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_CLJBoxes_class(){
{ //::SireMM::CLJBoxes
typedef bp::class_< SireMM::CLJBoxes > CLJBoxes_exposer_t;
CLJBoxes_exposer_t CLJBoxes_exposer = CLJBoxes_exposer_t( "CLJBoxes", bp::init< >() );
bp::scope CLJBoxes_scope( CLJBoxes_exposer );
CLJBoxes_exposer.def( bp::init< SireUnits::Dimension::Length >(( bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const & >(( bp::arg("atoms") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const & >(( bp::arg("atoms0"), bp::arg("atoms1") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms"), bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms0"), bp::arg("atoms1"), bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJBoxes const & >(( bp::arg("other") )) );
{ //::SireMM::CLJBoxes::add
typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*add_function_type )( ::SireMM::CLJAtoms const & ) ;
add_function_type add_function_value( &::SireMM::CLJBoxes::add );
CLJBoxes_exposer.def(
"add"
, add_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::at
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*at_function_type )( ::SireMM::CLJBoxIndex const & ) const;
at_function_type at_function_value( &::SireMM::CLJBoxes::at );
CLJBoxes_exposer.def(
"at"
, at_function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::atoms
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ) const;
atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms );
CLJBoxes_exposer.def(
"atoms"
, atoms_function_value );
}
{ //::SireMM::CLJBoxes::atoms
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const;
atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms );
CLJBoxes_exposer.def(
"atoms"
, atoms_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( int ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("i") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMM::CLJBoxIndex const & ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("index") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMaths::Vector const & ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("coords") ) );
}
{ //::SireMM::CLJBoxes::boxDimensions
typedef ::QVector< SireVol::AABox > ( ::SireMM::CLJBoxes::*boxDimensions_function_type )( ) const;
boxDimensions_function_type boxDimensions_function_value( &::SireMM::CLJBoxes::boxDimensions );
CLJBoxes_exposer.def(
"boxDimensions"
, boxDimensions_function_value );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( int ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("i") ) );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMM::CLJBoxIndex const & ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("index") ) );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMaths::Vector const & ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("coords") ) );
}
{ //::SireMM::CLJBoxes::boxes
typedef ::QVector< SireMM::CLJBox > ( ::SireMM::CLJBoxes::*boxes_function_type )( ) const;
boxes_function_type boxes_function_value( &::SireMM::CLJBoxes::boxes );
CLJBoxes_exposer.def(
"boxes"
, boxes_function_value );
}
{ //::SireMM::CLJBoxes::get
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*get_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const;
get_function_type get_function_value( &::SireMM::CLJBoxes::get );
CLJBoxes_exposer.def(
"get"
, get_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("box0"), bp::arg("box1") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("space"), bp::arg("box0"), bp::arg("box1") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const &,::quint32,::quint32,::quint32 ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("space"), bp::arg("box0"), bp::arg("box1"), bp::arg("nx"), bp::arg("ny"), bp::arg("nz") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getitem
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*getitem_function_type )( ::SireMM::CLJBoxIndex const & ) const;
getitem_function_type getitem_function_value( &::SireMM::CLJBoxes::getitem );
CLJBoxes_exposer.def(
"getitem"
, getitem_function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::isEmpty
typedef bool ( ::SireMM::CLJBoxes::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMM::CLJBoxes::isEmpty );
