void register_ResID_class(){ { //::SireMol::ResID typedef bp::class_< SireMol::ResID, bp::bases< SireID::ID >, boost::noncopyable > ResID_exposer_t; ResID_exposer_t ResID_exposer = ResID_exposer_t( "ResID", bp::no_init ); bp::scope ResID_scope( ResID_exposer ); { //::SireMol::ResID::atom typedef ::SireMol::AtomsIn< SireMol::ResID > ( ::SireMol::ResID::*atom_function_type )( int ) const; atom_function_type atom_function_value( &::SireMol::ResID::atom ); ResID_exposer.def( "atom" , atom_function_value , ( bp::arg("i") ) ); } { //::SireMol::ResID::atoms typedef ::SireMol::AtomsIn< SireMol::ResID > ( ::SireMol::ResID::*atoms_function_type )( ) const; atoms_function_type atoms_function_value( &::SireMol::ResID::atoms ); ResID_exposer.def( "atoms" , atoms_function_value ); } { //::SireMol::ResID::atoms typedef ::SireMol::AtomsIn< SireMol::ResID > ( ::SireMol::ResID::*atoms_function_type )( int,int ) const; atoms_function_type atoms_function_value( &::SireMol::ResID::atoms ); ResID_exposer.def( "atoms" , atoms_function_value , ( bp::arg("i"), bp::arg("j") ) ); } { //::SireMol::ResID::chains typedef ::SireMol::ChainsWithRes ( ::SireMol::ResID::*chains_function_type )( ) const; chains_function_type chains_function_value( &::SireMol::ResID::chains ); ResID_exposer.def( "chains" , chains_function_value ); } { //::SireMol::ResID::map typedef ::QList< SireMol::ResIdx > ( ::SireMol::ResID::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::ResID::map ); ResID_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::ResID::map typedef ::QList< SireMol::ResIdx > ( ::SireMol::ResID::*map_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; map_function_type map_function_value( &::SireMol::ResID::map ); ResID_exposer.def( "map" , map_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) ); } ResID_exposer.def( bp::self & bp::self ); ResID_exposer.def( bp::self & bp::other< SireMol::ChainID >() ); ResID_exposer.def( bp::self & bp::other< SireMol::AtomID >() ); ResID_exposer.def( bp::self & bp::other< SireMol::SegID >() ); ResID_exposer.def( bp::self & bp::other< SireMol::CGID >() ); { //::SireMol::ResID::operator() typedef ::SireID::Specify< SireMol::ResID > ( ::SireMol::ResID::*__call___function_type )( int ) const; __call___function_type __call___function_value( &::SireMol::ResID::operator() ); ResID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) ); } { //::SireMol::ResID::operator() typedef ::SireID::Specify< SireMol::ResID > ( ::SireMol::ResID::*__call___function_type )( int,int ) const; __call___function_type __call___function_value( &::SireMol::ResID::operator() ); ResID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) ); } ResID_exposer.def( bp::self * bp::self ); ResID_exposer.def( bp::self + bp::self ); ResID_exposer.def( bp::self + bp::other< SireMol::ChainID >() ); ResID_exposer.def( bp::self + bp::other< SireMol::AtomID >() ); ResID_exposer.def( bp::self + bp::other< SireMol::SegID >() ); ResID_exposer.def( bp::self + bp::other< SireMol::CGID >() ); { //::SireMol::ResID::operator[] typedef ::SireID::Specify< SireMol::ResID > ( ::SireMol::ResID::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireMol::ResID::operator[] ); ResID_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) ); } ResID_exposer.def( bp::self | bp::self ); { //::SireMol::ResID::selectAllFrom typedef ::SireMol::Selector< SireMol::Residue > ( ::SireMol::ResID::*selectAllFrom_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ResID::selectAllFrom ); ResID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::ResID::*selectAllFrom_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ResID::selectAllFrom ); ResID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::ResID::*selectAllFrom_function_type )( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ResID::selectAllFrom ); ResID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::ResID::*selectAllFrom_function_type )( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ResID::selectAllFrom ); ResID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectFrom typedef ::SireMol::Residue ( ::SireMol::ResID::*selectFrom_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ResID::selectFrom ); ResID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectFrom typedef ::SireMol::Residue ( ::SireMol::ResID::*selectFrom_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ResID::selectFrom ); ResID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectFrom typedef ::SireMol::Residue ( ::SireMol::ResID::*selectFrom_function_type )( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ResID::selectFrom ); ResID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::selectFrom typedef ::SireMol::Residue ( ::SireMol::ResID::*selectFrom_function_type )( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ResID::selectFrom ); ResID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::ResID::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::ResID::typeName ); ResID_exposer.def( "typeName" , typeName_function_value ); } ResID_exposer.staticmethod( "typeName" ); ResID_exposer.def( "__str__", &__str__< ::SireMol::ResID > ); ResID_exposer.def( "__repr__", &__str__< ::SireMol::ResID > ); } }
void register_ChainID_class(){ { //::SireMol::ChainID typedef bp::class_< SireMol::ChainID, bp::bases< SireID::ID >, boost::noncopyable > ChainID_exposer_t; ChainID_exposer_t ChainID_exposer = ChainID_exposer_t( "ChainID", "This is the base class of all identifiers that are used\nto identify a chain within a molecule\n\nAuthor: Christopher Woods\n", bp::no_init ); bp::scope ChainID_scope( ChainID_exposer ); { //::SireMol::ChainID::atom typedef ::SireMol::AtomsIn< SireMol::ChainID > ( ::SireMol::ChainID::*atom_function_type)( int ) const; atom_function_type atom_function_value( &::SireMol::ChainID::atom ); ChainID_exposer.def( "atom" , atom_function_value , ( bp::arg("i") ) , "Return a specific atom in the matching residues" ); } { //::SireMol::ChainID::atoms typedef ::SireMol::AtomsIn< SireMol::ChainID > ( ::SireMol::ChainID::*atoms_function_type)( ) const; atoms_function_type atoms_function_value( &::SireMol::ChainID::atoms ); ChainID_exposer.def( "atoms" , atoms_function_value , "Return the atoms in the matching residues" ); } { //::SireMol::ChainID::atoms typedef ::SireMol::AtomsIn< SireMol::ChainID > ( ::SireMol::ChainID::*atoms_function_type)( int,int ) const; atoms_function_type atoms_function_value( &::SireMol::ChainID::atoms ); ChainID_exposer.def( "atoms" , atoms_function_value , ( bp::arg("i"), bp::arg("j") ) , "Return a range of atoms in the matching residues" ); } { //::SireMol::ChainID::map typedef ::QList< SireMol::ChainIdx > ( ::SireMol::ChainID::*map_function_type)( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::ChainID::map ); ChainID_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) , "Map this ID back to the indicies of the chains in the molecule,\nusing the passed MoleculeInfo to do the mapping" ); } { //::SireMol::ChainID::map typedef ::QList< SireMol::ChainIdx > ( ::SireMol::ChainID::*map_function_type)( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; map_function_type map_function_value( &::SireMol::ChainID::map ); ChainID_exposer.def( "map" , map_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) , "Map this ChainID to the chains in the passed molecule view\nThrow: SireMol::missing_chain\nThrow: SireError::invalid_index\n" ); } ChainID_exposer.def( bp::self & bp::self ); ChainID_exposer.def( bp::self & bp::other< SireMol::ResID >() ); ChainID_exposer.def( bp::self & bp::other< SireMol::AtomID >() ); ChainID_exposer.def( bp::self & bp::other< SireMol::SegID >() ); ChainID_exposer.def( bp::self & bp::other< SireMol::CGID >() ); { //::SireMol::ChainID::operator() typedef ::SireID::Specify< SireMol::ChainID > ( ::SireMol::ChainID::*__call___function_type)( int ) const; __call___function_type __call___function_value( &::SireMol::ChainID::operator() ); ChainID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) , "" ); } { //::SireMol::ChainID::operator() typedef ::SireID::Specify< SireMol::ChainID > ( ::SireMol::ChainID::*__call___function_type)( int,int ) const; __call___function_type __call___function_value( &::SireMol::ChainID::operator() ); ChainID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) , "" ); } ChainID_exposer.def( bp::self * bp::self ); ChainID_exposer.def( bp::self + bp::self ); ChainID_exposer.def( bp::self + bp::other< SireMol::ResID >() ); ChainID_exposer.def( bp::self + bp::other< SireMol::AtomID >() ); ChainID_exposer.def( bp::self + bp::other< SireMol::SegID >() ); ChainID_exposer.def( bp::self + bp::other< SireMol::CGID >() ); { //::SireMol::ChainID::operator[] typedef ::SireID::Specify< SireMol::ChainID > ( ::SireMol::ChainID::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireMol::ChainID::operator[] ); ChainID_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , "" ); } ChainID_exposer.def( bp::self | bp::self ); { //::SireMol::ChainID::residue typedef ::SireMol::ResIn< SireMol::ChainID > ( ::SireMol::ChainID::*residue_function_type)( int ) const; residue_function_type residue_function_value( &::SireMol::ChainID::residue ); ChainID_exposer.def( "residue" , residue_function_value , ( bp::arg("i") ) , "Return a specific atom in the matching residues" ); } { //::SireMol::ChainID::residues typedef ::SireMol::ResIn< SireMol::ChainID > ( ::SireMol::ChainID::*residues_function_type)( ) const; residues_function_type residues_function_value( &::SireMol::ChainID::residues ); ChainID_exposer.def( "residues" , residues_function_value , "Return the atoms in the matching residues" ); } { //::SireMol::ChainID::residues typedef ::SireMol::ResIn< SireMol::ChainID > ( ::SireMol::ChainID::*residues_function_type)( int,int ) const; residues_function_type residues_function_value( &::SireMol::ChainID::residues ); ChainID_exposer.def( "residues" , residues_function_value , ( bp::arg("i"), bp::arg("j") ) , "Return a range of atoms in the matching residues" ); } { //::SireMol::ChainID::selectAllFrom typedef ::SireMol::Selector< SireMol::Chain > ( ::SireMol::ChainID::*selectAllFrom_function_type)( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ChainID::selectAllFrom ); ChainID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) , "Select all the chains from the passed view that match this ID\nThrow: SireMol::missing_chain\nThrow: SireError::invalid_index\nThrow: SireMol::duplicate_chain\n" ); } { //::SireMol::ChainID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Chain > > ( ::SireMol::ChainID::*selectAllFrom_function_type)( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ChainID::selectAllFrom ); ChainID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) , "Return all of the chains from the molecules that match\nthis ID\nThrow: SireMol::missing_chain\n" ); } { //::SireMol::ChainID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Chain > > ( ::SireMol::ChainID::*selectAllFrom_function_type)( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ChainID::selectAllFrom ); ChainID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the chains from the molecule group molgroup that match\nthis ID\nThrow: SireMol::missing_chain\n" ); } { //::SireMol::ChainID::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Chain > > ( ::SireMol::ChainID::*selectAllFrom_function_type)( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::ChainID::selectAllFrom ); ChainID_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the set of chains that match this ID in the molecule groups\nset molgroups\nThrow: SireMol::missing_chain\n" ); } { //::SireMol::ChainID::selectFrom typedef ::SireMol::Chain ( ::SireMol::ChainID::*selectFrom_function_type)( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ChainID::selectFrom ); ChainID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) , "Select the chain from the passed view that matches this ID\nThrow: SireMol::missing_chain\nThrow: SireError::invalid_index\nThrow: SireMol::duplicate_chain\n" ); } { //::SireMol::ChainID::selectFrom typedef ::SireMol::Chain ( ::SireMol::ChainID::*selectFrom_function_type)( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ChainID::selectFrom ); ChainID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the chain from the molecules molecules that matches\nthis ID\nThrow: SireMol::missing_chain\nThrow: SireMol::duplicate_chain\n" ); } { //::SireMol::ChainID::selectFrom typedef ::SireMol::Chain ( ::SireMol::ChainID::*selectFrom_function_type)( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ChainID::selectFrom ); ChainID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the chain from the molecule group molgroup that matches\nthis ID\nThrow: SireMol::missing_chain\nThrow: SireMol::duplicate_chain\n" ); } { //::SireMol::ChainID::selectFrom typedef ::SireMol::Chain ( ::SireMol::ChainID::*selectFrom_function_type)( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectFrom_function_type selectFrom_function_value( &::SireMol::ChainID::selectFrom ); ChainID_exposer.def( "selectFrom" , selectFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the chain from the molecule groups molgroups that matches\nthis ID\nThrow: SireMol::missing_chain\nThrow: SireMol::duplicate_chain\n" ); } { //::SireMol::ChainID::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::ChainID::typeName ); ChainID_exposer.def( "typeName" , typeName_function_value , "" ); } ChainID_exposer.staticmethod( "typeName" ); ChainID_exposer.def( "__str__", &__str__< ::SireMol::ChainID > ); ChainID_exposer.def( "__repr__", &__str__< ::SireMol::ChainID > ); ChainID_exposer.def( "__hash__", &::SireMol::ChainID::hash ); } }
void register_MolWithResID_class(){ { //::SireMol::MolWithResID typedef bp::class_< SireMol::MolWithResID, bp::bases< SireMol::MolID, SireID::ID > > MolWithResID_exposer_t; MolWithResID_exposer_t MolWithResID_exposer = MolWithResID_exposer_t( "MolWithResID", bp::init< >() ); bp::scope MolWithResID_scope( MolWithResID_exposer ); MolWithResID_exposer.def( bp::init< QString const & >(( bp::arg("resname") )) ); MolWithResID_exposer.def( bp::init< int >(( bp::arg("resnum") )) ); MolWithResID_exposer.def( bp::init< SireMol::ResID const & >(( bp::arg("resid") )) ); MolWithResID_exposer.def( bp::init< QString const &, SireID::CaseSensitivity >(( bp::arg("resname"), bp::arg("case_sensitivity") )) ); MolWithResID_exposer.def( bp::init< SireMol::MolWithResID const & >(( bp::arg("other") )) ); { //::SireMol::MolWithResID::hash typedef ::uint ( ::SireMol::MolWithResID::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireMol::MolWithResID::hash ); MolWithResID_exposer.def( "hash" , hash_function_value ); } { //::SireMol::MolWithResID::isNull typedef bool ( ::SireMol::MolWithResID::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMol::MolWithResID::isNull ); MolWithResID_exposer.def( "isNull" , isNull_function_value ); } { //::SireMol::MolWithResID::map typedef ::QList< SireMol::MolNum > ( ::SireMol::MolWithResID::*map_function_type )( ::SireMol::Molecules const & ) const; map_function_type map_function_value( &::SireMol::MolWithResID::map ); MolWithResID_exposer.def( "map" , map_function_value , ( bp::arg("molecules") ) ); } { //::SireMol::MolWithResID::map typedef ::QList< SireMol::MolNum > ( ::SireMol::MolWithResID::*map_function_type )( ::SireMol::MoleculeGroup const & ) const; map_function_type map_function_value( &::SireMol::MolWithResID::map ); MolWithResID_exposer.def( "map" , map_function_value , ( bp::arg("molgroup") ) ); } { //::SireMol::MolWithResID::map typedef ::QList< SireMol::MolNum > ( ::SireMol::MolWithResID::*map_function_type )( ::SireMol::MolGroupsBase const & ) const; map_function_type map_function_value( &::SireMol::MolWithResID::map ); MolWithResID_exposer.def( "map" , map_function_value , ( bp::arg("molgroups") ) ); } MolWithResID_exposer.def( bp::self != bp::self ); { //::SireMol::MolWithResID::operator= typedef ::SireMol::MolWithResID & ( ::SireMol::MolWithResID::*assign_function_type )( ::SireMol::MolWithResID const & ) ; assign_function_type assign_function_value( &::SireMol::MolWithResID::operator= ); MolWithResID_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } MolWithResID_exposer.def( bp::self == bp::other< SireID::ID >() ); MolWithResID_exposer.def( bp::self == bp::self ); { //::SireMol::MolWithResID::resID typedef ::SireMol::ResID const & ( ::SireMol::MolWithResID::*resID_function_type )( ) const; resID_function_type resID_function_value( &::SireMol::MolWithResID::resID ); MolWithResID_exposer.def( "resID" , resID_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::MolWithResID::toString typedef ::QString ( ::SireMol::MolWithResID::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::MolWithResID::toString ); MolWithResID_exposer.def( "toString" , toString_function_value ); } { //::SireMol::MolWithResID::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::MolWithResID::typeName ); MolWithResID_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::MolWithResID::what typedef char const * ( ::SireMol::MolWithResID::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::MolWithResID::what ); MolWithResID_exposer.def( "what" , what_function_value ); } MolWithResID_exposer.staticmethod( "typeName" ); MolWithResID_exposer.def( "__copy__", &__copy__); MolWithResID_exposer.def( "__deepcopy__", &__copy__); MolWithResID_exposer.def( "clone", &__copy__); MolWithResID_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::MolWithResID >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolWithResID_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::MolWithResID >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolWithResID_exposer.def( "__str__", &__str__< ::SireMol::MolWithResID > ); MolWithResID_exposer.def( "__repr__", &__str__< ::SireMol::MolWithResID > ); } }
void register_Specify_SegID__class(){ { //::SireID::Specify< SireMol::SegID > typedef bp::class_< SireID::Specify< SireMol::SegID >, bp::bases< SireMol::SegID, SireID::ID > > Specify_SegID__exposer_t; Specify_SegID__exposer_t Specify_SegID__exposer = Specify_SegID__exposer_t( "Specify_SegID_", bp::init< >() ); bp::scope Specify_SegID__scope( Specify_SegID__exposer ); Specify_SegID__exposer.def( bp::init< SireMol::SegID const &, qint32 >(( bp::arg("id"), bp::arg("i") )) ); Specify_SegID__exposer.def( bp::init< SireMol::SegID const &, qint32, qint32 >(( bp::arg("id"), bp::arg("i"), bp::arg("j") )) ); Specify_SegID__exposer.def( bp::init< SireID::Specify< SireMol::SegID > const & >(( bp::arg("other") )) ); { //::SireID::Specify< SireMol::SegID >::hash typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::uint ( ::SireID::Specify< SireMol::SegID >::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireID::Specify< SireMol::SegID >::hash ); Specify_SegID__exposer.def( "hash" , hash_function_value ); } { //::SireID::Specify< SireMol::SegID >::isNull typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef bool ( ::SireID::Specify< SireMol::SegID >::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireID::Specify< SireMol::SegID >::isNull ); Specify_SegID__exposer.def( "isNull" , isNull_function_value ); } { //::SireID::Specify< SireMol::SegID >::map typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::QList< SireMol::SegIdx > ( ::SireID::Specify< SireMol::SegID >::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireID::Specify< SireMol::SegID >::map ); Specify_SegID__exposer.def( "map" , map_function_value , ( bp::arg("obj") ) ); } Specify_SegID__exposer.def( bp::self != bp::self ); Specify_SegID__exposer.def( bp::self != bp::other< SireID::ID >() ); { //::SireID::Specify< SireMol::SegID >::operator() typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::SireID::Specify< SireMol::SegID > ( ::SireID::Specify< SireMol::SegID >::*__call___function_type )( int ) const; __call___function_type __call___function_value( &::SireID::Specify< SireMol::SegID >::operator() ); Specify_SegID__exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) ); } { //::SireID::Specify< SireMol::SegID >::operator() typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::SireID::Specify< SireMol::SegID > ( ::SireID::Specify< SireMol::SegID >::*__call___function_type )( int,int ) const; __call___function_type __call___function_value( &::SireID::Specify< SireMol::SegID >::operator() ); Specify_SegID__exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) ); } { //::SireID::Specify< SireMol::SegID >::operator= typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::SireID::Specify< SireMol::SegID > & ( ::SireID::Specify< SireMol::SegID >::*assign_function_type )( ::SireID::Specify< SireMol::SegID > const & ) ; assign_function_type assign_function_value( &::SireID::Specify< SireMol::SegID >::operator= ); Specify_SegID__exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } Specify_SegID__exposer.def( bp::self == bp::self ); Specify_SegID__exposer.def( bp::self == bp::other< SireID::ID >() ); { //::SireID::Specify< SireMol::SegID >::operator[] typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::SireID::Specify< SireMol::SegID > ( ::SireID::Specify< SireMol::SegID >::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireID::Specify< SireMol::SegID >::operator[] ); Specify_SegID__exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) ); } { //::SireID::Specify< SireMol::SegID >::toString typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef ::QString ( ::SireID::Specify< SireMol::SegID >::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireID::Specify< SireMol::SegID >::toString ); Specify_SegID__exposer.def( "toString" , toString_function_value ); } { //::SireID::Specify< SireMol::SegID >::typeName typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireID::Specify< SireMol::SegID >::typeName ); Specify_SegID__exposer.def( "typeName" , typeName_function_value ); } { //::SireID::Specify< SireMol::SegID >::what typedef SireID::Specify< SireMol::SegID > exported_class_t; typedef char const * ( ::SireID::Specify< SireMol::SegID >::*what_function_type )( ) const; what_function_type what_function_value( &::SireID::Specify< SireMol::SegID >::what ); Specify_SegID__exposer.def( "what" , what_function_value ); } Specify_SegID__exposer.staticmethod( "typeName" ); Specify_SegID__exposer.def( "__copy__", &__copy__); Specify_SegID__exposer.def( "__deepcopy__", &__copy__); Specify_SegID__exposer.def( "clone", &__copy__); Specify_SegID__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireID::Specify<SireMol::SegID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Specify_SegID__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireID::Specify<SireMol::SegID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Specify_SegID__exposer.def( "__str__", &__str__< ::SireID::Specify<SireMol::SegID> > ); Specify_SegID__exposer.def( "__repr__", &__str__< ::SireID::Specify<SireMol::SegID> > ); } }
