void register_AngleSymbols_class(){ { //::SireMM::AngleSymbols typedef bp::class_< SireMM::AngleSymbols, bp::bases< SireMM::InternalSymbolsBase > > AngleSymbols_exposer_t; AngleSymbols_exposer_t AngleSymbols_exposer = AngleSymbols_exposer_t( "AngleSymbols", "This class holds the symbols required for the angle parameters.\nThese are functions of the angle 0-1-2 (theta) of three\natoms (where atom 1 is the central atom of the angle)", bp::init< >("") ); bp::scope AngleSymbols_scope( AngleSymbols_exposer ); { //::SireMM::AngleSymbols::theta typedef ::SireCAS::Symbol const & ( ::SireMM::AngleSymbols::*theta_function_type)( ) const; theta_function_type theta_function_value( &::SireMM::AngleSymbols::theta ); AngleSymbols_exposer.def( "theta" , theta_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbols representing the angle (theta)" ); } AngleSymbols_exposer.def( "__copy__", &__copy__); AngleSymbols_exposer.def( "__deepcopy__", &__copy__); AngleSymbols_exposer.def( "clone", &__copy__); AngleSymbols_exposer.def( "__str__", &pvt_get_name); AngleSymbols_exposer.def( "__repr__", &pvt_get_name); } }
void register_ImproperSymbols_class(){ { //::SireMM::ImproperSymbols typedef bp::class_< SireMM::ImproperSymbols, bp::bases< SireMM::InternalSymbolsBase > > ImproperSymbols_exposer_t; ImproperSymbols_exposer_t ImproperSymbols_exposer = ImproperSymbols_exposer_t( "ImproperSymbols", bp::init< >() ); bp::scope ImproperSymbols_scope( ImproperSymbols_exposer ); { //::SireMM::ImproperSymbols::phi typedef ::SireCAS::Symbol const & ( ::SireMM::ImproperSymbols::*phi_function_type )( ) const; phi_function_type phi_function_value( &::SireMM::ImproperSymbols::phi ); ImproperSymbols_exposer.def( "phi" , phi_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMM::ImproperSymbols::theta typedef ::SireCAS::Symbol const & ( ::SireMM::ImproperSymbols::*theta_function_type )( ) const; theta_function_type theta_function_value( &::SireMM::ImproperSymbols::theta ); ImproperSymbols_exposer.def( "theta" , theta_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } ImproperSymbols_exposer.def( "__copy__", &__copy__); ImproperSymbols_exposer.def( "__deepcopy__", &__copy__); ImproperSymbols_exposer.def( "clone", &__copy__); ImproperSymbols_exposer.def( "__str__", &pvt_get_name); ImproperSymbols_exposer.def( "__repr__", &pvt_get_name); } }
void register_AngleComponent_class(){ { //::SireSystem::AngleComponent typedef bp::class_< SireSystem::AngleComponent, bp::bases< SireSystem::GeometryComponent, SireSystem::Constraint, SireBase::Property > > AngleComponent_exposer_t; AngleComponent_exposer_t AngleComponent_exposer = AngleComponent_exposer_t( "AngleComponent", "This is a constraint that constrains a symbol to equal the\nvalue of an expression that involves an angle between three points\nor atoms\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") ); bp::scope AngleComponent_scope( AngleComponent_exposer ); AngleComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to set the value of constrained_symbol equal to the\nangle between the three points point0, point1 and point2") ); AngleComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("geometry_expression"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to set the value of constrained_symbol equal to the\nexpression based on the angles within the three points\npoint0, point1 and point2") ); AngleComponent_exposer.def( bp::init< SireSystem::AngleComponent const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireSystem::AngleComponent::nPoints typedef int ( ::SireSystem::AngleComponent::*nPoints_function_type)( ) const; nPoints_function_type nPoints_function_value( &::SireSystem::AngleComponent::nPoints ); AngleComponent_exposer.def( "nPoints" , nPoints_function_value , "Return the number of points (3)" ); } AngleComponent_exposer.def( bp::self != bp::self ); { //::SireSystem::AngleComponent::operator= typedef ::SireSystem::AngleComponent & ( ::SireSystem::AngleComponent::*assign_function_type)( ::SireSystem::AngleComponent const & ) ; assign_function_type assign_function_value( &::SireSystem::AngleComponent::operator= ); AngleComponent_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } AngleComponent_exposer.def( bp::self == bp::self ); { //::SireSystem::AngleComponent::point typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point_function_type)( int ) const; point_function_type point_function_value( &::SireSystem::AngleComponent::point ); AngleComponent_exposer.def( "point" , point_function_value , ( bp::arg("i") ) , bp::return_value_policy<bp::clone_const_reference>() , "Return the ith point\nThrow: SireError::invalid_index\n" ); } { //::SireSystem::AngleComponent::point0 typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point0_function_type)( ) const; point0_function_type point0_function_value( &::SireSystem::AngleComponent::point0 ); AngleComponent_exposer.def( "point0" , point0_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the first point between which the angle is calculated" ); } { //::SireSystem::AngleComponent::point1 typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point1_function_type)( ) const; point1_function_type point1_function_value( &::SireSystem::AngleComponent::point1 ); AngleComponent_exposer.def( "point1" , point1_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the second point between which the angle is calculated" ); } { //::SireSystem::AngleComponent::point2 typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point2_function_type)( ) const; point2_function_type point2_function_value( &::SireSystem::AngleComponent::point2 ); AngleComponent_exposer.def( "point2" , point2_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the third point between which the angle is calculated" ); } { //::SireSystem::AngleComponent::r01 typedef ::SireCAS::Symbol const & ( *r01_function_type )( ); r01_function_type r01_function_value( &::SireSystem::AngleComponent::r01 ); AngleComponent_exposer.def( "r01" , r01_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the 0-1 distance" ); } { //::SireSystem::AngleComponent::r02 typedef ::SireCAS::Symbol const & ( *r02_function_type )( ); r02_function_type r02_function_value( &::SireSystem::AngleComponent::r02 ); AngleComponent_exposer.def( "r02" , r02_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the 0-2 distance" ); } { //::SireSystem::AngleComponent::r12 typedef ::SireCAS::Symbol const & ( *r12_function_type )( ); r12_function_type r12_function_value( &::SireSystem::AngleComponent::r12 ); AngleComponent_exposer.def( "r12" , r12_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the 1-2 distance" ); } { //::SireSystem::AngleComponent::theta typedef ::SireCAS::Symbol const & ( *theta_function_type )( ); theta_function_type theta_function_value( &::SireSystem::AngleComponent::theta ); AngleComponent_exposer.def( "theta" , theta_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the central angle between\nthe three points" ); } { //::SireSystem::AngleComponent::theta012 typedef ::SireCAS::Symbol const & ( *theta012_function_type )( ); theta012_function_type theta012_function_value( &::SireSystem::AngleComponent::theta012 ); AngleComponent_exposer.def( "theta012" , theta012_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 012 between\nthe three points" ); } { //::SireSystem::AngleComponent::theta021 typedef ::SireCAS::Symbol const & ( *theta021_function_type )( ); theta021_function_type theta021_function_value( &::SireSystem::AngleComponent::theta021 ); AngleComponent_exposer.def( "theta021" , theta021_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 021 between\nthe three points" ); } { //::SireSystem::AngleComponent::theta102 typedef ::SireCAS::Symbol const & ( *theta102_function_type )( ); theta102_function_type theta102_function_value( &::SireSystem::AngleComponent::theta102 ); AngleComponent_exposer.def( "theta102" , theta102_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 102 between\nthe three points" ); } { //::SireSystem::AngleComponent::toString typedef ::QString ( ::SireSystem::AngleComponent::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireSystem::AngleComponent::toString ); AngleComponent_exposer.def( "toString" , toString_function_value , "" ); } { //::SireSystem::AngleComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::AngleComponent::typeName ); AngleComponent_exposer.def( "typeName" , typeName_function_value , "" ); } AngleComponent_exposer.staticmethod( "r01" ); AngleComponent_exposer.staticmethod( "r02" ); AngleComponent_exposer.staticmethod( "r12" ); AngleComponent_exposer.staticmethod( "theta" ); AngleComponent_exposer.staticmethod( "theta012" ); AngleComponent_exposer.staticmethod( "theta021" ); AngleComponent_exposer.staticmethod( "theta102" ); AngleComponent_exposer.staticmethod( "typeName" ); AngleComponent_exposer.def( "__copy__", &__copy__); AngleComponent_exposer.def( "__deepcopy__", &__copy__); AngleComponent_exposer.def( "clone", &__copy__); AngleComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::AngleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AngleComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::AngleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AngleComponent_exposer.def( "__str__", &__str__< ::SireSystem::AngleComponent > ); AngleComponent_exposer.def( "__repr__", &__str__< ::SireSystem::AngleComponent > ); } }