void register_GridPotentialTable_class(){
{ //::SireFF::GridPotentialTable
typedef bp::class_< SireFF::GridPotentialTable > GridPotentialTable_exposer_t;
GridPotentialTable_exposer_t GridPotentialTable_exposer = GridPotentialTable_exposer_t( "GridPotentialTable", bp::init< >() );
bp::scope GridPotentialTable_scope( GridPotentialTable_exposer );
GridPotentialTable_exposer.def( bp::init< SireVol::Grid const & >(( bp::arg("grid") )) );
GridPotentialTable_exposer.def( bp::init< SireFF::GridPotentialTable const & >(( bp::arg("other") )) );
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type )( int,::SireUnits::Dimension::MolarEnergy const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("ipoint"), bp::arg("potential") ) );
}
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type )( ::SireFF::GridPotentialTable const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("other") ) );
}
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("potential") ) );
}
{ //::SireFF::GridPotentialTable::at
typedef ::SireUnits::Dimension::MolarEnergy const & ( ::SireFF::GridPotentialTable::*at_function_type )( int ) const;
at_function_type at_function_value( &::SireFF::GridPotentialTable::at );
GridPotentialTable_exposer.def(
"at"
, at_function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireFF::GridPotentialTable::count
typedef int ( ::SireFF::GridPotentialTable::*count_function_type )( ) const;
count_function_type count_function_value( &::SireFF::GridPotentialTable::count );
GridPotentialTable_exposer.def(
"count"
, count_function_value );
}
{ //::SireFF::GridPotentialTable::divide
typedef void ( ::SireFF::GridPotentialTable::*divide_function_type )( double ) ;
divide_function_type divide_function_value( &::SireFF::GridPotentialTable::divide );
GridPotentialTable_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("value") ) );
}
{ //::SireFF::GridPotentialTable::grid
typedef ::SireVol::Grid const & ( ::SireFF::GridPotentialTable::*grid_function_type )( ) const;
grid_function_type grid_function_value( &::SireFF::GridPotentialTable::grid );
GridPotentialTable_exposer.def(
"grid"
, grid_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireFF::GridPotentialTable::initialise
typedef void ( ::SireFF::GridPotentialTable::*initialise_function_type )( ) ;
initialise_function_type initialise_function_value( &::SireFF::GridPotentialTable::initialise );
GridPotentialTable_exposer.def(
"initialise"
, initialise_function_value );
}
{ //::SireFF::GridPotentialTable::multiply
typedef void ( ::SireFF::GridPotentialTable::*multiply_function_type )( double ) ;
multiply_function_type multiply_function_value( &::SireFF::GridPotentialTable::multiply );
GridPotentialTable_exposer.def(
"multiply"
, multiply_function_value
, ( bp::arg("value") ) );
}
{ //::SireFF::GridPotentialTable::nPoints
typedef int ( ::SireFF::GridPotentialTable::*nPoints_function_type )( ) const;
nPoints_function_type nPoints_function_value( &::SireFF::GridPotentialTable::nPoints );
GridPotentialTable_exposer.def(
"nPoints"
, nPoints_function_value );
}
GridPotentialTable_exposer.def( bp::self != bp::self );
GridPotentialTable_exposer.def( bp::self * bp::other< double >() );
GridPotentialTable_exposer.def( bp::self + bp::self );
GridPotentialTable_exposer.def( bp::self + bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() );
GridPotentialTable_exposer.def( bp::self - bp::self );
GridPotentialTable_exposer.def( bp::self - bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() );
GridPotentialTable_exposer.def( -bp::self );
GridPotentialTable_exposer.def( bp::self / bp::other< double >() );
{ //::SireFF::GridPotentialTable::operator=
typedef ::SireFF::GridPotentialTable & ( ::SireFF::GridPotentialTable::*assign_function_type )( ::SireFF::GridPotentialTable const & ) ;
assign_function_type assign_function_value( &::SireFF::GridPotentialTable::operator= );
GridPotentialTable_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
{ //::SireFF::GridPotentialTable::operator=
typedef ::SireFF::GridPotentialTable & ( ::SireFF::GridPotentialTable::*assign_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ;
assign_function_type assign_function_value( &::SireFF::GridPotentialTable::operator= );
GridPotentialTable_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("potential") )
, bp::return_self< >() );
}
GridPotentialTable_exposer.def( bp::self == bp::self );
{ //::SireFF::GridPotentialTable::operator[]
typedef ::SireUnits::Dimension::MolarEnergy & ( ::SireFF::GridPotentialTable::*__getitem___function_type )( int ) ;
__getitem___function_type __getitem___function_value( &::SireFF::GridPotentialTable::operator[] );
GridPotentialTable_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_internal_reference< >() );
}
{ //::SireFF::GridPotentialTable::operator[]
