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_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_AtomFloatProperty_class(){
{ //::SireMol::AtomProperty< double >
typedef bp::class_< SireMol::AtomProperty< double >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomFloatProperty_exposer_t;
AtomFloatProperty_exposer_t AtomFloatProperty_exposer = AtomFloatProperty_exposer_t( "AtomFloatProperty", "", bp::init< >("") );
bp::scope AtomFloatProperty_scope( AtomFloatProperty_exposer );
AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const &, double const & >(( bp::arg("molinfo"), bp::arg("default_value") ), "") );
AtomFloatProperty_exposer.def( bp::init< double const & >(( bp::arg("value") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireBase::PackedArray2D< double > const & >(( bp::arg("values") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireMol::AtomProperty< double > const & >(( bp::arg("other") ), "") );
{ //::SireMol::AtomProperty< double >::array
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double > const & ( ::SireMol::AtomProperty< double >::*array_function_type)( ) const;
array_function_type array_function_value( &::SireMol::AtomProperty< double >::array );
AtomFloatProperty_exposer.def(
"array"
, array_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::assertCanConvert
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*assertCanConvert_function_type)( ::QVariant const & ) const;
assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< double >::assertCanConvert );
AtomFloatProperty_exposer.def(
"assertCanConvert"
, assertCanConvert_function_value
, ( bp::arg("value") )
, "" );
}
{ //::SireMol::AtomProperty< double >::assignFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*assignFrom_function_type)( ::SireMol::AtomProperty< QVariant > const & ) ;
assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< double >::assignFrom );
AtomFloatProperty_exposer.def(
"assignFrom"
, assignFrom_function_value
, ( bp::arg("values") )
, "" );
}
{ //::SireMol::AtomProperty< double >::at
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGIdx ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< double >::at );
AtomFloatProperty_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::at
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGAtomIdx const & ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< double >::at );
AtomFloatProperty_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::canConvert
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*canConvert_function_type)( ::QVariant const & ) const;
canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< double >::canConvert );
AtomFloatProperty_exposer.def(
"canConvert"
, canConvert_function_value
, ( bp::arg("value") )
, "" );
}
{ //::SireMol::AtomProperty< double >::copyFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom );
AtomFloatProperty_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values") )
, "" );
}
{ //::SireMol::AtomProperty< double >::copyFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const &,::SireMol::AtomSelection const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom );
AtomFloatProperty_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values"), bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::count
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*count_function_type)( ) const;
count_function_type count_function_value( &::SireMol::AtomProperty< double >::count );
AtomFloatProperty_exposer.def(
"count"
, count_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::divide
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divide_function_type)( ::QVector< SireMol::AtomSelection > const & ) const;
divide_function_type divide_function_value( &::SireMol::AtomProperty< double >::divide );
AtomFloatProperty_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("beads") )
, "" );
}
{ //::SireMol::AtomProperty< double >::divideByResidue
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divideByResidue_function_type)( ::SireMol::MoleculeInfoData const & ) const;
divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< double >::divideByResidue );
AtomFloatProperty_exposer.def(
"divideByResidue"
, divideByResidue_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::fromVariant
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & );
fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< double >::fromVariant );
AtomFloatProperty_exposer.def(
"fromVariant"
, fromVariant_function_value
, ( bp::arg("variant") )
, "" );
}
{ //::SireMol::AtomProperty< double >::get
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGIdx ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< double >::get );
AtomFloatProperty_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::get
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGAtomIdx const & ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< double >::get );
AtomFloatProperty_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::isCompatibleWith
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfoData const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith );
AtomFloatProperty_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::isCompatibleWith
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfo const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith );
AtomFloatProperty_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::isEmpty
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isEmpty_function_type)( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::AtomProperty< double >::isEmpty );
AtomFloatProperty_exposer.def(
"isEmpty"
, isEmpty_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::matchToSelection
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > ( ::SireMol::AtomProperty< double >::*matchToSelection_function_type)( ::SireMol::AtomSelection const & ) const;
matchToSelection_function_type matchToSelection_function_value( &::SireMol::AtomProperty< double >::matchToSelection );
AtomFloatProperty_exposer.def(
"matchToSelection"
