void register_InternalParameters3D_class(){ { //::SireMM::InternalParameters3D typedef bp::class_< SireMM::InternalParameters3D, bp::bases< SireMM::InternalParameters > > InternalParameters3D_exposer_t; InternalParameters3D_exposer_t InternalParameters3D_exposer = InternalParameters3D_exposer_t( "InternalParameters3D", "This class holds intramolecular bonding parameters for 3D molecules\n(so it also contains the 3D coordinates of the molecule)\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") ); bp::scope InternalParameters3D_scope( InternalParameters3D_exposer ); InternalParameters3D_exposer.def( bp::init< SireMol::PartialMolecule const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, bool >(( bp::arg("molecule"), bp::arg("coords_property"), bp::arg("bond_params"), bp::arg("angle_params"), bp::arg("dihedral_params"), bp::arg("improper_params"), bp::arg("ub_params"), bp::arg("ss_params"), bp::arg("sb_params"), bp::arg("bb_params"), bp::arg("sbt_params"), bp::arg("isstrict") ), "Construct, creating the parameters from the passed molecule\nusing the supplied property names\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\nThrow: SireError::incompatible_error\n") ); InternalParameters3D_exposer.def( bp::init< SireMM::InternalParameters3D const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMM::InternalParameters3D::addChangedGroups typedef void ( ::SireMM::InternalParameters3D::*addChangedGroups_function_type)( ::SireMM::InternalParameters3D const &,::QSet< unsigned int > & ) const; addChangedGroups_function_type addChangedGroups_function_value( &::SireMM::InternalParameters3D::addChangedGroups ); InternalParameters3D_exposer.def( "addChangedGroups" , addChangedGroups_function_value , ( bp::arg("other"), bp::arg("changed_groups") ) , "Add the changed groups that are different in other compared to this\nto changed_groups" ); } { //::SireMM::InternalParameters3D::applyMask typedef ::SireMM::InternalParameters3D ( ::SireMM::InternalParameters3D::*applyMask_function_type)( ::QSet< unsigned int > const & ) const; applyMask_function_type applyMask_function_value( &::SireMM::InternalParameters3D::applyMask ); InternalParameters3D_exposer.def( "applyMask" , applyMask_function_value , ( bp::arg("cgidxs") ) , "Mask these parameters so that only the parameters for the CutGroups\nwhose indicies are in cgidxs are contained." ); } { //::SireMM::InternalParameters3D::atomicCoordinates typedef ::SireVol::CoordGroupArray const & ( ::SireMM::InternalParameters3D::*atomicCoordinates_function_type)( ) const; atomicCoordinates_function_type atomicCoordinates_function_value( &::SireMM::InternalParameters3D::atomicCoordinates ); InternalParameters3D_exposer.def( "atomicCoordinates" , atomicCoordinates_function_value , bp::return_value_policy< bp::copy_const_reference >() , "Return the coordinates" ); } { //::SireMM::InternalParameters3D::changedAllGroups typedef bool ( ::SireMM::InternalParameters3D::*changedAllGroups_function_type)( ::SireMM::InternalParameters3D const & ) const; changedAllGroups_function_type changedAllGroups_function_value( &::SireMM::InternalParameters3D::changedAllGroups ); InternalParameters3D_exposer.def( "changedAllGroups" , changedAllGroups_function_value , ( bp::arg("other") ) , "Return whether or not all of the CutGroup have changed compared to other" ); } { //::SireMM::InternalParameters3D::getChangedGroups typedef ::QSet< unsigned int > ( ::SireMM::InternalParameters3D::*getChangedGroups_function_type)( ::SireMM::InternalParameters3D const & ) const; getChangedGroups_function_type getChangedGroups_function_value( &::SireMM::InternalParameters3D::getChangedGroups ); InternalParameters3D_exposer.def( "getChangedGroups" , getChangedGroups_function_value , ( bp::arg("other") ) , "Return the indicies of the CutGroups that have changed in other compared\nto this set of parameters" ); } { //::SireMM::InternalParameters3D::nCutGroups typedef int ( ::SireMM::InternalParameters3D::*nCutGroups_function_type)( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireMM::InternalParameters3D::nCutGroups ); InternalParameters3D_exposer.def( "nCutGroups" , nCutGroups_function_value , "Return the number of CutGroups in the