::at ); AtomFloatProperty_exposer.def( "at" , at_function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::at typedef SireMol::AtomProperty< double > exported_class_t; typedef double const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGAtomIdx const & ) const; at_function_type at_function_value( &::SireMol::AtomProperty< double >::at ); AtomFloatProperty_exposer.def( "at" , at_function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::canConvert typedef SireMol::AtomProperty< double > exported_class_t; typedef bool ( ::SireMol::AtomProperty< double >::*canConvert_function_type)( ::QVariant const & ) const; canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< double >::canConvert ); AtomFloatProperty_exposer.def( "canConvert" , canConvert_function_value , ( bp::arg("value") ) , "" ); } { //::SireMol::AtomProperty< double >::copyFrom typedef SireMol::AtomProperty< double > exported_class_t; typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const & ) ; copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom ); AtomFloatProperty_exposer.def( "copyFrom" , copyFrom_function_value , ( bp::arg("values") ) , "" ); } { //::SireMol::AtomProperty< double >::copyFrom typedef SireMol::AtomProperty< double > exported_class_t; typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const &,::SireMol::AtomSelection const & ) ; copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom ); AtomFloatProperty_exposer.def( "copyFrom" , copyFrom_function_value , ( bp::arg("values"), bp::arg("selection") ) , "" ); } { //::SireMol::AtomProperty< double >::count typedef SireMol::AtomProperty< double > exported_class_t; typedef int ( ::SireMol::AtomProperty< double >::*count_function_type)( ) const; count_function_type count_function_value( &::SireMol::AtomProperty< double >::count ); AtomFloatProperty_exposer.def( "count" , count_function_value , "" ); } { //::SireMol::AtomProperty< double >::divide typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divide_function_type)( ::QVector< SireMol::AtomSelection > const & ) const; divide_function_type divide_function_value( &::SireMol::AtomProperty< double >::divide ); AtomFloatProperty_exposer.def( "divide" , divide_function_value , ( bp::arg("beads") ) , "" ); } { //::SireMol::AtomProperty< double >::divideByResidue typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divideByResidue_function_type)( ::SireMol::MoleculeInfoData const & ) const; divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< double >::divideByResidue ); AtomFloatProperty_exposer.def( "divideByResidue" , divideByResidue_function_value , ( bp::arg("molinfo") ) , "" ); } { //::SireMol::AtomProperty< double >::fromVariant typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< double > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & ); fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< double >::fromVariant ); AtomFloatProperty_exposer.def( "fromVariant" , fromVariant_function_value , ( bp::arg("variant") ) , "" ); } { //::SireMol::AtomProperty< double >::get typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGIdx ) const; get_function_type get_function_value( &::SireMol::AtomProperty< double >::get ); AtomFloatProperty_exposer.def( "get" , get_function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::get typedef SireMol::AtomProperty< double > exported_class_t; typedef double const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGAtomIdx const & ) const; get_function_type get_function_value( &::SireMol::AtomProperty< double >::get ); AtomFloatProperty_exposer.def( "get" , get_function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::isCompatibleWith typedef SireMol::AtomProperty< double > exported_class_t; typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfoData const & ) const; isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith ); AtomFloatProperty_exposer.def( "isCompatibleWith" , isCompatibleWith_function_value , ( bp::arg("molinfo") ) , "" ); } { //::SireMol::AtomProperty< double >::isCompatibleWith typedef SireMol::AtomProperty< double > exported_class_t; typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfo const & ) const; isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith ); AtomFloatProperty_exposer.def( "isCompatibleWith" , isCompatibleWith_function_value , ( bp::arg("molinfo") ) , "" ); } { //::SireMol::AtomProperty< double >::isEmpty typedef SireMol::AtomProperty< double > exported_class_t; typedef bool ( ::SireMol::AtomProperty< double >::*isEmpty_function_type)( ) const; isEmpty_function_type isEmpty_function_value( &::SireMol::AtomProperty< double >::isEmpty ); AtomFloatProperty_exposer.def( "isEmpty" , isEmpty_function_value , "" ); } { //::SireMol::AtomProperty< double >::matchToSelection typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< double > ( ::SireMol::AtomProperty< double >::*matchToSelection_function_type)( ::SireMol::AtomSelection const & ) const; matchToSelection_function_type matchToSelection_function_value( &::SireMol::AtomProperty< double >::matchToSelection ); AtomFloatProperty_exposer.def( "matchToSelection" , matchToSelection_function_value , ( bp::arg("selection") ) , "" ); } { //::SireMol::AtomProperty< double >::merge typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*merge_function_type)( ::SireMol::MoleculeInfoData const & ) const; merge_function_type merge_function_value( &::SireMol::AtomProperty< double >::merge ); AtomFloatProperty_exposer.def( "merge" , merge_function_value , ( bp::arg("molinfo") ) , "" ); } { //::SireMol::AtomProperty< double >::nAtoms typedef SireMol::AtomProperty< double > exported_class_t; typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms ); AtomFloatProperty_exposer.def( "nAtoms" , nAtoms_function_value , "" ); } { //::SireMol::AtomProperty< double >::nAtoms typedef SireMol::AtomProperty< double > exported_class_t; typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ::SireMol::CGIdx ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms ); AtomFloatProperty_exposer.def( "nAtoms" , nAtoms_function_value , ( bp::arg("cgidx") ) , "" ); } { //::SireMol::AtomProperty< double >::nCutGroups typedef SireMol::AtomProperty< double > exported_class_t; typedef int ( ::SireMol::AtomProperty< double >::*nCutGroups_function_type)( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< double >::nCutGroups ); AtomFloatProperty_exposer.def( "nCutGroups" , nCutGroups_function_value , "" ); } AtomFloatProperty_exposer.def( bp::self != bp::self ); { //::SireMol::AtomProperty< double >::operator= typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*assign_function_type)( ::SireMol::AtomProperty< double > const & ) ; assign_function_type assign_function_value( &::SireMol::AtomProperty< double >::operator= ); AtomFloatProperty_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } AtomFloatProperty_exposer.def( bp::self == bp::self ); { //::SireMol::AtomProperty< double >::operator[] typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGIdx ) const; __getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] ); AtomFloatProperty_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::operator[] typedef