typedef ::SireUnits::Dimension::MolarEnergy const & ( ::SireFF::GridPotentialTable::*__getitem___function_type )( int ) const;
__getitem___function_type __getitem___function_value( &::SireFF::GridPotentialTable::operator[] );
GridPotentialTable_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireFF::GridPotentialTable::setAll
typedef void ( ::SireFF::GridPotentialTable::*setAll_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ;
setAll_function_type setAll_function_value( &::SireFF::GridPotentialTable::setAll );
GridPotentialTable_exposer.def(
"setAll"
, setAll_function_value
, ( bp::arg("potential") ) );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type )( int,::SireUnits::Dimension::MolarEnergy const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("ipoint"), bp::arg("potential") ) );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type )( ::SireFF::GridPotentialTable const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("other") ) );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("potential") ) );
}
{ //::SireFF::GridPotentialTable::toVector
typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::GridPotentialTable::*toVector_function_type )( ) const;
toVector_function_type toVector_function_value( &::SireFF::GridPotentialTable::toVector );
GridPotentialTable_exposer.def(
"toVector"
, toVector_function_value );
}
{ //::SireFF::GridPotentialTable::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireFF::GridPotentialTable::typeName );
GridPotentialTable_exposer.def(
"typeName"
, typeName_function_value );
}
GridPotentialTable_exposer.staticmethod( "typeName" );
GridPotentialTable_exposer.def( "__copy__", &__copy__);
GridPotentialTable_exposer.def( "__deepcopy__", &__copy__);
GridPotentialTable_exposer.def( "clone", &__copy__);
GridPotentialTable_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::GridPotentialTable >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
GridPotentialTable_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::GridPotentialTable >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
GridPotentialTable_exposer.def( "__str__", &pvt_get_name);
GridPotentialTable_exposer.def( "__repr__", &pvt_get_name);
GridPotentialTable_exposer.def( "__len__", &__len_count< ::SireFF::GridPotentialTable > );
}
}
void register_GridPotentialTable_class(){
{ //::SireFF::GridPotentialTable
typedef bp::class_< SireFF::GridPotentialTable > GridPotentialTable_exposer_t;
GridPotentialTable_exposer_t GridPotentialTable_exposer = GridPotentialTable_exposer_t( "GridPotentialTable", "A GridPotentialTable contains the potentials at point specified by a grid", bp::init< >("Null constructor") );
bp::scope GridPotentialTable_scope( GridPotentialTable_exposer );
GridPotentialTable_exposer.def( bp::init< SireVol::Grid const & >(( bp::arg("grid") ), "Construct to hold the potential at each of the points of the passed grid") );
GridPotentialTable_exposer.def( bp::init< SireFF::GridPotentialTable const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type)( int,::SireUnits::Dimension::MolarEnergy const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("ipoint"), bp::arg("potential") )
, "Add the potential potential onto the potential for the ipointth grid point\nThrow: SireError::invalid_index\n" );
}
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type)( ::SireFF::GridPotentialTable const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("other") )
, "Add the potential in other onto that for this table - this only\nadds the potential if the two grids are identical" );
}
{ //::SireFF::GridPotentialTable::add
typedef void ( ::SireFF::GridPotentialTable::*add_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ;
add_function_type add_function_value( &::SireFF::GridPotentialTable::add );
GridPotentialTable_exposer.def(
"add"
, add_function_value
, ( bp::arg("potential") )
, "Add the potential potential to all of the points in this table" );
}
{ //::SireFF::GridPotentialTable::at
typedef ::SireUnits::Dimension::MolarEnergy const & ( ::SireFF::GridPotentialTable::*at_function_type)( int ) const;
at_function_type at_function_value( &::SireFF::GridPotentialTable::at );
GridPotentialTable_exposer.def(
"at"
, at_function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >()
, "Return the potential value of the ith grid point\nThrow: SireError::invalid_index\n" );
}
{ //::SireFF::GridPotentialTable::count
typedef int ( ::SireFF::GridPotentialTable::*count_function_type)( ) const;
count_function_type count_function_value( &::SireFF::GridPotentialTable::count );
GridPotentialTable_exposer.def(
"count"
, count_function_value
, "Return the number of grid points (and thus potential values)" );
}
{ //::SireFF::GridPotentialTable::divide
