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);
}
}