void register_MolResNum_class(){ { //::SireMol::MolResNum typedef bp::class_< SireMol::MolResNum, bp::bases< SireMol::ResID, SireID::ID > > MolResNum_exposer_t; MolResNum_exposer_t MolResNum_exposer = MolResNum_exposer_t( "MolResNum", bp::init< >() ); bp::scope MolResNum_scope( MolResNum_exposer ); MolResNum_exposer.def( bp::init< SireMol::MolNum const &, SireMol::ResNum const & >(( bp::arg("molnum"), bp::arg("resnum") )) ); MolResNum_exposer.def( bp::init< SireMol::ResNum const &, SireMol::MolNum const & >(( bp::arg("resnum"), bp::arg("molnum") )) ); MolResNum_exposer.def( bp::init< SireMol::MolResNum const & >(( bp::arg("other") )) ); { //::SireMol::MolResNum::hash typedef ::uint ( ::SireMol::MolResNum::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireMol::MolResNum::hash ); MolResNum_exposer.def( "hash" , hash_function_value ); } { //::SireMol::MolResNum::isNull typedef bool ( ::SireMol::MolResNum::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMol::MolResNum::isNull ); MolResNum_exposer.def( "isNull" , isNull_function_value ); } { //::SireMol::MolResNum::map typedef ::QList< SireMol::ResIdx > ( ::SireMol::MolResNum::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::MolResNum::map ); MolResNum_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::MolResNum::molNum typedef ::SireMol::MolNum const & ( ::SireMol::MolResNum::*molNum_function_type )( ) const; molNum_function_type molNum_function_value( &::SireMol::MolResNum::molNum ); MolResNum_exposer.def( "molNum" , molNum_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } MolResNum_exposer.def( bp::self != bp::self ); { //::SireMol::MolResNum::operator= typedef ::SireMol::MolResNum & ( ::SireMol::MolResNum::*assign_function_type )( ::SireMol::MolResNum const & ) ; assign_function_type assign_function_value( &::SireMol::MolResNum::operator= ); MolResNum_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } MolResNum_exposer.def( bp::self == bp::other< SireID::ID >() ); MolResNum_exposer.def( bp::self == bp::self ); { //::SireMol::MolResNum::resNum typedef ::SireMol::ResNum const & ( ::SireMol::MolResNum::*resNum_function_type )( ) const; resNum_function_type resNum_function_value( &::SireMol::MolResNum::resNum ); MolResNum_exposer.def( "resNum" , resNum_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::toString typedef ::QString ( ::SireMol::MolResNum::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::MolResNum::toString ); MolResNum_exposer.def( "toString" , toString_function_value ); } { //::SireMol::MolResNum::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::MolResNum::typeName ); MolResNum_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::MolResNum::what typedef char const * ( ::SireMol::MolResNum::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::MolResNum::what ); MolResNum_exposer.def( "what" , what_function_value ); } MolResNum_exposer.staticmethod( "typeName" ); MolResNum_exposer.def( "__copy__", &__copy__); MolResNum_exposer.def( "__deepcopy__", &__copy__); MolResNum_exposer.def( "clone", &__copy__); MolResNum_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::MolResNum >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolResNum_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::MolResNum >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolResNum_exposer.def( "__str__", &__str__< ::SireMol::MolResNum > ); MolResNum_exposer.def( "__repr__", &__str__< ::SireMol::MolResNum > ); } }
void register_IDOrSet_SegID__class(){ { //::SireID::IDOrSet< SireMol::SegID > typedef bp::class_< SireID::IDOrSet< SireMol::SegID >, bp::bases< SireMol::SegID, SireID::ID > > IDOrSet_SegID__exposer_t; IDOrSet_SegID__exposer_t IDOrSet_SegID__exposer = IDOrSet_SegID__exposer_t( "IDOrSet_SegID_", bp::init< >() ); bp::scope IDOrSet_SegID__scope( IDOrSet_SegID__exposer ); IDOrSet_SegID__exposer.def( bp::init< SireMol::SegID const & >(( bp::arg("id") )) ); IDOrSet_SegID__exposer.def( bp::init< SireMol::SegID const &, SireMol::SegID const & >(( bp::arg("id0"), bp::arg("id1") )) ); IDOrSet_SegID__exposer.def( bp::init< QList< SireMol::SegIdentifier > const & >(( bp::arg("ids") )) ); IDOrSet_SegID__exposer.def( bp::init< SireID::IDOrSet< SireMol::SegID > const & >(( bp::arg("other") )) ); { //::SireID::IDOrSet< SireMol::SegID >::IDs typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::QSet< SireMol::SegIdentifier > const & ( ::SireID::IDOrSet< SireMol::SegID >::*IDs_function_type )( ) const; IDs_function_type IDs_function_value( &::SireID::IDOrSet< SireMol::SegID >::IDs ); IDOrSet_SegID__exposer.def( "IDs" , IDs_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireID::IDOrSet< SireMol::SegID >::hash typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::uint ( ::SireID::IDOrSet< SireMol::SegID >::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireID::IDOrSet< SireMol::SegID >::hash ); IDOrSet_SegID__exposer.def( "hash" , hash_function_value ); } { //::SireID::IDOrSet< SireMol::SegID >::isNull typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef bool ( ::SireID::IDOrSet< SireMol::SegID >::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireID::IDOrSet< SireMol::SegID >::isNull ); IDOrSet_SegID__exposer.def( "isNull" , isNull_function_value ); } { //::SireID::IDOrSet< SireMol::SegID >::map typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::QList< SireMol::SegIdx > ( ::SireID::IDOrSet< SireMol::SegID >::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireID::IDOrSet< SireMol::SegID >::map ); IDOrSet_SegID__exposer.def( "map" , map_function_value , ( bp::arg("obj") ) ); } IDOrSet_SegID__exposer.def( bp::self != bp::other< SireID::ID >() ); IDOrSet_SegID__exposer.def( bp::self != bp::self ); IDOrSet_SegID__exposer.def( bp::self != bp::other< SireMol::SegID >() ); { //::SireID::IDOrSet< SireMol::SegID >::operator= typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::SireID::IDOrSet< SireMol::SegID > & ( ::SireID::IDOrSet< SireMol::SegID >::*assign_function_type )( ::SireID::IDOrSet< SireMol::SegID > const & ) ; assign_function_type assign_function_value( &::SireID::IDOrSet< SireMol::SegID >::operator= ); IDOrSet_SegID__exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } { //::SireID::IDOrSet< SireMol::SegID >::operator= typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::SireID::IDOrSet< SireMol::SegID > & ( ::SireID::IDOrSet< SireMol::SegID >::*assign_function_type )( ::SireMol::SegID const & ) ; assign_function_type assign_function_value( &::SireID::IDOrSet< SireMol::SegID >::operator= ); IDOrSet_SegID__exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } IDOrSet_SegID__exposer.def( bp::self == bp::other< SireID::ID >() ); IDOrSet_SegID__exposer.def( bp::self == bp::self ); IDOrSet_SegID__exposer.def( bp::self == bp::other< SireMol::SegID >() ); { //::SireID::IDOrSet< SireMol::SegID >::toString typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef ::QString ( ::SireID::IDOrSet< SireMol::SegID >::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireID::IDOrSet< SireMol::SegID >::toString ); IDOrSet_SegID__exposer.def( "toString" , toString_function_value ); } { //::SireID::IDOrSet< SireMol::SegID >::typeName typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireID::IDOrSet< SireMol::SegID >::typeName ); IDOrSet_SegID__exposer.def( "typeName" , typeName_function_value ); } { //::SireID::IDOrSet< SireMol::SegID >::what typedef SireID::IDOrSet< SireMol::SegID > exported_class_t; typedef char const * ( ::SireID::IDOrSet< SireMol::SegID >::*what_function_type )( ) const; what_function_type what_function_value( &::SireID::IDOrSet< SireMol::SegID >::what ); IDOrSet_SegID__exposer.def( "what" , what_function_value ); } IDOrSet_SegID__exposer.staticmethod( "typeName" ); IDOrSet_SegID__exposer.def( "__copy__", &__copy__); IDOrSet_SegID__exposer.def( "__deepcopy__", &__copy__); IDOrSet_SegID__exposer.def( "clone", &__copy__); IDOrSet_SegID__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireID::IDOrSet<SireMol::SegID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IDOrSet_SegID__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireID::IDOrSet<SireMol::SegID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IDOrSet_SegID__exposer.def( "__str__", &__str__< ::SireID::IDOrSet<SireMol::SegID> > ); IDOrSet_SegID__exposer.def( "__repr__", &__str__< ::SireID::IDOrSet<SireMol::SegID> > ); } }