typedef void ( ::SireFF::GridPotentialTable::*divide_function_type)( double ) ;
divide_function_type divide_function_value( &::SireFF::GridPotentialTable::divide );
GridPotentialTable_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("value") )
, "Divide the potential at all of the points in this table by value" );
}
{ //::SireFF::GridPotentialTable::grid
typedef ::SireVol::Grid const & ( ::SireFF::GridPotentialTable::*grid_function_type)( ) const;
grid_function_type grid_function_value( &::SireFF::GridPotentialTable::grid );
GridPotentialTable_exposer.def(
"grid"
, grid_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the grid that contains the points at which the potential is\nevaluated - the order of points in the grid is the same as the order\nof potential values in this table" );
}
{ //::SireFF::GridPotentialTable::initialise
typedef void ( ::SireFF::GridPotentialTable::*initialise_function_type)( ) ;
initialise_function_type initialise_function_value( &::SireFF::GridPotentialTable::initialise );
GridPotentialTable_exposer.def(
"initialise"
, initialise_function_value
, "Initialise the potential at each grid point to equal 0" );
}
{ //::SireFF::GridPotentialTable::multiply
typedef void ( ::SireFF::GridPotentialTable::*multiply_function_type)( double ) ;
multiply_function_type multiply_function_value( &::SireFF::GridPotentialTable::multiply );
GridPotentialTable_exposer.def(
"multiply"
, multiply_function_value
, ( bp::arg("value") )
, "Multiply the potential at all of the points in this table by value" );
}
{ //::SireFF::GridPotentialTable::nPoints
typedef int ( ::SireFF::GridPotentialTable::*nPoints_function_type)( ) const;
nPoints_function_type nPoints_function_value( &::SireFF::GridPotentialTable::nPoints );
GridPotentialTable_exposer.def(
"nPoints"
, nPoints_function_value
, "Return the number of grid points (and thus potential values)" );
}
GridPotentialTable_exposer.def( bp::self != bp::self );
GridPotentialTable_exposer.def( bp::self * bp::other< double >() );
GridPotentialTable_exposer.def( bp::self + bp::self );
GridPotentialTable_exposer.def( bp::self + bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() );
GridPotentialTable_exposer.def( bp::self - bp::self );
GridPotentialTable_exposer.def( bp::self - bp::other< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > >() );
GridPotentialTable_exposer.def( -bp::self );
GridPotentialTable_exposer.def( bp::self / bp::other< double >() );
{ //::SireFF::GridPotentialTable::operator=
typedef ::SireFF::GridPotentialTable & ( ::SireFF::GridPotentialTable::*assign_function_type)( ::SireFF::GridPotentialTable const & ) ;
assign_function_type assign_function_value( &::SireFF::GridPotentialTable::operator= );
GridPotentialTable_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
{ //::SireFF::GridPotentialTable::operator=
typedef ::SireFF::GridPotentialTable & ( ::SireFF::GridPotentialTable::*assign_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ;
assign_function_type assign_function_value( &::SireFF::GridPotentialTable::operator= );
GridPotentialTable_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("potential") )
, bp::return_self< >()
, "" );
}
GridPotentialTable_exposer.def( bp::self == bp::self );
{ //::SireFF::GridPotentialTable::operator[]
typedef ::SireUnits::Dimension::MolarEnergy & ( ::SireFF::GridPotentialTable::*__getitem___function_type)( int ) ;
__getitem___function_type __getitem___function_value( &::SireFF::GridPotentialTable::operator[] );
GridPotentialTable_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_internal_reference< >()
, "" );
}
{ //::SireFF::GridPotentialTable::operator[]
typedef ::SireUnits::Dimension::MolarEnergy const & ( ::SireFF::GridPotentialTable::*__getitem___function_type)( int ) const;
__getitem___function_type __getitem___function_value( &::SireFF::GridPotentialTable::operator[] );
GridPotentialTable_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireFF::GridPotentialTable::setAll
typedef void ( ::SireFF::GridPotentialTable::*setAll_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ;
setAll_function_type setAll_function_value( &::SireFF::GridPotentialTable::setAll );
GridPotentialTable_exposer.def(
"setAll"
, setAll_function_value
, ( bp::arg("potential") )
, "Set the potential at all of the points in this table equal to potential" );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type)( int,::SireUnits::Dimension::MolarEnergy const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("ipoint"), bp::arg("potential") )
, "Subtract the potential potential from the potential for the ipointth grid point\nThrow: SireError::invalid_index\n" );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type)( ::SireFF::GridPotentialTable const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("other") )