molecule whose parameters are\ncontained in this object" ); } InternalParameters3D_exposer.def( bp::self != bp::self ); { //::SireMM::InternalParameters3D::operator= typedef ::SireMM::InternalParameters3D & ( ::SireMM::InternalParameters3D::*assign_function_type)( ::SireMM::InternalParameters3D const & ) ; assign_function_type assign_function_value( &::SireMM::InternalParameters3D::operator= ); InternalParameters3D_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } InternalParameters3D_exposer.def( bp::self == bp::self ); { //::SireMM::InternalParameters3D::setAtomicCoordinates typedef void ( ::SireMM::InternalParameters3D::*setAtomicCoordinates_function_type)( ::SireFF::detail::AtomicCoords3D const & ) ; setAtomicCoordinates_function_type setAtomicCoordinates_function_value( &::SireMM::InternalParameters3D::setAtomicCoordinates ); InternalParameters3D_exposer.def( "setAtomicCoordinates" , setAtomicCoordinates_function_value , ( bp::arg("coords") ) , "Set the coordinates used by these parameters" ); } { //::SireMM::InternalParameters3D::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::InternalParameters3D::typeName ); InternalParameters3D_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMM::InternalParameters3D::what typedef char const * ( ::SireMM::InternalParameters3D::*what_function_type)( ) const; what_function_type what_function_value( &::SireMM::InternalParameters3D::what ); InternalParameters3D_exposer.def( "what" , what_function_value , "" ); } InternalParameters3D_exposer.staticmethod( "typeName" ); InternalParameters3D_exposer.def( "__copy__", &__copy__); InternalParameters3D_exposer.def( "__deepcopy__", &__copy__); InternalParameters3D_exposer.def( "clone", &__copy__); InternalParameters3D_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::InternalParameters3D >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); InternalParameters3D_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::InternalParameters3D >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); InternalParameters3D_exposer.def( "__str__", &pvt_get_name); InternalParameters3D_exposer.def( "__repr__", &pvt_get_name); } }
void register_MolPotentialTable_class(){ { //::SireFF::MolPotentialTable typedef bp::class_< SireFF::MolPotentialTable > MolPotentialTable_exposer_t; MolPotentialTable_exposer_t MolPotentialTable_exposer = MolPotentialTable_exposer_t( "MolPotentialTable", bp::init< >() ); bp::scope MolPotentialTable_scope( MolPotentialTable_exposer ); MolPotentialTable_exposer.def( bp::init< SireMol::MoleculeView const & >(( bp::arg("molview") )) ); MolPotentialTable_exposer.def( bp::init< SireFF::MolPotentialTable const & >(( bp::arg("other") )) ); { //::SireFF::MolPotentialTable::add typedef bool ( ::SireFF::MolPotentialTable::*add_function_type )( ::SireMol::CGAtomIdx const &,::SireUnits::Dimension::MolarEnergy const & ) ; add_function_type add_function_value( &::SireFF::MolPotentialTable::add ); MolPotentialTable_exposer.def( "add" , add_function_value , ( bp::arg("cgatomidx"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::add typedef bool ( ::SireFF::MolPotentialTable::*add_function_type )( ::SireMol::AtomSelection const &,::SireUnits::Dimension::MolarEnergy const & ) ; add_function_type add_function_value( &::SireFF::MolPotentialTable::add ); MolPotentialTable_exposer.def( "add" , add_function_value , ( bp::arg("selected_atoms"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::add typedef void ( ::SireFF::MolPotentialTable::*add_function_type )( ::SireFF::MolPotentialTable const & ) ; add_function_type add_function_value( &::SireFF::MolPotentialTable::add ); MolPotentialTable_exposer.def( "add" , add_function_value , ( bp::arg("other") ) ); } { //::SireFF::MolPotentialTable::add typedef void ( ::SireFF::MolPotentialTable::*add_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ; add_function_type add_function_value( &::SireFF::MolPotentialTable::add ); MolPotentialTable_exposer.def( "add" , add_function_value , ( bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::divide typedef void ( ::SireFF::MolPotentialTable::*divide_function_type )( double ) ; divide_function_type divide_function_value( &::SireFF::MolPotentialTable::divide ); MolPotentialTable_exposer.def( "divide" , divide_function_value , ( bp::arg("value") ) ); } { //::SireFF::MolPotentialTable::initialise typedef void ( ::SireFF::MolPotentialTable::*initialise_function_type )( ) ; initialise_function_type initialise_function_value( &::SireFF::MolPotentialTable::initialise ); MolPotentialTable_exposer.def( "initialise" , initialise_function_value ); } { //::SireFF::MolPotentialTable::map typedef int ( ::SireFF::MolPotentialTable::*map_function_type )( ::SireMol::CGIdx ) const; map_function_type map_function_value( &::SireFF::MolPotentialTable::map ); MolPotentialTable_exposer.def( "map" , map_function_value , ( bp::arg("cgidx") ) ); } { //::SireFF::MolPotentialTable::molNum typedef ::SireMol::MolNum ( ::SireFF::MolPotentialTable::*molNum_function_type )( ) const; molNum_function_type molNum_function_value( &::SireFF::MolPotentialTable::molNum ); MolPotentialTable_exposer.def( "molNum" , molNum_function_value ); } { //::SireFF::MolPotentialTable::molUID typedef ::QUuid const & ( ::SireFF::MolPotentialTable::*molUID_function_type )( ) const; molUID_function_type molUID_function_value( &::SireFF::MolPotentialTable::molUID ); MolPotentialTable_exposer.def( "molUID" , molUID_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireFF::MolPotentialTable::multiply typedef void ( ::SireFF::MolPotentialTable::*multiply_function_type )( double ) ; multiply_function_type multiply_function_value( &::SireFF::MolPotentialTable::multiply ); MolPotentialTable_exposer.def( "multiply" , multiply_function_value , ( bp::arg("value") ) ); } { //::SireFF::MolPotentialTable::nCutGroups typedef int ( ::SireFF::MolPotentialTable::*nCutGroups_function_type )( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireFF::MolPotentialTable::nCutGroups ); MolPotentialTable_exposer.def( "nCutGroups" , nCutGroups_function_value ); } { //::SireFF::MolPotentialTable::nSelectedCutGroups typedef int ( ::SireFF::MolPotentialTable::*nSelectedCutGroups_function_type )( ) const; nSelectedCutGroups_function_type nSelectedCutGroups_function_value( &::SireFF::MolPotentialTable::nSelectedCutGroups ); MolPotentialTable_exposer.def( "nSelectedCutGroups" , nSelectedCutGroups_function_value ); } MolPotentialTable_exposer.def( bp::self != bp::self ); MolPotentialTable_exposer.def( bp::self * bp::other< double >() ); MolPotentialTable_exposer.def( bp::self + bp::self ); MolPotentialTable_exposer.def( bp::self + bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() ); MolPotentialTable_exposer.def( bp::self - bp::self ); MolPotentialTable_exposer.def( bp::self - bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() ); MolPotentialTable_exposer.def( -bp::self ); MolPotentialTable_exposer.def( bp::self / bp::other< double >() ); { //::SireFF::MolPotentialTable::operator= typedef ::SireFF::MolPotentialTable & ( ::SireFF::MolPotentialTable::*assign_function_type )( ::SireFF::MolPotentialTable const & ) ; assign_function_type assign_function_value( &::SireFF::MolPotentialTable::operator= ); MolPotentialTable_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } { //::SireFF::MolPotentialTable::operator= typedef ::SireFF::MolPotentialTable & ( ::SireFF::MolPotentialTable::*assign_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ; assign_function_type assign_function_value( &::SireFF::MolPotentialTable::operator= ); MolPotentialTable_exposer.def( "assign" , assign_function_value , ( bp::arg("potential") ) , bp::return_self< >() ); } MolPotentialTable_exposer.def( bp::self == bp::self ); { //::SireFF::MolPotentialTable::selected typedef bool ( ::SireFF::MolPotentialTable::*selected_function_type )( ::SireMol::CGIdx ) const; selected_function_type selected_function_value( &::SireFF::MolPotentialTable::selected ); MolPotentialTable_exposer.def( "selected" , selected_function_value , ( bp::arg("cgidx") ) ); } { //::SireFF::MolPotentialTable::selectedAll typedef bool ( ::SireFF::MolPotentialTable::*selectedAll_function_type )( ) const; selectedAll_function_type selectedAll_function_value( &::SireFF::MolPotentialTable::selectedAll ); MolPotentialTable_exposer.def( "selectedAll" , selectedAll_function_value ); } { //::SireFF::MolPotentialTable::setAll