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_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); } }