, matchToSelection_function_value
, ( bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::merge
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*merge_function_type)( ::SireMol::MoleculeInfoData const & ) const;
merge_function_type merge_function_value( &::SireMol::AtomProperty< double >::merge );
AtomFloatProperty_exposer.def(
"merge"
, merge_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::nAtoms
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms );
AtomFloatProperty_exposer.def(
"nAtoms"
, nAtoms_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::nAtoms
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ::SireMol::CGIdx ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms );
AtomFloatProperty_exposer.def(
"nAtoms"
, nAtoms_function_value
, ( bp::arg("cgidx") )
, "" );
}
{ //::SireMol::AtomProperty< double >::nCutGroups
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nCutGroups_function_type)( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< double >::nCutGroups );
AtomFloatProperty_exposer.def(
"nCutGroups"
, nCutGroups_function_value
, "" );
}
AtomFloatProperty_exposer.def( bp::self != bp::self );
{ //::SireMol::AtomProperty< double >::operator=
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*assign_function_type)( ::SireMol::AtomProperty< double > const & ) ;
assign_function_type assign_function_value( &::SireMol::AtomProperty< double >::operator= );
AtomFloatProperty_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
AtomFloatProperty_exposer.def( bp::self == bp::self );
{ //::SireMol::AtomProperty< double >::operator[]
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGIdx ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] );
AtomFloatProperty_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::operator[]
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGAtomIdx const & ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] );
AtomFloatProperty_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::set
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGAtomIdx const &,double const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< double >::set );
AtomFloatProperty_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgatomidx"), bp::arg("value") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::AtomProperty< double >::set
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGIdx,::QVector< double > const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< double >::set );
AtomFloatProperty_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("values") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::AtomProperty< double >::size
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*size_function_type)( ) const;
size_function_type size_function_value( &::SireMol::AtomProperty< double >::size );
AtomFloatProperty_exposer.def(
"size"
, size_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toString
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QString ( ::SireMol::AtomProperty< double >::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireMol::AtomProperty< double >::toString );
AtomFloatProperty_exposer.def(
"toString"
, toString_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVariant
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< double >::*toVariant_function_type)( ) const;
toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< double >::toVariant );
AtomFloatProperty_exposer.def(
"toVariant"
, toVariant_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVector
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector );
AtomFloatProperty_exposer.def(
"toVector"
, toVector_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVector
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ::SireMol::AtomSelection const & ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector );
AtomFloatProperty_exposer.def(
"toVector"
, toVector_function_value
, ( bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::typeName
typedef SireMol::AtomProperty< double > exported_class_t;
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::AtomProperty< double >::typeName );
AtomFloatProperty_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
AtomFloatProperty_exposer.staticmethod( "fromVariant" );
AtomFloatProperty_exposer.staticmethod( "typeName" );
AtomFloatProperty_exposer.def( "__copy__", &__copy__);
AtomFloatProperty_exposer.def( "__deepcopy__", &__copy__);
AtomFloatProperty_exposer.def( "clone", &__copy__);
AtomFloatProperty_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<double> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomFloatProperty_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<double> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomFloatProperty_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<double> > );
AtomFloatProperty_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<double> > );
AtomFloatProperty_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<double> > );
}
}
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);
}
}
void register_AtomCoords_class(){
{ //::SireMol::AtomProperty< SireMaths::Vector >
typedef bp::class_< SireMol::AtomProperty< SireMaths::Vector >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomCoords_exposer_t;
AtomCoords_exposer_t AtomCoords_exposer = AtomCoords_exposer_t( "AtomCoords", bp::init< >() );
bp::scope AtomCoords_scope( AtomCoords_exposer );
AtomCoords_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") )) );
AtomCoords_exposer.def( bp::init< SireVol::CoordGroup const & >(( bp::arg("cgroup") )) );
AtomCoords_exposer.def( bp::init< SireVol::CoordGroupArray const & >(( bp::arg("cgroups") )) );
AtomCoords_exposer.def( bp::init< SireMol::AtomProperty< SireMaths::Vector > const & >(( bp::arg("other") )) );
{ //::SireMol::AtomProperty< SireMaths::Vector >::array
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroupArray const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*array_function_type )( ) const;
array_function_type array_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::array );