typedef void ( ::SireFF::MolPotentialTable::*setAll_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ; setAll_function_type setAll_function_value( &::SireFF::MolPotentialTable::setAll ); MolPotentialTable_exposer.def( "setAll" , setAll_function_value , ( bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::subtract typedef bool ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireMol::CGAtomIdx const &,::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("cgatomidx"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::subtract typedef bool ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireMol::AtomSelection const &,::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("selected_atoms"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::subtract typedef void ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireFF::MolPotentialTable const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("other") ) ); } { //::SireFF::MolPotentialTable::subtract typedef void ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::toVector typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::MolPotentialTable::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireFF::MolPotentialTable::toVector ); MolPotentialTable_exposer.def( "toVector" , toVector_function_value ); } { //::SireFF::MolPotentialTable::toVector typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::MolPotentialTable::*toVector_function_type )( ::SireMol::AtomSelection const & ) const; toVector_function_type toVector_function_value( &::SireFF::MolPotentialTable::toVector ); MolPotentialTable_exposer.def( "toVector" , toVector_function_value , ( bp::arg("selection") ) ); } { //::SireFF::MolPotentialTable::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::MolPotentialTable::typeName ); MolPotentialTable_exposer.def( "typeName" , typeName_function_value ); } { //::SireFF::MolPotentialTable::what typedef char const * ( ::SireFF::MolPotentialTable::*what_function_type )( ) const; what_function_type what_function_value( &::SireFF::MolPotentialTable::what ); MolPotentialTable_exposer.def( "what" , what_function_value ); } MolPotentialTable_exposer.staticmethod( "typeName" ); MolPotentialTable_exposer.def( "__copy__", &__copy__); MolPotentialTable_exposer.def( "__deepcopy__", &__copy__); MolPotentialTable_exposer.def( "clone", &__copy__); MolPotentialTable_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::MolPotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolPotentialTable_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::MolPotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolPotentialTable_exposer.def( "__str__", &__str__< ::SireFF::MolPotentialTable > ); MolPotentialTable_exposer.def( "__repr__", &__str__< ::SireFF::MolPotentialTable > ); MolPotentialTable_exposer.def( "__len__", &__len_size< ::SireFF::MolPotentialTable > ); } }
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_InternalParameters3D_class(){ { //::SireMM::InternalParameters3D typedef bp::class_< SireMM::InternalParameters3D, bp::bases< SireMM::InternalParameters > > InternalParameters3D_exposer_t; InternalParameters3D_exposer_t InternalParameters3D_exposer = InternalParameters3D_exposer_t( "InternalParameters3D", bp::init< >() ); bp::scope InternalParameters3D_scope( InternalParameters3D_exposer ); InternalParameters3D_exposer.def( bp::init< SireMol::PartialMolecule const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, SireBase::PropertyName const &, bool >(( bp::arg("molecule"), bp::arg("coords_property"), bp::arg("bond_params"), bp::arg("angle_params"), bp::arg("dihedral_params"), bp::arg("improper_params"), bp::arg("ub_params"), bp::arg("ss_params"), bp::arg("sb_params"), bp::arg("bb_params"), bp::arg("sbt_params"), bp::arg("isstrict") )) ); InternalParameters3D_exposer.def( bp::init< SireMM::InternalParameters3D const & >(( bp::arg("other") )) ); { //::SireMM::InternalParameters3D::addChangedGroups typedef void ( ::SireMM::InternalParameters3D::*addChangedGroups_function_type )( ::SireMM::InternalParameters3D const &,::QSet< unsigned int > & ) const; addChangedGroups_function_type addChangedGroups_function_value( &::SireMM::InternalParameters3D::addChangedGroups ); InternalParameters3D_exposer.def( "addChangedGroups" , addChangedGroups_function_value , ( bp::arg("other"), bp::arg("changed_groups") ) ); } { //::SireMM::InternalParameters3D::applyMask typedef ::SireMM::InternalParameters3D ( ::SireMM::InternalParameters3D::*applyMask_function_type )( ::QSet< unsigned int > const & ) const; applyMask_function_type applyMask_function_value( &::SireMM::InternalParameters3D::applyMask ); InternalParameters3D_exposer.def( "applyMask" , applyMask_function_value , ( bp::arg("cgidxs") ) ); } { //::SireMM::InternalParameters3D::atomicCoordinates typedef ::SireVol::CoordGroupArray const & ( ::SireMM::InternalParameters3D::*atomicCoordinates_function_type )( ) const; atomicCoordinates_function_type atomicCoordinates_function_value( &::SireMM::InternalParameters3D::atomicCoordinates ); InternalParameters3D_exposer.def( "atomicCoordinates" , atomicCoordinates_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMM::InternalParameters3D::changedAllGroups typedef bool ( ::SireMM::InternalParameters3D::*changedAllGroups_function_type )( ::SireMM::InternalParameters3D const & ) const; changedAllGroups_function_type changedAllGroups_function_value( &::SireMM::InternalParameters3D::changedAllGroups ); InternalParameters3D_exposer.def( "changedAllGroups" , changedAllGroups_function_value , ( bp::arg("other") ) ); } { //::SireMM::InternalParameters3D::getChangedGroups typedef ::QSet< unsigned int > ( ::SireMM::InternalParameters3D::*getChangedGroups_function_type )( ::SireMM::InternalParameters3D const & ) const; getChangedGroups_function_type getChangedGroups_function_value( &::SireMM::InternalParameters3D::getChangedGroups ); InternalParameters3D_exposer.def( "getChangedGroups" , getChangedGroups_function_value , ( bp::arg("other") ) ); } { //::SireMM::InternalParameters3D::nCutGroups typedef int ( ::SireMM::InternalParameters3D::*nCutGroups_function_type )( ) const; nCutGroups_function_type nCutGroups_function_value( &::SireMM::InternalParameters3D::nCutGroups ); InternalParameters3D_exposer.def( "nCutGroups" , nCutGroups_function_value ); } InternalParameters3D_exposer.def( bp::self != bp::self ); { //::SireMM::InternalParameters3D::operator= typedef ::SireMM::InternalParameters3D & ( ::SireMM::InternalParameters3D::*assign_function_type )( ::SireMM::InternalParameters3D const & ) ; assign_function_type assign_function_value( &::SireMM::InternalParameters3D::operator= ); InternalParameters3D_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } InternalParameters3D_exposer.def( bp::self == bp::self ); { //::SireMM::InternalParameters3D::setAtomicCoordinates typedef void ( ::SireMM::InternalParameters3D::*setAtomicCoordinates_function_type )( ::SireFF::detail::AtomicCoords3D const & ) ; setAtomicCoordinates_function_type setAtomicCoordinates_function_value( &::SireMM::InternalParameters3D::setAtomicCoordinates ); InternalParameters3D_exposer.def( "setAtomicCoordinates" , setAtomicCoordinates_function_value , ( bp::arg("coords") ) ); } { //::SireMM::InternalParameters3D::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::InternalParameters3D::typeName ); InternalParameters3D_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::InternalParameters3D::what typedef char const * ( ::SireMM::InternalParameters3D::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::InternalParameters3D::what ); InternalParameters3D_exposer.def( "what" , what_function_value ); } InternalParameters3D_exposer.staticmethod( "typeName" ); InternalParameters3D_exposer.def( "__copy__", &__copy__); InternalParameters3D_exposer.def( "__deepcopy__", &__copy__); InternalParameters3D_exposer.def( "clone", &__copy__); InternalParameters3D_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::InternalParameters3D >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); InternalParameters3D_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::InternalParameters3D >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); InternalParameters3D_exposer.def( "__str__", &pvt_get_name); InternalParameters3D_exposer.def( "__repr__", &pvt_get_name); } }
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 > ); } }