SireMol::AtomProperty< double > exported_class_t; typedef double const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGAtomIdx const & ) const; __getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] ); AtomFloatProperty_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMol::AtomProperty< double >::set typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGAtomIdx const &,double const & ) ; set_function_type set_function_value( &::SireMol::AtomProperty< double >::set ); AtomFloatProperty_exposer.def( "set" , set_function_value , ( bp::arg("cgatomidx"), bp::arg("value") ) , bp::return_self< >() , "" ); } { //::SireMol::AtomProperty< double >::set typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGIdx,::QVector< double > const & ) ; set_function_type set_function_value( &::SireMol::AtomProperty< double >::set ); AtomFloatProperty_exposer.def( "set" , set_function_value , ( bp::arg("cgidx"), bp::arg("values") ) , bp::return_self< >() , "" ); } { //::SireMol::AtomProperty< double >::size typedef SireMol::AtomProperty< double > exported_class_t; typedef int ( ::SireMol::AtomProperty< double >::*size_function_type)( ) const; size_function_type size_function_value( &::SireMol::AtomProperty< double >::size ); AtomFloatProperty_exposer.def( "size" , size_function_value , "" ); } { //::SireMol::AtomProperty< double >::toString typedef SireMol::AtomProperty< double > exported_class_t; typedef ::QString ( ::SireMol::AtomProperty< double >::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMol::AtomProperty< double >::toString ); AtomFloatProperty_exposer.def( "toString" , toString_function_value , "" ); } { //::SireMol::AtomProperty< double >::toVariant typedef SireMol::AtomProperty< double > exported_class_t; typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< double >::*toVariant_function_type)( ) const; toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< double >::toVariant ); AtomFloatProperty_exposer.def( "toVariant" , toVariant_function_value , "" ); } { //::SireMol::AtomProperty< double >::toVector typedef SireMol::AtomProperty< double > exported_class_t; typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ) const; toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector ); AtomFloatProperty_exposer.def( "toVector" , toVector_function_value , "" ); } { //::SireMol::AtomProperty< double >::toVector typedef SireMol::AtomProperty< double > exported_class_t; typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ::SireMol::AtomSelection const & ) const; toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector ); AtomFloatProperty_exposer.def( "toVector" , toVector_function_value , ( bp::arg("selection") ) , "" ); } { //::SireMol::AtomProperty< double >::typeName typedef SireMol::AtomProperty< double > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::AtomProperty< double >::typeName ); AtomFloatProperty_exposer.def( "typeName" , typeName_function_value , "" ); } AtomFloatProperty_exposer.staticmethod( "fromVariant" ); AtomFloatProperty_exposer.staticmethod( "typeName" ); AtomFloatProperty_exposer.def( "__copy__", &__copy__); AtomFloatProperty_exposer.def( "__deepcopy__", &__copy__); AtomFloatProperty_exposer.def( "clone", &__copy__); AtomFloatProperty_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<double> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AtomFloatProperty_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<double> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AtomFloatProperty_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<double> > ); AtomFloatProperty_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<double> > ); AtomFloatProperty_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<double> > ); } }
void register_CLJBoxes_class(){ { //::SireMM::CLJBoxes typedef bp::class_< SireMM::CLJBoxes > CLJBoxes_exposer_t; CLJBoxes_exposer_t CLJBoxes_exposer = CLJBoxes_exposer_t( "CLJBoxes", bp::init< >() ); bp::scope CLJBoxes_scope( CLJBoxes_exposer ); CLJBoxes_exposer.def( bp::init< SireUnits::Dimension::Length >(( bp::arg("box_size") )) ); CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const & >(( bp::arg("atoms") )) ); CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const & >(( bp::arg("atoms0"), bp::arg("atoms1") )) ); CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms"), bp::arg("box_size") )) ); CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms0"), bp::arg("atoms1"), bp::arg("box_size") )) ); CLJBoxes_exposer.def( bp::init< SireMM::CLJBoxes const & >(( bp::arg("other") )) ); { //::SireMM::CLJBoxes::add typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*add_function_type )( ::SireMM::CLJAtoms const & ) ; add_function_type add_function_value( &::SireMM::CLJBoxes::add ); CLJBoxes_exposer.def( "add" , add_function_value , ( bp::arg("atoms") ) ); } { //::SireMM::CLJBoxes::at typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*at_function_type )( ::SireMM::CLJBoxIndex const & ) const; at_function_type at_function_value( &::SireMM::CLJBoxes::at ); CLJBoxes_exposer.def( "at" , at_function_value , ( bp::arg("idx") ) ); } { //::SireMM::CLJBoxes::atoms typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ) const; atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms ); CLJBoxes_exposer.def( "atoms" , atoms_function_value ); } { //::SireMM::CLJBoxes::atoms typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const; atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms ); CLJBoxes_exposer.def( "atoms" , atoms_function_value , ( bp::arg("atoms") ) ); } { //::SireMM::CLJBoxes::boxAt typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( int ) const; boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt ); CLJBoxes_exposer.def( "boxAt" , boxAt_function_value , ( bp::arg("i") ) ); } { //::SireMM::CLJBoxes::boxAt typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMM::CLJBoxIndex const & ) const; boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt ); CLJBoxes_exposer.def( "boxAt" , boxAt_function_value , ( bp::arg("index") ) ); } { //::SireMM::CLJBoxes::boxAt typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMaths::Vector const & ) const; boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt ); CLJBoxes_exposer.def( "boxAt" , boxAt_function_value , ( bp::arg("coords") ) ); } { //::SireMM::CLJBoxes::boxDimensions typedef ::QVector< SireVol::AABox > ( ::SireMM::CLJBoxes::*boxDimensions_function_type )( ) const; boxDimensions_function_type boxDimensions_function_value( &::SireMM::CLJBoxes::boxDimensions ); CLJBoxes_exposer.def( "boxDimensions" , boxDimensions_function_value ); } { //::SireMM::CLJBoxes::boxDimensionsAt typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( int ) const; boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt ); CLJBoxes_exposer.def( "boxDimensionsAt" , boxDimensionsAt_function_value , ( bp::arg("i") ) ); } { //::SireMM::CLJBoxes::boxDimensionsAt typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMM::CLJBoxIndex const & ) const; boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt ); CLJBoxes_exposer.def( "boxDimensionsAt" , boxDimensionsAt_function_value , ( bp::arg("index") ) ); } { //::SireMM::CLJBoxes::boxDimensionsAt typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMaths::Vector const & ) const; boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt ); CLJBoxes_exposer.def( "boxDimensionsAt" , boxDimensionsAt_function_value , ( bp::arg("coords") ) ); } { //::SireMM::CLJBoxes::boxes typedef ::QVector< SireMM::CLJBox > ( ::SireMM::CLJBoxes::*boxes_function_type )( ) const; boxes_function_type boxes_function_value( &::SireMM::CLJBoxes::boxes ); CLJBoxes_exposer.def( "boxes" , boxes_function_value ); } { //::SireMM::CLJBoxes::get typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*get_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const; get_function_type get_function_value( &::SireMM::CLJBoxes::get ); CLJBoxes_exposer.def( "get" , get_function_value , ( bp::arg("atoms") ) ); } { //::SireMM::CLJBoxes::getDistance typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const; getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance ); CLJBoxes_exposer.def( "getDistance" , getDistance_function_value , ( bp::arg("box0"), bp::arg("box1") ) ); } { //::SireMM::CLJBoxes::getDistance typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const; getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance ); CLJBoxes_exposer.def( "getDistance" , getDistance_function_value , ( bp::arg("space"), bp::arg("box0"), bp::arg("box1") ) ); } { //::SireMM::CLJBoxes::getDistance typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const &,::quint32,::quint32,::quint32 ) const; getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance ); CLJBoxes_exposer.def( "getDistance" , getDistance_function_value , ( bp::arg("space"), bp::arg("box0"), bp::arg("box1"), bp::arg("nx"), bp::arg("ny"), bp::arg("nz") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const & ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("boxes") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("boxes"), bp::arg("cutoff") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const & ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1"), bp::arg("cutoff") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const & ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1") ) ); } { //::SireMM::CLJBoxes::getDistances typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length ); getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances ); CLJBoxes_exposer.def( "getDistances" , getDistances_function_value , ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1"), bp::arg("cutoff") ) ); } { //::SireMM::CLJBoxes::getitem typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*getitem_function_type )( ::SireMM::CLJBoxIndex const & ) const; getitem_function_type getitem_function_value( &::SireMM::CLJBoxes::getitem ); CLJBoxes_exposer.def( "getitem" , getitem_function_value , ( bp::arg("idx") ) ); } { //::SireMM::CLJBoxes::isEmpty typedef bool ( ::SireMM::CLJBoxes::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireMM::CLJBoxes::isEmpty ); CLJBoxes_exposer.def( "isEmpty" , isEmpty_function_value ); } { //::SireMM::CLJBoxes::length typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJBoxes::*length_function_type )( ) const; length_function_type length_function_value( &::SireMM::CLJBoxes::length ); CLJBoxes_exposer.def( "length" , length_function_value ); } { //::SireMM::CLJBoxes::nAtoms typedef int ( ::SireMM::CLJBoxes::*nAtoms_function_type )( ) const; nAtoms_function_type nAtoms_function_value( &::SireMM::CLJBoxes::nAtoms ); CLJBoxes_exposer.def( "nAtoms" , nAtoms_function_value ); } { //::SireMM::CLJBoxes::nOccupiedBoxes typedef int ( ::SireMM::CLJBoxes::*nOccupiedBoxes_function_type )( ) const; nOccupiedBoxes_function_type nOccupiedBoxes_function_value( &::SireMM::CLJBoxes::nOccupiedBoxes ); CLJBoxes_exposer.def( "nOccupiedBoxes" , nOccupiedBoxes_function_value ); } { //::SireMM::CLJBoxes::occupiedBoxIndicies typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*occupiedBoxIndicies_function_type )( ) const; occupiedBoxIndicies_function_type occupiedBoxIndicies_function_value( &::SireMM::CLJBoxes::occupiedBoxIndicies ); CLJBoxes_exposer.def( "occupiedBoxIndicies" , occupiedBoxIndicies_function_value ); } { //::SireMM::CLJBoxes::occupiedBoxes typedef ::QVector< SireMM::CLJBoxPtr > const & ( ::SireMM::CLJBoxes::*occupiedBoxes_function_type )( ) const; occupiedBoxes_function_type occupiedBoxes_function_value( &::SireMM::CLJBoxes::occupiedBoxes ); CLJBoxes_exposer.def( "occupiedBoxes" , occupiedBoxes_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } CLJBoxes_exposer.def( bp::self != bp::self ); CLJBoxes_exposer.def( bp::self + bp::self ); { //::SireMM::CLJBoxes::operator= typedef ::SireMM::CLJBoxes & ( ::SireMM::CLJBoxes::*assign_function_type )( ::SireMM::CLJBoxes const & ) ; assign_function_type assign_function_value( &::SireMM::CLJBoxes::operator= ); CLJBoxes_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJBoxes_exposer.def( bp::self == bp::self ); { //::SireMM::CLJBoxes::operator[] typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*__getitem___function_type )( ::SireMM::CLJBoxIndex const & ) const; __getitem___function_type __getitem___function_value( &::SireMM::CLJBoxes::operator[] ); CLJBoxes_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("idx") ) ); } { //::SireMM::CLJBoxes::remove typedef void ( ::SireMM::CLJBoxes::*remove_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ; remove_function_type remove_function_value( &::SireMM::CLJBoxes::remove ); CLJBoxes_exposer.def( "remove" , remove_function_value , ( bp::arg("atoms") ) ); } { //::SireMM::CLJBoxes::squeeze typedef ::SireMM::CLJBoxes ( ::SireMM::CLJBoxes::*squeeze_function_type )( ) const; squeeze_function_type squeeze_function_value( &::SireMM::CLJBoxes::squeeze ); CLJBoxes_exposer.def( "squeeze" , squeeze_function_value ); } { //::SireMM::CLJBoxes::take typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*take_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ; take_function_type take_function_value( &::SireMM::CLJBoxes::take ); CLJBoxes_exposer.def( "take" , take_function_value , ( bp::arg("atoms") ) ); } { //::SireMM::CLJBoxes::toString typedef ::QString ( ::SireMM::CLJBoxes::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::CLJBoxes::toString ); CLJBoxes_exposer.def( "toString" , toString_function_value ); } { //::SireMM::CLJBoxes::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJBoxes::typeName ); CLJBoxes_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::CLJBoxes::what typedef char const * ( ::SireMM::CLJBoxes::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::CLJBoxes::what ); CLJBoxes_exposer.def( "what" , what_function_value ); } CLJBoxes_exposer.staticmethod( "getDistances" ); CLJBoxes_exposer.staticmethod( "typeName" ); CLJBoxes_exposer.def( "__copy__", &__copy__); CLJBoxes_exposer.def( "__deepcopy__", &__copy__); CLJBoxes_exposer.def( "clone", &__copy__); CLJBoxes_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJBoxes >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJBoxes_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJBoxes >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJBoxes_exposer.def( "__str__", &__str__< ::SireMM::CLJBoxes > ); CLJBoxes_exposer.def( "__repr__", &__str__< ::SireMM::CLJBoxes > ); CLJBoxes_exposer.def( "__getitem__", &::SireMM::CLJBoxes::getitem ); } }