void register_FFIdx_class(){ { //::SireFF::FFIdx typedef bp::class_< SireFF::FFIdx, bp::bases< SireFF::FFID, SireID::ID, SireID::IndexBase > > FFIdx_exposer_t; FFIdx_exposer_t FFIdx_exposer = FFIdx_exposer_t( "FFIdx", "This is an ID object that is used to index forcefields (e.g. index\nin a list or array).\n\nAuthor: Christopher Woods\n", bp::init< >("") ); bp::scope FFIdx_scope( FFIdx_exposer ); FFIdx_exposer.def( bp::init< qint32 >(( bp::arg("idx") ), "") ); FFIdx_exposer.def( bp::init< SireFF::FFIdx const & >(( bp::arg("other") ), "") ); { //::SireFF::FFIdx::hash typedef ::uint ( ::SireFF::FFIdx::*hash_function_type)( ) const; hash_function_type hash_function_value( &::SireFF::FFIdx::hash ); FFIdx_exposer.def( "hash" , hash_function_value , "" ); } { //::SireFF::FFIdx::isNull typedef bool ( ::SireFF::FFIdx::*isNull_function_type)( ) const; isNull_function_type isNull_function_value( &::SireFF::FFIdx::isNull ); FFIdx_exposer.def( "isNull" , isNull_function_value , "" ); } { //::SireFF::FFIdx::map typedef ::QList< SireFF::FFIdx > ( ::SireFF::FFIdx::*map_function_type)( ::SireFF::ForceFields const & ) const; map_function_type map_function_value( &::SireFF::FFIdx::map ); FFIdx_exposer.def( "map" , map_function_value , ( bp::arg("ffields") ) , "Short cut function to map this index to the index of the\nmatching forcefield in the passed ForceFields object\nThrow: SireError::invalid_index\n" ); } { //::SireFF::FFIdx::null typedef ::SireFF::FFIdx ( *null_function_type )( ); null_function_type null_function_value( &::SireFF::FFIdx::null ); FFIdx_exposer.def( "null" , null_function_value , "" ); } { //::SireFF::FFIdx::operator= typedef ::SireFF::FFIdx & ( ::SireFF::FFIdx::*assign_function_type)( ::SireFF::FFIdx const & ) ; assign_function_type assign_function_value( &::SireFF::FFIdx::operator= ); FFIdx_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } { //::SireFF::FFIdx::toString typedef ::QString ( ::SireFF::FFIdx::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireFF::FFIdx::toString ); FFIdx_exposer.def( "toString" , toString_function_value , "" ); } { //::SireFF::FFIdx::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::FFIdx::typeName ); FFIdx_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireFF::FFIdx::what typedef char const * ( ::SireFF::FFIdx::*what_function_type)( ) const; what_function_type what_function_value( &::SireFF::FFIdx::what ); FFIdx_exposer.def( "what" , what_function_value , "" ); } FFIdx_exposer.staticmethod( "null" ); FFIdx_exposer.staticmethod( "typeName" ); FFIdx_exposer.def( "__copy__", &__copy__); FFIdx_exposer.def( "__deepcopy__", &__copy__); FFIdx_exposer.def( "clone", &__copy__); FFIdx_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::FFIdx >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FFIdx_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::FFIdx >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FFIdx_exposer.def( "__str__", &__str__< ::SireFF::FFIdx > ); FFIdx_exposer.def( "__repr__", &__str__< ::SireFF::FFIdx > ); FFIdx_exposer.def( "__hash__", &::SireFF::FFIdx::hash ); } }
void register_ChainAtomID_class(){ { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > typedef bp::class_< SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >, bp::bases< SireMol::GroupAtomIDBase, SireMol::AtomID, SireID::ID > > ChainAtomID_exposer_t; ChainAtomID_exposer_t ChainAtomID_exposer = ChainAtomID_exposer_t( "ChainAtomID", "", bp::init< >("") ); bp::scope ChainAtomID_scope( ChainAtomID_exposer ); ChainAtomID_exposer.def( bp::init< SireMol::ChainID const &, SireMol::AtomID const & >(( bp::arg("group"), bp::arg("atom") ), "") ); ChainAtomID_exposer.def( bp::init< SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > const & >(( bp::arg("other") ), "") ); { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::hash typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef ::uint ( ::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::*hash_function_type)( ) const; hash_function_type hash_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::hash ); ChainAtomID_exposer.def( "hash" , hash_function_value , "" ); } { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::isNull typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef bool ( ::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::*isNull_function_type)( ) const; isNull_function_type isNull_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::isNull ); ChainAtomID_exposer.def( "isNull" , isNull_function_value , "" ); } { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::map typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef ::QList< SireMol::AtomIdx > ( ::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::*map_function_type)( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::map ); ChainAtomID_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) , "" ); } ChainAtomID_exposer.def( bp::self != bp::self ); ChainAtomID_exposer.def( bp::self == bp::self ); ChainAtomID_exposer.def( bp::self == bp::other< SireID::ID >() ); { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::toString typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef ::QString ( ::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::toString ); ChainAtomID_exposer.def( "toString" , toString_function_value , "" ); } { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::typeName typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::typeName ); ChainAtomID_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::what typedef SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID > exported_class_t; typedef char const * ( ::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::*what_function_type)( ) const; what_function_type what_function_value( &::SireMol::GroupAtomID< SireMol::ChainID, SireMol::AtomID >::what ); ChainAtomID_exposer.def( "what" , what_function_value , "" ); } ChainAtomID_exposer.staticmethod( "typeName" ); ChainAtomID_exposer.def( "__copy__", &__copy__); ChainAtomID_exposer.def( "__deepcopy__", &__copy__); ChainAtomID_exposer.def( "clone", &__copy__); ChainAtomID_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::GroupAtomID<SireMol::ChainID, SireMol::AtomID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainAtomID_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::GroupAtomID<SireMol::ChainID, SireMol::AtomID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainAtomID_exposer.def( "__str__", &__str__< ::SireMol::GroupAtomID<SireMol::ChainID, SireMol::AtomID> > ); ChainAtomID_exposer.def( "__repr__", &__str__< ::SireMol::GroupAtomID<SireMol::ChainID, SireMol::AtomID> > ); ChainAtomID_exposer.def( "__hash__", &::SireMol::GroupAtomID<SireMol::ChainID, SireMol::AtomID>::hash ); } }
void register_Within_class(){ { //::SireMol::Within typedef bp::class_< SireMol::Within, bp::bases< SireMol::AtomID, SireID::ID > > Within_exposer_t; Within_exposer_t Within_exposer = Within_exposer_t( "Within", bp::init< >() ); bp::scope Within_scope( Within_exposer ); Within_exposer.def( bp::init< SireUnits::Dimension::Length, SireMaths::Vector const & >(( bp::arg("distance"), bp::arg("point") )) ); Within_exposer.def( bp::init< SireUnits::Dimension::Length, SireMol::AtomID const & >(( bp::arg("distance"), bp::arg("atomid") )) ); Within_exposer.def( bp::init< SireMol::Within const & >(( bp::arg("other") )) ); { //::SireMol::Within::hash typedef ::uint ( ::SireMol::Within::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireMol::Within::hash ); Within_exposer.def( "hash" , hash_function_value ); } { //::SireMol::Within::isNull typedef bool ( ::SireMol::Within::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMol::Within::isNull ); Within_exposer.def( "isNull" , isNull_function_value ); } { //::SireMol::Within::map typedef ::QList< SireMol::AtomIdx > ( ::SireMol::Within::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::Within::map ); Within_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::Within::map typedef ::QList< SireMol::AtomIdx > ( ::SireMol::Within::*map_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; map_function_type