AtomCoords_exposer.def(
"array"
, array_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assertCanConvert_function_type )( ::QVariant const & ) const;
assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert );
AtomCoords_exposer.def(
"assertCanConvert"
, assertCanConvert_function_value
, ( bp::arg("value") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::assignFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assignFrom_function_type )( ::SireMol::AtomProperty< QVariant > const & ) ;
assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assignFrom );
AtomCoords_exposer.def(
"assignFrom"
, assignFrom_function_value
, ( bp::arg("values") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::at
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGIdx ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at );
AtomCoords_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::at
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGAtomIdx const & ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at );
AtomCoords_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::canConvert
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*canConvert_function_type )( ::QVariant const & ) const;
canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::canConvert );
AtomCoords_exposer.def(
"canConvert"
, canConvert_function_value
, ( bp::arg("value") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame );
AtomCoords_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("from_frame"), bp::arg("to_frame") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame );
AtomCoords_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("cgidx"), bp::arg("from_frame"), bp::arg("to_frame") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom );
AtomCoords_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const &,::SireMol::AtomSelection const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom );
AtomCoords_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values"), bp::arg("selection") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::count
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*count_function_type )( ) const;
count_function_type count_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::count );
AtomCoords_exposer.def(
"count"
, count_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::divide
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divide_function_type )( ::QVector< SireMol::AtomSelection > const & ) const;
divide_function_type divide_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divide );
AtomCoords_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("beads") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divideByResidue_function_type )( ::SireMol::MoleculeInfoData const & ) const;
divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue );
AtomCoords_exposer.def(
"divideByResidue"
, divideByResidue_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::fromVariant
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & );
fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::fromVariant );
AtomCoords_exposer.def(
"fromVariant"
, fromVariant_function_value
, ( bp::arg("variant") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::get
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGIdx ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get );
AtomCoords_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::get
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGAtomIdx const & ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get );
AtomCoords_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*isCompatibleWith_function_type )( ::SireMol::MoleculeInfoData const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith );
AtomCoords_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::mapInto
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto );
AtomCoords_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("axes") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::mapInto
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto );
AtomCoords_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("cgidx"), bp::arg("axes") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::merge
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*merge_function_type )( ::SireMol::MoleculeInfoData const & ) const;
merge_function_type merge_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::merge );
AtomCoords_exposer.def(
"merge"
, merge_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms );
AtomCoords_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ::SireMol::CGIdx ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms );
AtomCoords_exposer.def(
"nAtoms"
, nAtoms_function_value
, ( bp::arg("cgidx") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nCutGroups_function_type )( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups );
AtomCoords_exposer.def(
"nCutGroups"
, nCutGroups_function_value );
}
AtomCoords_exposer.def( bp::self != bp::self );
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator=
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*assign_function_type )( ::SireMol::AtomProperty< SireMaths::Vector > const & ) ;
assign_function_type assign_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator= );
AtomCoords_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
AtomCoords_exposer.def( bp::self == bp::self );
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator[]
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGIdx ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] );
AtomCoords_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator[]
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGAtomIdx const & ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] );