void register_AtomCoords_class(){ { //::SireMol::AtomProperty< SireMaths::Vector > typedef bp::class_< SireMol::AtomProperty< SireMaths::Vector >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomCoords_exposer_t; AtomCoords_exposer_t AtomCoords_exposer = AtomCoords_exposer_t( "AtomCoords", bp::init< >() ); bp::scope AtomCoords_scope( AtomCoords_exposer ); AtomCoords_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") )) ); AtomCoords_exposer.def( bp::init< SireVol::CoordGroup const & >(( bp::arg("cgroup") )) ); AtomCoords_exposer.def( bp::init< SireVol::CoordGroupArray const & >(( bp::arg("cgroups") )) ); AtomCoords_exposer.def( bp::init< SireMol::AtomProperty< SireMaths::Vector > const & >(( bp::arg("other") )) ); { //::SireMol::AtomProperty< SireMaths::Vector >::array typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireVol::CoordGroupArray const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*array_function_type )( ) const; array_function_type array_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::array ); AtomCoords_exposer.def( "array" , array_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assertCanConvert_function_type )( ::QVariant const & ) const; assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert ); AtomCoords_exposer.def( "assertCanConvert" , assertCanConvert_function_value , ( bp::arg("value") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::assignFrom typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assignFrom_function_type )( ::SireMol::AtomProperty< QVariant > const & ) ; assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assignFrom ); AtomCoords_exposer.def( "assignFrom" , assignFrom_function_value , ( bp::arg("values") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::at typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGIdx ) const; at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at ); AtomCoords_exposer.def( "at" , at_function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::at typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGAtomIdx const & ) const; at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at ); AtomCoords_exposer.def( "at" , at_function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::canConvert typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*canConvert_function_type )( ::QVariant const & ) const; canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::canConvert ); AtomCoords_exposer.def( "canConvert" , canConvert_function_value , ( bp::arg("value") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ; changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame ); AtomCoords_exposer.def( "changeFrame" , changeFrame_function_value , ( bp::arg("from_frame"), bp::arg("to_frame") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ; changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame ); AtomCoords_exposer.def( "changeFrame" , changeFrame_function_value , ( bp::arg("cgidx"), bp::arg("from_frame"), bp::arg("to_frame") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const & ) ; copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom ); AtomCoords_exposer.def( "copyFrom" , copyFrom_function_value , ( bp::arg("values") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const &,::SireMol::AtomSelection const & ) ; copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom ); AtomCoords_exposer.def( "copyFrom" , copyFrom_function_value , ( bp::arg("values"), bp::arg("selection") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::count typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*count_function_type )( ) const; count_function_type count_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::count ); AtomCoords_exposer.def( "count" , count_function_value ); } { //::SireMol::AtomProperty< SireMaths::Vector >::divide typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divide_function_type )( ::QVector< SireMol::AtomSelection > const & ) const; divide_function_type divide_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divide ); AtomCoords_exposer.def( "divide" , divide_function_value , ( bp::arg("beads") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divideByResidue_function_type )( ::SireMol::MoleculeInfoData const & ) const; divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue ); AtomCoords_exposer.def( "divideByResidue" , divideByResidue_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::fromVariant typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< SireMaths::Vector > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & ); fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::fromVariant ); AtomCoords_exposer.def( "fromVariant" , fromVariant_function_value , ( bp::arg("variant") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::get typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGIdx ) const; get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get ); AtomCoords_exposer.def( "get" , get_function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::get typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGAtomIdx const & ) const; get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get ); AtomCoords_exposer.def( "get" , get_function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*isCompatibleWith_function_type )( ::SireMol::MoleculeInfoData const & ) const; isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith ); AtomCoords_exposer.def( "isCompatibleWith" , isCompatibleWith_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::mapInto typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMaths::AxisSet const & ) ; mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto ); AtomCoords_exposer.def( "mapInto" , mapInto_function_value , ( bp::arg("axes") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::mapInto typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const & ) ; mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto ); AtomCoords_exposer.def( "mapInto" , mapInto_function_value , ( bp::arg("cgidx"), bp::arg("axes") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::merge typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*merge_function_type )( ::SireMol::MoleculeInfoData const & ) const; merge_function_type merge_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::merge ); AtomCoords_exposer.def( "merge" , merge_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms ); AtomCoords_exposer.def( "nAtoms" , nAtoms_function_value ); } { //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ::SireMol::CGIdx ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms ); AtomCoords_exposer.def( "nAtoms" , nAtoms_function_value , ( bp::arg("cgidx") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nCutGroups_function_type )( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups ); AtomCoords_exposer.def( "nCutGroups" , nCutGroups_function_value ); } AtomCoords_exposer.def( bp::self != bp::self ); { //::SireMol::AtomProperty< SireMaths::Vector >::operator= typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*assign_function_type )( ::SireMol::AtomProperty< SireMaths::Vector > const & ) ; assign_function_type assign_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator= ); AtomCoords_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } AtomCoords_exposer.def( bp::self == bp::self ); { //::SireMol::AtomProperty< SireMaths::Vector >::operator[] typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGIdx ) const; __getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] ); AtomCoords_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("cgidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::operator[] typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGAtomIdx const & ) const; __getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] ); AtomCoords_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("cgatomidx") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::rotate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ; rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate ); AtomCoords_exposer.def( "rotate" , rotate_function_value , ( bp::arg("quat"), bp::arg("point") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::rotate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Matrix const &,::SireMaths::Vector const & ) ; rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate ); AtomCoords_exposer.def( "rotate" , rotate_function_value , ( bp::arg("rotmat"), bp::arg("point") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::rotate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ; rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate ); AtomCoords_exposer.def( "rotate" , rotate_function_value , ( bp::arg("cgidx"), bp::arg("quat"), bp::arg("point") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::rotate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Matrix const &,::SireMaths::Vector const & ) ; rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate ); AtomCoords_exposer.def( "rotate" , rotate_function_value , ( bp::arg("cgidx"), bp::arg("rotmat"), bp::arg("point") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::set typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGAtomIdx const &,::SireMaths::Vector const & ) ; set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set ); AtomCoords_exposer.def( "set" , set_function_value , ( bp::arg("cgatomidx"), bp::arg("value") ) , bp::return_self< >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::set typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::QVector< SireMaths::Vector > const & ) ; set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set ); AtomCoords_exposer.def( "set" , set_function_value , ( bp::arg("cgidx"), bp::arg("values") ) , bp::return_self< >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::set typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::SireVol::CoordGroup const & ) ; set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set ); AtomCoords_exposer.def( "set" , set_function_value , ( bp::arg("cgidx"), bp::arg("cgroup") ) , bp::return_self< >() ); } { //::SireMol::AtomProperty< SireMaths::Vector >::size typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*size_function_type )( ) const; size_function_type size_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::size ); AtomCoords_exposer.def( "size" , size_function_value ); } { //::SireMol::AtomProperty< SireMaths::Vector >::toVariant typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVariant_function_type )( ) const; toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVariant ); AtomCoords_exposer.def( "toVariant" , toVariant_function_value ); } { //::SireMol::AtomProperty< SireMaths::Vector >::toVector typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector ); AtomCoords_exposer.def( "toVector" , toVector_function_value ); } { //::SireMol::AtomProperty< SireMaths::Vector >::toVector typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ::SireMol::AtomSelection const & ) const; toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector ); AtomCoords_exposer.def( "toVector" , toVector_function_value , ( bp::arg("selection") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::transform typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMaths::Transform const & ) ; transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform ); AtomCoords_exposer.def( "transform" , transform_function_value , ( bp::arg("t") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::transform typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMol::CGIdx,::SireMaths::Transform const & ) ; transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform ); AtomCoords_exposer.def( "transform" , transform_function_value , ( bp::arg("cgidx"), bp::arg("t") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::translate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMaths::Vector const & ) ; translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate ); AtomCoords_exposer.def( "translate" , translate_function_value , ( bp::arg("delta") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::translate typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMol::CGIdx,::SireMaths::Vector const & ) ; translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate ); AtomCoords_exposer.def( "translate" , translate_function_value , ( bp::arg("cgidx"), bp::arg("delta") ) ); } { //::SireMol::AtomProperty< SireMaths::Vector >::typeName typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::typeName ); AtomCoords_exposer.def( "typeName" , typeName_function_value ); } AtomCoords_exposer.staticmethod( "fromVariant" ); AtomCoords_exposer.staticmethod( "typeName" ); AtomCoords_exposer.def( "__copy__", &__copy__); AtomCoords_exposer.def( "__deepcopy__", &__copy__); AtomCoords_exposer.def( "clone", &__copy__); AtomCoords_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AtomCoords_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AtomCoords_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > ); AtomCoords_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > ); AtomCoords_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<SireMaths::Vector> > ); } }