map_function_value( &::SireMol::Within::map ); Within_exposer.def( "map" , map_function_value , ( bp::arg("molview"), bp::arg("map") ) ); } Within_exposer.def( bp::self != bp::self ); { //::SireMol::Within::operator= typedef ::SireMol::Within & ( ::SireMol::Within::*assign_function_type )( ::SireMol::Within const & ) ; assign_function_type assign_function_value( &::SireMol::Within::operator= ); Within_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } Within_exposer.def( bp::self == bp::other< SireID::ID >() ); Within_exposer.def( bp::self == bp::self ); { //::SireMol::Within::toString typedef ::QString ( ::SireMol::Within::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::Within::toString ); Within_exposer.def( "toString" , toString_function_value ); } { //::SireMol::Within::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::Within::typeName ); Within_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::Within::what typedef char const * ( ::SireMol::Within::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::Within::what ); Within_exposer.def( "what" , what_function_value ); } Within_exposer.staticmethod( "typeName" ); Within_exposer.def( "__copy__", &__copy__); Within_exposer.def( "__deepcopy__", &__copy__); Within_exposer.def( "clone", &__copy__); Within_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::Within >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Within_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::Within >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Within_exposer.def( "__str__", &__str__< ::SireMol::Within > ); Within_exposer.def( "__repr__", &__str__< ::SireMol::Within > ); } }
void register_SpecifyMol_class(){ { //::SireMol::SpecifyMol typedef bp::class_< SireMol::SpecifyMol, bp::bases< SireMol::MolID, SireID::ID > > SpecifyMol_exposer_t; SpecifyMol_exposer_t SpecifyMol_exposer = SpecifyMol_exposer_t( "SpecifyMol", "This class allow for the specification of specific\nmatching molecules\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") ); bp::scope SpecifyMol_scope( SpecifyMol_exposer ); SpecifyMol_exposer.def( bp::init< SireMol::MolID const & >(( bp::arg("molid") ), "Construct to match all of the molecules that match the\nID molid") ); SpecifyMol_exposer.def( bp::init< SireMol::MolID const &, int >(( bp::arg("molid"), bp::arg("i") ), "Construct to match the ith molecule that matches the ID molid") ); SpecifyMol_exposer.def( bp::init< SireMol::MolID const &, int, int >(( bp::arg("molid"), bp::arg("i"), bp::arg("j") ), "Construct to math the range of molecules from i to j that\nmatch the ID molid") ); SpecifyMol_exposer.def( bp::init< SireMol::SpecifyMol const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMol::SpecifyMol::hash typedef ::uint ( ::SireMol::SpecifyMol::*hash_function_type)( ) const; hash_function_type hash_function_value( &::SireMol::SpecifyMol::hash ); SpecifyMol_exposer.def( "hash" , hash_function_value , "Hash this ID" ); } { //::SireMol::SpecifyMol::isNull typedef bool ( ::SireMol::SpecifyMol::*isNull_function_type)( ) const; isNull_function_type isNull_function_value( &::SireMol::SpecifyMol::isNull ); SpecifyMol_exposer.def( "isNull" , isNull_function_value , "Return whether or not this ID is null" ); } { //::SireMol::SpecifyMol::map typedef ::QList< SireMol::MolNum > ( ::SireMol::SpecifyMol::*map_function_type)( ::SireMol::Molecules const & ) const; map_function_type map_function_value( &::SireMol::SpecifyMol::map ); SpecifyMol_exposer.def( "map" , map_function_value , ( bp::arg("molecules") ) , "Map this ID to the list of molecule numbers that match" ); } { //::SireMol::SpecifyMol::map typedef ::QList< SireMol::MolNum > ( ::SireMol::SpecifyMol::*map_function_type)( ::SireMol::MoleculeGroup const & ) const; map_function_type map_function_value( &::SireMol::SpecifyMol::map ); SpecifyMol_exposer.def( "map" , map_function_value , ( bp::arg("molgroup") ) , "Map this ID to the list of molecule numbers that match" ); } { //::SireMol::SpecifyMol::map typedef ::QList< SireMol::MolNum > ( ::SireMol::SpecifyMol::*map_function_type)( ::SireMol::MolGroupsBase const & ) const; map_function_type map_function_value( &::SireMol::SpecifyMol::map ); SpecifyMol_exposer.def( "map" , map_function_value , ( bp::arg("molgroups") ) , "Map this ID to the list of molecule numbers that match" ); } SpecifyMol_exposer.def( bp::self != bp::self ); SpecifyMol_exposer.def( bp::self != bp::other< SireID::ID >() ); { //::SireMol::SpecifyMol::operator= typedef ::SireMol::SpecifyMol & ( ::SireMol::SpecifyMol::*assign_function_type)( ::SireMol::SpecifyMol const & ) ; assign_function_type assign_function_value( &::SireMol::SpecifyMol::operator= ); SpecifyMol_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } SpecifyMol_exposer.def( bp::self == bp::self ); SpecifyMol_exposer.def( bp::self == bp::other< SireID::ID >() ); { //::SireMol::SpecifyMol::toString typedef ::QString ( ::SireMol::SpecifyMol::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMol::SpecifyMol::toString ); SpecifyMol_exposer.def( "toString" , toString_function_value , "Return a string representation of this ID" ); } { //::SireMol::SpecifyMol::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::SpecifyMol::typeName ); SpecifyMol_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMol::SpecifyMol::what typedef char const * ( ::SireMol::SpecifyMol::*what_function_type)( ) const; what_function_type what_function_value( &::SireMol::SpecifyMol::what ); SpecifyMol_exposer.def( "what" , what_function_value , "" ); } SpecifyMol_exposer.staticmethod( "typeName" ); SpecifyMol_exposer.def( "__copy__", &__copy__); SpecifyMol_exposer.def( "__deepcopy__", &__copy__); SpecifyMol_exposer.def( "clone", &__copy__); SpecifyMol_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::SpecifyMol >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SpecifyMol_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::SpecifyMol >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SpecifyMol_exposer.def( "__str__", &__str__< ::SireMol::SpecifyMol > ); SpecifyMol_exposer.def( "__repr__", &__str__< ::SireMol::SpecifyMol > ); SpecifyMol_exposer.def( "__hash__", &::SireMol::SpecifyMol::hash ); } }
void register_CGsWithAtoms_class(){ { //::SireMol::CGsWithAtoms typedef bp::class_< SireMol::CGsWithAtoms, bp::bases< SireMol::CGID, SireID::ID > > CGsWithAtoms_exposer_t; CGsWithAtoms_exposer_t CGsWithAtoms_exposer = CGsWithAtoms_exposer_t( "CGsWithAtoms", bp::init< >() ); bp::scope CGsWithAtoms_scope( CGsWithAtoms_exposer ); CGsWithAtoms_exposer.def( bp::init< SireMol::AtomID const & >(( bp::arg("atomid") )) ); CGsWithAtoms_exposer.def( bp::init< SireMol::CGsWithAtoms const & >(( bp::arg("other") )) ); { //::SireMol::CGsWithAtoms::atomID typedef ::SireMol::AtomID const & ( ::SireMol::CGsWithAtoms::*atomID_function_type )( ) const; atomID_function_type atomID_function_value( &::SireMol::CGsWithAtoms::atomID ); CGsWithAtoms_exposer.def( "atomID" , atomID_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::CGsWithAtoms::hash typedef ::uint ( ::SireMol::CGsWithAtoms::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireMol::CGsWithAtoms::hash ); CGsWithAtoms_exposer.def( "hash" , hash_function_value ); } { //::SireMol::CGsWithAtoms::isNull typedef bool ( ::SireMol::CGsWithAtoms::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMol::CGsWithAtoms::isNull ); CGsWithAtoms_exposer.def( "isNull" , isNull_function_value ); } { //::SireMol::CGsWithAtoms::map typedef ::QList< SireMol::CGIdx > ( ::SireMol::CGsWithAtoms::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::CGsWithAtoms::map ); CGsWithAtoms_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) ); } CGsWithAtoms_exposer.def( bp::self != bp::self ); { //::SireMol::CGsWithAtoms::operator= typedef ::SireMol::CGsWithAtoms & ( ::SireMol::CGsWithAtoms::*assign_function_type )( ::SireMol::CGsWithAtoms