CLJBoxes_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMM::CLJBoxes::length
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJBoxes::*length_function_type )( ) const;
length_function_type length_function_value( &::SireMM::CLJBoxes::length );
CLJBoxes_exposer.def(
"length"
, length_function_value );
}
{ //::SireMM::CLJBoxes::nAtoms
typedef int ( ::SireMM::CLJBoxes::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMM::CLJBoxes::nAtoms );
CLJBoxes_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMM::CLJBoxes::nOccupiedBoxes
typedef int ( ::SireMM::CLJBoxes::*nOccupiedBoxes_function_type )( ) const;
nOccupiedBoxes_function_type nOccupiedBoxes_function_value( &::SireMM::CLJBoxes::nOccupiedBoxes );
CLJBoxes_exposer.def(
"nOccupiedBoxes"
, nOccupiedBoxes_function_value );
}
{ //::SireMM::CLJBoxes::occupiedBoxIndicies
typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*occupiedBoxIndicies_function_type )( ) const;
occupiedBoxIndicies_function_type occupiedBoxIndicies_function_value( &::SireMM::CLJBoxes::occupiedBoxIndicies );
CLJBoxes_exposer.def(
"occupiedBoxIndicies"
, occupiedBoxIndicies_function_value );
}
{ //::SireMM::CLJBoxes::occupiedBoxes
typedef ::QVector< SireMM::CLJBoxPtr > const & ( ::SireMM::CLJBoxes::*occupiedBoxes_function_type )( ) const;
occupiedBoxes_function_type occupiedBoxes_function_value( &::SireMM::CLJBoxes::occupiedBoxes );
CLJBoxes_exposer.def(
"occupiedBoxes"
, occupiedBoxes_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
CLJBoxes_exposer.def( bp::self != bp::self );
CLJBoxes_exposer.def( bp::self + bp::self );
{ //::SireMM::CLJBoxes::operator=
typedef ::SireMM::CLJBoxes & ( ::SireMM::CLJBoxes::*assign_function_type )( ::SireMM::CLJBoxes const & ) ;
assign_function_type assign_function_value( &::SireMM::CLJBoxes::operator= );
CLJBoxes_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
CLJBoxes_exposer.def( bp::self == bp::self );
{ //::SireMM::CLJBoxes::operator[]
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*__getitem___function_type )( ::SireMM::CLJBoxIndex const & ) const;
__getitem___function_type __getitem___function_value( &::SireMM::CLJBoxes::operator[] );
CLJBoxes_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::remove
typedef void ( ::SireMM::CLJBoxes::*remove_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ;
remove_function_type remove_function_value( &::SireMM::CLJBoxes::remove );
CLJBoxes_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::squeeze
typedef ::SireMM::CLJBoxes ( ::SireMM::CLJBoxes::*squeeze_function_type )( ) const;
squeeze_function_type squeeze_function_value( &::SireMM::CLJBoxes::squeeze );
CLJBoxes_exposer.def(
"squeeze"
, squeeze_function_value );
}
{ //::SireMM::CLJBoxes::take
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*take_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ;
take_function_type take_function_value( &::SireMM::CLJBoxes::take );
CLJBoxes_exposer.def(
"take"
, take_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::toString
typedef ::QString ( ::SireMM::CLJBoxes::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMM::CLJBoxes::toString );
CLJBoxes_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMM::CLJBoxes::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::CLJBoxes::typeName );
CLJBoxes_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::CLJBoxes::what
typedef char const * ( ::SireMM::CLJBoxes::*what_function_type )( ) const;
what_function_type what_function_value( &::SireMM::CLJBoxes::what );
CLJBoxes_exposer.def(
"what"
, what_function_value );
}
CLJBoxes_exposer.staticmethod( "getDistances" );
CLJBoxes_exposer.staticmethod( "typeName" );
CLJBoxes_exposer.def( "__copy__", &__copy__);
CLJBoxes_exposer.def( "__deepcopy__", &__copy__);
CLJBoxes_exposer.def( "clone", &__copy__);
CLJBoxes_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJBoxes >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJBoxes_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJBoxes >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJBoxes_exposer.def( "__str__", &__str__< ::SireMM::CLJBoxes > );
CLJBoxes_exposer.def( "__repr__", &__str__< ::SireMM::CLJBoxes > );
CLJBoxes_exposer.def( "__getitem__", &::SireMM::CLJBoxes::getitem );
}
}