void register_PartialMolecule_class(){ { //::SireMol::PartialMolecule typedef bp::class_< SireMol::PartialMolecule, bp::bases< SireMol::MoleculeView, SireBase::Property > > PartialMolecule_exposer_t; PartialMolecule_exposer_t PartialMolecule_exposer = PartialMolecule_exposer_t( "PartialMolecule", bp::init< >() ); bp::scope PartialMolecule_scope( PartialMolecule_exposer ); PartialMolecule_exposer.def( bp::init< SireMol::MoleculeView const & >(( bp::arg("molecule") )) ); PartialMolecule_exposer.def( bp::init< SireMol::MoleculeData const &, SireMol::AtomSelection const & >(( bp::arg("moldata"), bp::arg("atoms") )) ); PartialMolecule_exposer.def( bp::init< SireMol::PartialMolecule const & >(( bp::arg("other") )) ); { //::SireMol::PartialMolecule::evaluate typedef ::SireMol::Evaluator ( ::SireMol::PartialMolecule::*evaluate_function_type )( ) const; evaluate_function_type evaluate_function_value( &::SireMol::PartialMolecule::evaluate ); PartialMolecule_exposer.def( "evaluate" , evaluate_function_value ); } { //::SireMol::PartialMolecule::extract typedef ::SireMol::PartialMolecule ( ::SireMol::PartialMolecule::*extract_function_type )( ) const; extract_function_type extract_function_value( &::SireMol::PartialMolecule::extract ); PartialMolecule_exposer.def( "extract" , extract_function_value ); } { //::SireMol::PartialMolecule::hasMetadata typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const & ) const; hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata ); PartialMolecule_exposer.def( "hasMetadata" , hasMetadata_function_value , ( bp::arg("metakey") ) ); } { //::SireMol::PartialMolecule::hasMetadata typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const; hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata ); PartialMolecule_exposer.def( "hasMetadata" , hasMetadata_function_value , ( bp::arg("key"), bp::arg("metakey") ) ); } { //::SireMol::PartialMolecule::hasProperty typedef bool ( ::SireMol::PartialMolecule::*hasProperty_function_type )( ::SireBase::PropertyName const & ) const; hasProperty_function_type hasProperty_function_value( &::SireMol::PartialMolecule::hasProperty ); PartialMolecule_exposer.def( "hasProperty" , hasProperty_function_value , ( bp::arg("key") ) ); } { //::SireMol::PartialMolecule::isEmpty typedef bool ( ::SireMol::PartialMolecule::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireMol::PartialMolecule::isEmpty ); PartialMolecule_exposer.def( "isEmpty" , isEmpty_function_value ); } { //::SireMol::PartialMolecule::metadata typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const & ) const; metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata ); PartialMolecule_exposer.def( "metadata" , metadata_function_value , ( bp::arg("metakey") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::PartialMolecule::metadata typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const; metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata ); PartialMolecule_exposer.def( "metadata" , metadata_function_value , ( bp::arg("key"), bp::arg("metakey") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::PartialMolecule::metadataKeys typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ) const; metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys ); PartialMolecule_exposer.def( "metadataKeys" , metadataKeys_function_value ); } { //::SireMol::PartialMolecule::metadataKeys typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ::SireBase::PropertyName const & ) const; metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys ); PartialMolecule_exposer.def( "metadataKeys" , metadataKeys_function_value , ( bp::arg("key") ) ); } { //::SireMol::PartialMolecule::move typedef ::SireMol::Mover< SireMol::PartialMolecule > ( ::SireMol::PartialMolecule::*move_function_type )( ) const; move_function_type move_function_value( &::SireMol::PartialMolecule::move ); PartialMolecule_exposer.def( "move" , move_function_value ); } { //::SireMol::PartialMolecule::nAtoms typedef int ( ::SireMol::PartialMolecule::*nAtoms_function_type )( ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::PartialMolecule::nAtoms ); PartialMolecule_exposer.def( "nAtoms" , nAtoms_function_value ); } { //::SireMol::PartialMolecule::nChains typedef int ( ::SireMol::PartialMolecule::*nChains_function_type )( ) const; nChains_function_type nChains_function_value( &::SireMol::PartialMolecule::nChains ); PartialMolecule_exposer.def( "nChains" , nChains_function_value ); } { //::SireMol::PartialMolecule::nCutGroups typedef int ( ::SireMol::PartialMolecule::*nCutGroups_function_type )( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireMol::PartialMolecule::nCutGroups ); PartialMolecule_exposer.def( "nCutGroups" , nCutGroups_function_value ); } { //::SireMol::PartialMolecule::nResidues typedef int ( ::SireMol::PartialMolecule::*nResidues_function_type )( ) const; nResidues_function_type nResidues_function_value( &::SireMol::PartialMolecule::nResidues ); PartialMolecule_exposer.def( "nResidues" , nResidues_function_value ); } { //::SireMol::PartialMolecule::nSegments typedef int ( ::SireMol::PartialMolecule::*nSegments_function_type )( ) const; nSegments_function_type nSegments_function_value( &::SireMol::PartialMolecule::nSegments ); PartialMolecule_exposer.def( "nSegments" , nSegments_function_value ); } { //::SireMol::PartialMolecule::name typedef ::SireMol::MolName const & ( ::SireMol::PartialMolecule::*name_function_type )( ) const; name_function_type name_function_value( &::SireMol::PartialMolecule::name ); PartialMolecule_exposer.def( "name" , name_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::PartialMolecule::number typedef ::SireMol::MolNum ( ::SireMol::PartialMolecule::*number_function_type )( ) const; number_function_type number_function_value( &::SireMol::PartialMolecule::number ); PartialMolecule_exposer.def( "number" , number_function_value ); } PartialMolecule_exposer.def( bp::self != bp::self ); { //::SireMol::PartialMolecule::operator= typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::MoleculeView const & ) ; assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= ); PartialMolecule_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } { //::SireMol::PartialMolecule::operator= typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::PartialMolecule const & ) ; assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= ); PartialMolecule_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } PartialMolecule_exposer.def( bp::self == bp::self ); { //::SireMol::PartialMolecule::property typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*property_function_type )( ::SireBase::PropertyName const & ) const; property_function_type property_function_value( &::SireMol::PartialMolecule::property ); PartialMolecule_exposer.def( "property" , property_function_value , ( bp::arg("key") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::PartialMolecule::propertyKeys typedef ::QStringList ( ::SireMol::PartialMolecule::*propertyKeys_function_type )( ) const; propertyKeys_function_type propertyKeys_function_value( &::SireMol::PartialMolecule::propertyKeys ); PartialMolecule_exposer.def( "propertyKeys" , propertyKeys_function_value ); } { //::SireMol::PartialMolecule::selectedAll typedef bool ( ::SireMol::PartialMolecule::*selectedAll_function_type )( ) const; selectedAll_function_type selectedAll_function_value( &::SireMol::PartialMolecule::selectedAll ); PartialMolecule_exposer.def( "selectedAll" , selectedAll_function_value ); } { //::SireMol::PartialMolecule::selection typedef ::SireMol::AtomSelection ( ::SireMol::PartialMolecule::*selection_function_type )( ) const; selection_function_type selection_function_value( &::SireMol::PartialMolecule::selection ); PartialMolecule_exposer.def( "selection" , selection_function_value ); } { //::SireMol::PartialMolecule::toString typedef ::QString ( ::SireMol::PartialMolecule::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::PartialMolecule::toString ); PartialMolecule_exposer.def( "toString" , toString_function_value ); } { //::SireMol::PartialMolecule::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::PartialMolecule::typeName ); PartialMolecule_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::PartialMolecule::version typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ) const; version_function_type version_function_value( &::SireMol::PartialMolecule::version ); PartialMolecule_exposer.def( "version" , version_function_value ); } { //::SireMol::PartialMolecule::version typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ::SireBase::PropertyName const & ) const; version_function_type version_function_value( &::SireMol::PartialMolecule::version ); PartialMolecule_exposer.def( "version" , version_function_value , ( bp::arg("key") ) ); } PartialMolecule_exposer.staticmethod( "typeName" ); PartialMolecule_exposer.def( "__copy__", &__copy__); PartialMolecule_exposer.def( "__deepcopy__", &__copy__); PartialMolecule_exposer.def( "clone", &__copy__); PartialMolecule_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::PartialMolecule >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PartialMolecule_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::PartialMolecule >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PartialMolecule_exposer.def( "__str__", &__str__< ::SireMol::PartialMolecule > ); PartialMolecule_exposer.def( "__repr__", &__str__< ::SireMol::PartialMolecule > ); } }
void register_ResStructureEditor_class(){ { //::SireMol::ResStructureEditor typedef bp::class_< SireMol::ResStructureEditor > ResStructureEditor_exposer_t; ResStructureEditor_exposer_t ResStructureEditor_exposer = ResStructureEditor_exposer_t( "ResStructureEditor", "This is the class used to edit a residues structure\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") ); bp::scope ResStructureEditor_scope( ResStructureEditor_exposer ); ResStructureEditor_exposer.def( bp::init< SireMol::Residue const & >(( bp::arg("residue") ), "Construct an editor to edit the structure of a copy of the\nresidue residue") ); ResStructureEditor_exposer.def( bp::init< SireMol::StructureEditor const &, SireMol::ResIdx >(( bp::arg("data"), bp::arg("residx") ), "Construct an editor to edit the residue at index residx in the\neditor whose data is in data\nThrow: SireError::invalid_index\n") ); ResStructureEditor_exposer.def( bp::init< SireMol::ResStructureEditor const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMol::ResStructureEditor::add typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*add_function_type)( ::SireMol::AtomName const & ) ; add_function_type add_function_value( &::SireMol::ResStructureEditor::add ); ResStructureEditor_exposer.def( "add" , add_function_value , ( bp::arg("atomname") ) , "Add a new atom called name to this residue - this returns\nan editor that can be used to further edit this atom" ); } { //::SireMol::ResStructureEditor::add typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*add_function_type)( ::SireMol::AtomNum ) ; add_function_type add_function_value( &::SireMol::ResStructureEditor::add ); ResStructureEditor_exposer.def( "add" , add_function_value , ( bp::arg("atomnum") ) , "Add a new atom with the number number to this residue - this\nreturns an editor that can be used to further edit this atom" ); } { //::SireMol::ResStructureEditor::atom typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*atom_function_type)( int ) ; atom_function_type atom_function_value( &::SireMol::ResStructureEditor::atom ); ResStructureEditor_exposer.def( "atom" , atom_function_value , ( bp::arg("i") ) , "Return an editor for the ith atom in this residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::atom typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*atom_function_type)( ::SireMol::AtomID const & ) ; atom_function_type atom_function_value( &::SireMol::ResStructureEditor::atom ); ResStructureEditor_exposer.def( "atom" , atom_function_value , ( bp::arg("atomid") ) , "Return an editor for the atom with ID == atomid in\nthis residue\nThrow: SireMol::missing_atom\nThrow: SireMol::duplicate_atom\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::chain typedef ::SireMol::ChainStructureEditor ( ::SireMol::ResStructureEditor::*chain_function_type)( ) ; chain_function_type chain_function_value( &::SireMol::ResStructureEditor::chain ); ResStructureEditor_exposer.def( "chain" , chain_function_value , "Return an editor for the chain that contains this residue" ); } { //::SireMol::ResStructureEditor::commit typedef ::SireMol::Residue ( ::SireMol::ResStructureEditor::*commit_function_type)( ) const; commit_function_type commit_function_value( &::SireMol::ResStructureEditor::commit ); ResStructureEditor_exposer.def( "commit" , commit_function_value , "Commit the changes made by this editor and return the updated residue" ); } { //::SireMol::ResStructureEditor::index typedef ::SireMol::ResIdx ( ::SireMol::ResStructureEditor::*index_function_type)( ) const; index_function_type index_function_value( &::SireMol::ResStructureEditor::index ); ResStructureEditor_exposer.def( "index" , index_function_value , "Return the index of this residue in the molecule" ); } { //::SireMol::ResStructureEditor::molecule typedef ::SireMol::MolStructureEditor ( ::SireMol::ResStructureEditor::*molecule_function_type)( ) ; molecule_function_type molecule_function_value( &::SireMol::ResStructureEditor::molecule ); ResStructureEditor_exposer.def( "molecule" , molecule_function_value , "Return an editor for the molecule that contains this residue" ); } { //::SireMol::ResStructureEditor::nAtoms typedef int ( ::SireMol::ResStructureEditor::*nAtoms_function_type)( ) const; nAtoms_function_type nAtoms_function_value( &::SireMol::ResStructureEditor::nAtoms ); ResStructureEditor_exposer.def( "nAtoms" , nAtoms_function_value , "Return the number of atoms in this residue - this may be zero" ); } { //::SireMol::ResStructureEditor::name typedef ::SireMol::ResName const & ( ::SireMol::ResStructureEditor::*name_function_type)( ) const; name_function_type name_function_value( &::SireMol::ResStructureEditor::name ); ResStructureEditor_exposer.def( "name" , name_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the name of this residue" ); } { //::SireMol::ResStructureEditor::number typedef ::SireMol::ResNum ( ::SireMol::ResStructureEditor::*number_function_type)( ) const; number_function_type number_function_value( &::SireMol::ResStructureEditor::number ); ResStructureEditor_exposer.def( "number" , number_function_value , "Return the number of this residue" ); } { //::SireMol::ResStructureEditor::operator= typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*assign_function_type)( ::SireMol::Residue const & ) ; assign_function_type assign_function_value( &::SireMol::ResStructureEditor::operator= ); ResStructureEditor_exposer.def( "assign" , assign_function_value , ( bp::arg("residue") ) , bp::return_self< >() , "" ); } { //::SireMol::ResStructureEditor::operator= typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*assign_function_type)( ::SireMol::ResStructureEditor const & ) ; assign_function_type assign_function_value( &::SireMol::ResStructureEditor::operator= ); ResStructureEditor_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } { //::SireMol::ResStructureEditor::reindex typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*reindex_function_type)( ::SireMol::ResIdx ) ; reindex_function_type reindex_function_value( &::SireMol::ResStructureEditor::reindex ); ResStructureEditor_exposer.def( "reindex" , reindex_function_value , ( bp::arg("index") ) , bp::return_self< >() , "Change the index of this residue to newidx. If this\nis larger than the number of residues in the molecule\nthen this residue is moved to the end" ); } { //::SireMol::ResStructureEditor::remove typedef ::SireMol::MolStructureEditor ( ::SireMol::ResStructureEditor::*remove_function_type)( ) ; remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove ); ResStructureEditor_exposer.def( "remove" , remove_function_value , bp::return_self< >() , "Completely remove this residue from the molecule - this returns\na MolStructureEditor that can be used to further edit the molecule" ); } { //::SireMol::ResStructureEditor::remove typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*remove_function_type)( ::SireMol::AtomID const & ) ; remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove ); ResStructureEditor_exposer.def( "remove" , remove_function_value , ( bp::arg("atomid") ) , bp::return_self< >() , "Remove all atoms with ID atomid from this residue\nThrow: SireMol::missing_atom\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::remove typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*remove_function_type)( int ) ; remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove ); ResStructureEditor_exposer.def( "remove" , remove_function_value , ( bp::arg("i") ) , bp::return_self< >() , "Remove the ith atom from this residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::rename typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*rename_function_type)( ::SireMol::ResName const & ) ; rename_function_type rename_function_value( &::SireMol::ResStructureEditor::rename ); ResStructureEditor_exposer.def( "rename" , rename_function_value , ( bp::arg("name") ) , bp::return_self< >() , "Rename this residue to newname" ); } { //::SireMol::ResStructureEditor::renumber typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*renumber_function_type)( ::SireMol::ResNum ) ; renumber_function_type renumber_function_value( &::SireMol::ResStructureEditor::renumber ); ResStructureEditor_exposer.def( "renumber" , renumber_function_value , ( bp::arg("number") ) , bp::return_self< >() , "Renumber this residue to newnum" ); } { //::SireMol::ResStructureEditor::reparent typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*reparent_function_type)( ::SireMol::ChainID const & ) ; reparent_function_type reparent_function_value( &::SireMol::ResStructureEditor::reparent ); ResStructureEditor_exposer.def( "reparent" , reparent_function_value , ( bp::arg("chainid") ) , bp::return_self< >() , "Move this residue into the chain with ID chainid\nThrow: SireMol::missing_chain\nThrow: SireMol::duplicate_chain\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::select typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*select_function_type)( int ) ; select_function_type select_function_value( &::SireMol::ResStructureEditor::select ); ResStructureEditor_exposer.def( "select" , select_function_value , ( bp::arg("i") ) , "Return an editor for the ith atom in this residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::select typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*select_function_type)( ::SireMol::AtomID const & ) ; select_function_type select_function_value( &::SireMol::ResStructureEditor::select ); ResStructureEditor_exposer.def( "select" , select_function_value , ( bp::arg("atomid") ) , "Return an editor for the atom with ID == atomid in\nthis residue\nThrow: SireMol::missing_atom\nThrow: SireMol::duplicate_atom\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::selectedAll typedef bool ( ::SireMol::ResStructureEditor::*selectedAll_function_type)( ) const; selectedAll_function_type selectedAll_function_value( &::SireMol::ResStructureEditor::selectedAll ); ResStructureEditor_exposer.def( "selectedAll" , selectedAll_function_value , "Is this editor editing the entire molecule?" ); } { //::SireMol::ResStructureEditor::toString typedef ::QString ( ::SireMol::ResStructureEditor::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMol::ResStructureEditor::toString ); ResStructureEditor_exposer.def( "toString" , toString_function_value , "Return a string representation of this editor" ); } { //::SireMol::ResStructureEditor::transfer typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transfer_function_type)( ::SireMol::AtomID const &,::SireMol::ResID const & ) ; transfer_function_type transfer_function_value( &::SireMol::ResStructureEditor::transfer ); ResStructureEditor_exposer.def( "transfer" , transfer_function_value , ( bp::arg("atomid"), bp::arg("resid") ) , bp::return_self< >() , "Transfer all atoms that match the ID atomid into the residue that\nmatches the ID resid\nThrow: SireMol::missing_atom\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::transfer typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transfer_function_type)( int,::SireMol::ResID const & ) ; transfer_function_type transfer_function_value( &::SireMol::ResStructureEditor::transfer ); ResStructureEditor_exposer.def( "transfer" , transfer_function_value , ( bp::arg("i"), bp::arg("resid") ) , bp::return_self< >() , "Transfer the ith atom from this residue into the residue that\nmatches the ID resid\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::transferAll typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transferAll_function_type)( ::SireMol::ResID const & ) ; transferAll_function_type transferAll_function_value( &::SireMol::ResStructureEditor::transferAll ); ResStructureEditor_exposer.def( "transferAll" , transferAll_function_value , ( bp::arg("resid") ) , bp::return_self< >() , "Transfer all atoms from this residue into the residue with ID resid\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" ); } { //::SireMol::ResStructureEditor::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::ResStructureEditor::typeName ); ResStructureEditor_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMol::ResStructureEditor::what typedef char const * ( ::SireMol::ResStructureEditor::*what_function_type)( ) const; what_function_type what_function_value( &::SireMol::ResStructureEditor::what ); ResStructureEditor_exposer.def( "what" , what_function_value , "" ); } ResStructureEditor_exposer.staticmethod( "typeName" ); ResStructureEditor_exposer.def( "__copy__", &__copy__); ResStructureEditor_exposer.def( "__deepcopy__", &__copy__); ResStructureEditor_exposer.def( "clone", &__copy__); ResStructureEditor_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::ResStructureEditor >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ResStructureEditor_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::ResStructureEditor >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ResStructureEditor_exposer.def( "__str__", &__str__< ::SireMol::ResStructureEditor > ); ResStructureEditor_exposer.def( "__repr__", &__str__< ::SireMol::ResStructureEditor > ); } }