const & ) ; assign_function_type assign_function_value( &::SireMol::CGsWithAtoms::operator= ); CGsWithAtoms_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CGsWithAtoms_exposer.def( bp::self == bp::other< SireID::ID >() ); CGsWithAtoms_exposer.def( bp::self == bp::self ); { //::SireMol::CGsWithAtoms::toString typedef ::QString ( ::SireMol::CGsWithAtoms::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::CGsWithAtoms::toString ); CGsWithAtoms_exposer.def( "toString" , toString_function_value ); } { //::SireMol::CGsWithAtoms::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::CGsWithAtoms::typeName ); CGsWithAtoms_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::CGsWithAtoms::what typedef char const * ( ::SireMol::CGsWithAtoms::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::CGsWithAtoms::what ); CGsWithAtoms_exposer.def( "what" , what_function_value ); } CGsWithAtoms_exposer.staticmethod( "typeName" ); CGsWithAtoms_exposer.def( "__copy__", &__copy__); CGsWithAtoms_exposer.def( "__deepcopy__", &__copy__); CGsWithAtoms_exposer.def( "clone", &__copy__); CGsWithAtoms_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::CGsWithAtoms >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CGsWithAtoms_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::CGsWithAtoms >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CGsWithAtoms_exposer.def( "__str__", &__str__< ::SireMol::CGsWithAtoms > ); CGsWithAtoms_exposer.def( "__repr__", &__str__< ::SireMol::CGsWithAtoms > ); } }
void register_ChainIdx_class(){ { //::SireMol::ChainIdx typedef bp::class_< SireMol::ChainIdx, bp::bases< SireMol::ChainID, SireID::ID, SireID::IndexBase > > ChainIdx_exposer_t; ChainIdx_exposer_t ChainIdx_exposer = ChainIdx_exposer_t( "ChainIdx", bp::init< >() ); bp::scope ChainIdx_scope( ChainIdx_exposer ); ChainIdx_exposer.def( bp::init< qint32 >(( bp::arg("idx") )) ); ChainIdx_exposer.def( bp::init< SireMol::ChainIdx const & >(( bp::arg("other") )) ); { //::SireMol::ChainIdx::hash typedef ::uint ( ::SireMol::ChainIdx::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireMol::ChainIdx::hash ); ChainIdx_exposer.def( "hash" , hash_function_value ); } { //::SireMol::ChainIdx::isNull typedef bool ( ::SireMol::ChainIdx::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMol::ChainIdx::isNull ); ChainIdx_exposer.def( "isNull" , isNull_function_value ); } { //::SireMol::ChainIdx::map typedef ::QList< SireMol::ChainIdx > ( ::SireMol::ChainIdx::*map_function_type )( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::ChainIdx::map ); ChainIdx_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) ); } { //::SireMol::ChainIdx::null typedef ::SireMol::ChainIdx ( *null_function_type )( ); null_function_type null_function_value( &::SireMol::ChainIdx::null ); ChainIdx_exposer.def( "null" , null_function_value ); } { //::SireMol::ChainIdx::operator= typedef ::SireMol::ChainIdx & ( ::SireMol::ChainIdx::*assign_function_type )( ::SireMol::ChainIdx const & ) ; assign_function_type assign_function_value( &::SireMol::ChainIdx::operator= ); ChainIdx_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } { //::SireMol::ChainIdx::toString typedef ::QString ( ::SireMol::ChainIdx::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::ChainIdx::toString ); ChainIdx_exposer.def( "toString" , toString_function_value ); } { //::SireMol::ChainIdx::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::ChainIdx::typeName ); ChainIdx_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::ChainIdx::what typedef char const * ( ::SireMol::ChainIdx::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::ChainIdx::what ); ChainIdx_exposer.def( "what" , what_function_value ); } ChainIdx_exposer.staticmethod( "null" ); ChainIdx_exposer.staticmethod( "typeName" ); ChainIdx_exposer.def( "__copy__", &__copy__); ChainIdx_exposer.def( "__deepcopy__", &__copy__); ChainIdx_exposer.def( "clone", &__copy__); ChainIdx_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::ChainIdx >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainIdx_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::ChainIdx >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainIdx_exposer.def( "__str__", &__str__< ::SireMol::ChainIdx > ); ChainIdx_exposer.def( "__repr__", &__str__< ::SireMol::ChainIdx > ); } }
void register_MonitorName_class(){ { //::SireSystem::MonitorName typedef bp::class_< SireSystem::MonitorName, bp::bases< SireSystem::MonitorID, SireID::ID, SireID::Name > > MonitorName_exposer_t; MonitorName_exposer_t MonitorName_exposer = MonitorName_exposer_t( "MonitorName", "This class holds the name of a simulation system\n\nAuthor: Christopher Woods\n", bp::init< >("") ); bp::scope MonitorName_scope( MonitorName_exposer ); MonitorName_exposer.def( bp::init< QString const & >(( bp::arg("name") ), "") ); MonitorName_exposer.def( bp::init< SireSystem::MonitorName const & >(( bp::arg("other") ), "") ); { //::SireSystem::MonitorName::hash typedef ::uint ( ::SireSystem::MonitorName::*hash_function_type)( ) const; hash_function_type hash_function_value( &::SireSystem::MonitorName::hash ); MonitorName_exposer.def( "hash" , hash_function_value , "" ); } { //::SireSystem::MonitorName::isNull typedef bool ( ::SireSystem::MonitorName::*isNull_function_type)( ) const; isNull_function_type isNull_function_value( &::SireSystem::MonitorName::isNull ); MonitorName_exposer.def( "isNull" , isNull_function_value , "" ); } { //::SireSystem::MonitorName::map typedef ::QList< SireSystem::MonitorName > ( ::SireSystem::MonitorName::*map_function_type)( ::SireSystem::SystemMonitors const & ) const; map_function_type map_function_value( &::SireSystem::MonitorName::map ); MonitorName_exposer.def( "map" , map_function_value , ( bp::arg("monitors") ) , "" ); } MonitorName_exposer.def( bp::self != bp::self ); { //::SireSystem::MonitorName::operator= typedef ::SireSystem::MonitorName & ( ::SireSystem::MonitorName::*assign_function_type)( ::SireSystem::MonitorName const & ) ; assign_function_type assign_function_value( &::SireSystem::MonitorName::operator= ); MonitorName_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } MonitorName_exposer.def( bp::self == bp::other< SireID::ID >() ); MonitorName_exposer.def( bp::self == bp::self ); { //::SireSystem::MonitorName::toString typedef ::QString ( ::SireSystem::MonitorName::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireSystem::MonitorName::toString ); MonitorName_exposer.def( "toString" , toString_function_value , "" ); } { //::SireSystem::MonitorName::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::MonitorName::typeName ); MonitorName_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireSystem::MonitorName::what typedef char const * ( ::SireSystem::MonitorName::*what_function_type)( ) const; what_function_type what_function_value( &::SireSystem::MonitorName::what ); MonitorName_exposer.def( "what" , what_function_value , "" ); } MonitorName_exposer.staticmethod( "typeName" ); MonitorName_exposer.def( "__copy__", &__copy__); MonitorName_exposer.def( "__deepcopy__", &__copy__); MonitorName_exposer.def( "clone", &__copy__); MonitorName_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::MonitorName >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MonitorName_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::MonitorName >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MonitorName_exposer.def( "__str__", &__str__< ::SireSystem::MonitorName > ); MonitorName_exposer.def( "__repr__", &__str__< ::SireSystem::MonitorName > ); MonitorName_exposer.def( "__hash__", &::SireSystem::MonitorName::hash ); } }