AtomCoords_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("quat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("rotmat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("cgidx"), bp::arg("quat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("cgidx"), bp::arg("rotmat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGAtomIdx const &,::SireMaths::Vector const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgatomidx"), bp::arg("value") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::QVector< SireMaths::Vector > const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("values") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::SireVol::CoordGroup const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("cgroup") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::size
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*size_function_type )( ) const;
size_function_type size_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::size );
AtomCoords_exposer.def(
"size"
, size_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVariant
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVariant_function_type )( ) const;
toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVariant );
AtomCoords_exposer.def(
"toVariant"
, toVariant_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVector
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector );
AtomCoords_exposer.def(
"toVector"
, toVector_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVector
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ::SireMol::AtomSelection const & ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector );
AtomCoords_exposer.def(
"toVector"
, toVector_function_value
, ( bp::arg("selection") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::transform
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform );
AtomCoords_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("t") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::transform
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMol::CGIdx,::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform );
AtomCoords_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("cgidx"), bp::arg("t") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::translate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate );
AtomCoords_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("delta") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::translate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMol::CGIdx,::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate );
AtomCoords_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("cgidx"), bp::arg("delta") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::typeName
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::typeName );
AtomCoords_exposer.def(
"typeName"
, typeName_function_value );
}
AtomCoords_exposer.staticmethod( "fromVariant" );
AtomCoords_exposer.staticmethod( "typeName" );
AtomCoords_exposer.def( "__copy__", &__copy__);
AtomCoords_exposer.def( "__deepcopy__", &__copy__);
AtomCoords_exposer.def( "clone", &__copy__);
AtomCoords_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomCoords_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomCoords_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > );
AtomCoords_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > );
AtomCoords_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<SireMaths::Vector> > );
}
}
void register_PartialMolecule_class(){
{ //::SireMol::PartialMolecule
typedef bp::class_< SireMol::PartialMolecule, bp::bases< SireMol::MoleculeView, SireBase::Property > > PartialMolecule_exposer_t;
PartialMolecule_exposer_t PartialMolecule_exposer = PartialMolecule_exposer_t( "PartialMolecule", bp::init< >() );
bp::scope PartialMolecule_scope( PartialMolecule_exposer );
PartialMolecule_exposer.def( bp::init< SireMol::MoleculeView const & >(( bp::arg("molecule") )) );
PartialMolecule_exposer.def( bp::init< SireMol::MoleculeData const &, SireMol::AtomSelection const & >(( bp::arg("moldata"), bp::arg("atoms") )) );
PartialMolecule_exposer.def( bp::init< SireMol::PartialMolecule const & >(( bp::arg("other") )) );
{ //::SireMol::PartialMolecule::evaluate
typedef ::SireMol::Evaluator ( ::SireMol::PartialMolecule::*evaluate_function_type )( ) const;
evaluate_function_type evaluate_function_value( &::SireMol::PartialMolecule::evaluate );
PartialMolecule_exposer.def(
"evaluate"
, evaluate_function_value );
}
{ //::SireMol::PartialMolecule::extract
typedef ::SireMol::PartialMolecule ( ::SireMol::PartialMolecule::*extract_function_type )( ) const;
extract_function_type extract_function_value( &::SireMol::PartialMolecule::extract );
PartialMolecule_exposer.def(
"extract"
, extract_function_value );
}
{ //::SireMol::PartialMolecule::hasMetadata
typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata );
PartialMolecule_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("metakey") ) );
}
{ //::SireMol::PartialMolecule::hasMetadata
typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata );
PartialMolecule_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("key"), bp::arg("metakey") ) );
}
{ //::SireMol::PartialMolecule::hasProperty
typedef bool ( ::SireMol::PartialMolecule::*hasProperty_function_type )( ::SireBase::PropertyName const & ) const;
hasProperty_function_type hasProperty_function_value( &::SireMol::PartialMolecule::hasProperty );
PartialMolecule_exposer.def(
"hasProperty"
, hasProperty_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::PartialMolecule::isEmpty
typedef bool ( ::SireMol::PartialMolecule::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::PartialMolecule::isEmpty );
PartialMolecule_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMol::PartialMolecule::metadata
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const & ) const;
metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata );
PartialMolecule_exposer.def(
"metadata"
, metadata_function_value
, ( bp::arg("metakey") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::metadata
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata );
PartialMolecule_exposer.def(
"metadata"
, metadata_function_value
, ( bp::arg("key"), bp::arg("metakey") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::metadataKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys );
PartialMolecule_exposer.def(
"metadataKeys"
, metadataKeys_function_value );
}
{ //::SireMol::PartialMolecule::metadataKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ::SireBase::PropertyName const & ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys );
PartialMolecule_exposer.def(
"metadataKeys"
, metadataKeys_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::PartialMolecule::move
typedef ::SireMol::Mover< SireMol::PartialMolecule > ( ::SireMol::PartialMolecule::*move_function_type )( ) const;
move_function_type move_function_value( &::SireMol::PartialMolecule::move );
PartialMolecule_exposer.def(
"move"
, move_function_value );
}
{ //::SireMol::PartialMolecule::nAtoms
typedef int ( ::SireMol::PartialMolecule::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::PartialMolecule::nAtoms );
PartialMolecule_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMol::PartialMolecule::nChains
typedef int ( ::SireMol::PartialMolecule::*nChains_function_type )( ) const;
nChains_function_type nChains_function_value( &::SireMol::PartialMolecule::nChains );
PartialMolecule_exposer.def(
"nChains"
, nChains_function_value );
}
{ //::SireMol::PartialMolecule::nCutGroups
typedef int ( ::SireMol::PartialMolecule::*nCutGroups_function_type )( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::PartialMolecule::nCutGroups );
PartialMolecule_exposer.def(
"nCutGroups"
, nCutGroups_function_value );
}
{ //::SireMol::PartialMolecule::nResidues
typedef int ( ::SireMol::PartialMolecule::*nResidues_function_type )( ) const;
nResidues_function_type nResidues_function_value( &::SireMol::PartialMolecule::nResidues );
PartialMolecule_exposer.def(
"nResidues"
, nResidues_function_value );
}
{ //::SireMol::PartialMolecule::nSegments
typedef int ( ::SireMol::PartialMolecule::*nSegments_function_type )( ) const;
nSegments_function_type nSegments_function_value( &::SireMol::PartialMolecule::nSegments );
PartialMolecule_exposer.def(
"nSegments"
, nSegments_function_value );
}
{ //::SireMol::PartialMolecule::name
typedef ::SireMol::MolName const & ( ::SireMol::PartialMolecule::*name_function_type )( ) const;
name_function_type name_function_value( &::SireMol::PartialMolecule::name );
PartialMolecule_exposer.def(
"name"
, name_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::number
typedef ::SireMol::MolNum ( ::SireMol::PartialMolecule::*number_function_type )( ) const;
number_function_type number_function_value( &::SireMol::PartialMolecule::number );
PartialMolecule_exposer.def(
"number"
, number_function_value );
}
PartialMolecule_exposer.def( bp::self != bp::self );
{ //::SireMol::PartialMolecule::operator=
typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::MoleculeView const & ) ;
assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= );
PartialMolecule_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
{ //::SireMol::PartialMolecule::operator=
typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::PartialMolecule const & ) ;
assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= );
PartialMolecule_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
PartialMolecule_exposer.def( bp::self == bp::self );
{ //::SireMol::PartialMolecule::property
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*property_function_type )( ::SireBase::PropertyName const & ) const;
property_function_type property_function_value( &::SireMol::PartialMolecule::property );
PartialMolecule_exposer.def(
"property"
, property_function_value
, ( bp::arg("key") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::propertyKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*propertyKeys_function_type )( ) const;
propertyKeys_function_type propertyKeys_function_value( &::SireMol::PartialMolecule::propertyKeys );
PartialMolecule_exposer.def(
"propertyKeys"
, propertyKeys_function_value );
}
{ //::SireMol::PartialMolecule::selectedAll
typedef bool ( ::SireMol::PartialMolecule::*selectedAll_function_type )( ) const;
selectedAll_function_type selectedAll_function_value( &::SireMol::PartialMolecule::selectedAll );
PartialMolecule_exposer.def(
"selectedAll"
, selectedAll_function_value );
}
{ //::SireMol::PartialMolecule::selection
typedef ::SireMol::AtomSelection ( ::SireMol::PartialMolecule::*selection_function_type )( ) const;
selection_function_type selection_function_value( &::SireMol::PartialMolecule::selection );
PartialMolecule_exposer.def(
"selection"
, selection_function_value );
}
{ //::SireMol::PartialMolecule::toString
typedef ::QString ( ::SireMol::PartialMolecule::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMol::PartialMolecule::toString );
PartialMolecule_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMol::PartialMolecule::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::PartialMolecule::typeName );
PartialMolecule_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMol::PartialMolecule::version
typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ) const;
version_function_type version_function_value( &::SireMol::PartialMolecule::version );
PartialMolecule_exposer.def(
"version"
, version_function_value );
}
{ //::SireMol::PartialMolecule::version
typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ::SireBase::PropertyName const & ) const;
version_function_type version_function_value( &::SireMol::PartialMolecule::version );
PartialMolecule_exposer.def(
"version"
, version_function_value
, ( bp::arg("key") ) );
}
PartialMolecule_exposer.staticmethod( "typeName" );
PartialMolecule_exposer.def( "__copy__", &__copy__);
PartialMolecule_exposer.def( "__deepcopy__", &__copy__);
PartialMolecule_exposer.def( "clone", &__copy__);
PartialMolecule_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::PartialMolecule >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PartialMolecule_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::PartialMolecule >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PartialMolecule_exposer.def( "__str__", &__str__< ::SireMol::PartialMolecule > );
PartialMolecule_exposer.def( "__repr__", &__str__< ::SireMol::PartialMolecule > );
}
}