void register_ChainsWithRes_class(){ { //::SireMol::ChainsWithRes typedef bp::class_< SireMol::ChainsWithRes, bp::bases< SireMol::ChainID, SireID::ID > > ChainsWithRes_exposer_t; ChainsWithRes_exposer_t ChainsWithRes_exposer = ChainsWithRes_exposer_t( "ChainsWithRes", "This ID class identifies chains that contain residues that\nmatch the passed ResID\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") ); bp::scope ChainsWithRes_scope( ChainsWithRes_exposer ); ChainsWithRes_exposer.def( bp::init< SireMol::ResID const & >(( bp::arg("resid") ), "Construct from the passed residue ID") ); ChainsWithRes_exposer.def( bp::init< SireMol::ChainsWithRes const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMol::ChainsWithRes::hash typedef ::uint ( ::SireMol::ChainsWithRes::*hash_function_type)( ) const; hash_function_type hash_function_value( &::SireMol::ChainsWithRes::hash ); ChainsWithRes_exposer.def( "hash" , hash_function_value , "Return a hash of this identifier" ); } { //::SireMol::ChainsWithRes::isNull typedef bool ( ::SireMol::ChainsWithRes::*isNull_function_type)( ) const; isNull_function_type isNull_function_value( &::SireMol::ChainsWithRes::isNull ); ChainsWithRes_exposer.def( "isNull" , isNull_function_value , "Is this selection null?" ); } { //::SireMol::ChainsWithRes::map typedef ::QList< SireMol::ChainIdx > ( ::SireMol::ChainsWithRes::*map_function_type)( ::SireMol::MolInfo const & ) const; map_function_type map_function_value( &::SireMol::ChainsWithRes::map ); ChainsWithRes_exposer.def( "map" , map_function_value , ( bp::arg("molinfo") ) , "Map this ID to the list of indicies of chains that match this ID\nThrow: SireMol::missing_chain\nThrow: SireError::invalid_index\n" ); } ChainsWithRes_exposer.def( bp::self != bp::self ); { //::SireMol::ChainsWithRes::operator= typedef ::SireMol::ChainsWithRes & ( ::SireMol::ChainsWithRes::*assign_function_type)( ::SireMol::ChainsWithRes const & ) ; assign_function_type assign_function_value( &::SireMol::ChainsWithRes::operator= ); ChainsWithRes_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } ChainsWithRes_exposer.def( bp::self == bp::other< SireID::ID >() ); ChainsWithRes_exposer.def( bp::self == bp::self ); { //::SireMol::ChainsWithRes::resID typedef ::SireMol::ResID const & ( ::SireMol::ChainsWithRes::*resID_function_type)( ) const; resID_function_type resID_function_value( &::SireMol::ChainsWithRes::resID ); ChainsWithRes_exposer.def( "resID" , resID_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the residue ID" ); } { //::SireMol::ChainsWithRes::toString typedef ::QString ( ::SireMol::ChainsWithRes::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMol::ChainsWithRes::toString ); ChainsWithRes_exposer.def( "toString" , toString_function_value , "Return a string representatio of this ID" ); } { //::SireMol::ChainsWithRes::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::ChainsWithRes::typeName ); ChainsWithRes_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMol::ChainsWithRes::what typedef char const * ( ::SireMol::ChainsWithRes::*what_function_type)( ) const; what_function_type what_function_value( &::SireMol::ChainsWithRes::what ); ChainsWithRes_exposer.def( "what" , what_function_value , "" ); } ChainsWithRes_exposer.staticmethod( "typeName" ); ChainsWithRes_exposer.def( "__copy__", &__copy__); ChainsWithRes_exposer.def( "__deepcopy__", &__copy__); ChainsWithRes_exposer.def( "clone", &__copy__); ChainsWithRes_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::ChainsWithRes >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainsWithRes_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::ChainsWithRes >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChainsWithRes_exposer.def( "__str__", &__str__< ::SireMol::ChainsWithRes > ); ChainsWithRes_exposer.def( "__repr__", &__str__< ::SireMol::ChainsWithRes > ); ChainsWithRes_exposer.def( "__hash__", &::SireMol::ChainsWithRes::hash ); } }
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_MonitorID_class(){ { //::SireSystem::MonitorID typedef bp::class_< SireSystem::MonitorID, bp::bases< SireID::ID >, boost::noncopyable > MonitorID_exposer_t; MonitorID_exposer_t MonitorID_exposer = MonitorID_exposer_t( "MonitorID", bp::no_init ); bp::scope MonitorID_scope( MonitorID_exposer ); { //::SireSystem::MonitorID::map typedef ::QList< SireSystem::MonitorName > ( ::SireSystem::MonitorID::*map_function_type )( ::SireSystem::SystemMonitors const & ) const; map_function_type map_function_value( &::SireSystem::MonitorID::map ); MonitorID_exposer.def( "map" , map_function_value , ( bp::arg("monitors") ) ); } MonitorID_exposer.def( bp::self & bp::self ); { //::SireSystem::MonitorID::operator() typedef ::SireID::Specify< SireSystem::MonitorID > ( ::SireSystem::MonitorID::*__call___function_type )( int ) const; __call___function_type __call___function_value( &::SireSystem::MonitorID::operator() ); MonitorID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) ); } { //::SireSystem::MonitorID::operator() typedef ::SireID::Specify< SireSystem::MonitorID > ( ::SireSystem::MonitorID::*__call___function_type )( int,int ) const; __call___function_type __call___function_value( &::SireSystem::MonitorID::operator() ); MonitorID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) ); } MonitorID_exposer.def( bp::self * bp::self ); MonitorID_exposer.def( bp::self + bp::self ); { //::SireSystem::MonitorID::operator[] typedef ::SireID::Specify< SireSystem::MonitorID > ( ::SireSystem::MonitorID::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireSystem::MonitorID::operator[] ); MonitorID_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) ); } MonitorID_exposer.def( bp::self | bp::self ); { //::SireSystem::MonitorID::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::MonitorID::typeName ); MonitorID_exposer.def( "typeName" , typeName_function_value ); } MonitorID_exposer.staticmethod( "typeName" ); MonitorID_exposer.def( "__str__", &__str__< ::SireSystem::MonitorID > ); MonitorID_exposer.def( "__repr__", &__str__< ::SireSystem::MonitorID > ); } }
void register_SysID_class(){ { //::SireSystem::SysID typedef bp::class_< SireSystem::SysID, bp::bases< SireID::ID >, boost::noncopyable > SysID_exposer_t; SysID_exposer_t SysID_exposer = SysID_exposer_t( "SysID", "The base class of all system identifiers\n\nAuthor: Christopher Woods\n", bp::no_init ); bp::scope SysID_scope( SysID_exposer ); { //::SireSystem::SysID::map typedef ::QList< SireSystem::SysIdx > ( ::SireSystem::SysID::*map_function_type)( ::SireSystem::Systems const & ) const; map_function_type map_function_value( &::SireSystem::SysID::map ); SysID_exposer.def( "map" , map_function_value , ( bp::arg("systems") ) , "" ); } SysID_exposer.def( bp::self & bp::self ); { //::SireSystem::SysID::operator() typedef ::SireID::Specify< SireSystem::SysID > ( ::SireSystem::SysID::*__call___function_type)( int ) const; __call___function_type __call___function_value( &::SireSystem::SysID::operator() ); SysID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) , "" ); } { //::SireSystem::SysID::operator() typedef ::SireID::Specify< SireSystem::SysID > ( ::SireSystem::SysID::*__call___function_type)( int,int ) const; __call___function_type __call___function_value( &::SireSystem::SysID::operator() ); SysID_exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) , "" ); } SysID_exposer.def( bp::self * bp::self ); SysID_exposer.def( bp::self + bp::self ); { //::SireSystem::SysID::operator[] typedef ::SireID::Specify< SireSystem::SysID > ( ::SireSystem::SysID::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireSystem::SysID::operator[] ); SysID_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , "" ); } SysID_exposer.def( bp::self | bp::self ); { //::SireSystem::SysID::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::SysID::typeName ); SysID_exposer.def( "typeName" , typeName_function_value , "" ); } SysID_exposer.staticmethod( "typeName" ); SysID_exposer.def( "__str__", &__str__< ::SireSystem::SysID > ); SysID_exposer.def( "__repr__", &__str__< ::SireSystem::SysID > ); SysID_exposer.def( "__hash__", &::SireSystem::SysID::hash ); } }