, "Subtract the potential in other from that for this table - this only\nsubtracts the potential if the two grids are identical" );
}
{ //::SireFF::GridPotentialTable::subtract
typedef void ( ::SireFF::GridPotentialTable::*subtract_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ;
subtract_function_type subtract_function_value( &::SireFF::GridPotentialTable::subtract );
GridPotentialTable_exposer.def(
"subtract"
, subtract_function_value
, ( bp::arg("potential") )
, "Subtract the potential potential from all of the points in this table" );
}
{ //::SireFF::GridPotentialTable::toVector
typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::GridPotentialTable::*toVector_function_type)( ) const;
toVector_function_type toVector_function_value( &::SireFF::GridPotentialTable::toVector );
GridPotentialTable_exposer.def(
"toVector"
, toVector_function_value
, "Return the array of potential values - the order is the same\nas the order of points in the grid" );
}
{ //::SireFF::GridPotentialTable::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireFF::GridPotentialTable::typeName );
GridPotentialTable_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
GridPotentialTable_exposer.staticmethod( "typeName" );
GridPotentialTable_exposer.def( "__copy__", &__copy__);
GridPotentialTable_exposer.def( "__deepcopy__", &__copy__);
GridPotentialTable_exposer.def( "clone", &__copy__);
GridPotentialTable_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::GridPotentialTable >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
GridPotentialTable_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::GridPotentialTable >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
GridPotentialTable_exposer.def( "__str__", &pvt_get_name);
GridPotentialTable_exposer.def( "__repr__", &pvt_get_name);
GridPotentialTable_exposer.def( "__len__", &__len_count< ::SireFF::GridPotentialTable > );
}
}
void register_InterFF_class(){
{ //::SireMM::InterFF
typedef bp::class_< SireMM::InterFF, bp::bases< SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > InterFF_exposer_t;
InterFF_exposer_t InterFF_exposer = InterFF_exposer_t( "InterFF", bp::init< >() );
bp::scope InterFF_scope( InterFF_exposer );
InterFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) );
InterFF_exposer.def( bp::init< SireMM::InterFF const & >(( bp::arg("other") )) );
{ //::SireMM::InterFF::accept
typedef void ( ::SireMM::InterFF::*accept_function_type )( ) ;
accept_function_type accept_function_value( &::SireMM::InterFF::accept );
InterFF_exposer.def(
"accept"
, accept_function_value );
}
{ //::SireMM::InterFF::addFixedAtoms
typedef void ( ::SireMM::InterFF::*addFixedAtoms_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) ;
addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::InterFF::addFixedAtoms );
InterFF_exposer.def(
"addFixedAtoms"
, addFixedAtoms_function_value
, ( bp::arg("molecule"), bp::arg("map")=SireBase::PropertyMap() ) );
}
{ //::SireMM::InterFF::addFixedAtoms
typedef void ( ::SireMM::InterFF::*addFixedAtoms_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) ;
addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::InterFF::addFixedAtoms );
InterFF_exposer.def(
"addFixedAtoms"
, addFixedAtoms_function_value
, ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) );
}
{ //::SireMM::InterFF::addFixedAtoms
typedef void ( ::SireMM::InterFF::*addFixedAtoms_function_type )( ::SireMM::CLJAtoms const & ) ;
addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::InterFF::addFixedAtoms );
InterFF_exposer.def(
"addFixedAtoms"
, addFixedAtoms_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::InterFF::cljFunction
typedef ::SireMM::CLJFunction const & ( ::SireMM::InterFF::*cljFunction_function_type )( ) const;
cljFunction_function_type cljFunction_function_value( &::SireMM::InterFF::cljFunction );
InterFF_exposer.def(
"cljFunction"
, cljFunction_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::InterFF::cljFunction
typedef ::SireMM::CLJFunction const & ( ::SireMM::InterFF::*cljFunction_function_type )( ::QString ) const;
cljFunction_function_type cljFunction_function_value( &::SireMM::InterFF::cljFunction );
InterFF_exposer.def(
"cljFunction"
, cljFunction_function_value
, ( bp::arg("key") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::InterFF::cljFunctionKeys
typedef ::QStringList ( ::SireMM::InterFF::*cljFunctionKeys_function_type )( ) const;
cljFunctionKeys_function_type cljFunctionKeys_function_value( &::SireMM::InterFF::cljFunctionKeys );
InterFF_exposer.def(
"cljFunctionKeys"
, cljFunctionKeys_function_value );
}
{ //::SireMM::InterFF::cljFunctions
typedef ::QHash< QString, SireBase::PropPtr< SireMM::CLJFunction > > ( ::SireMM::InterFF::*cljFunctions_function_type )( ) const;
cljFunctions_function_type cljFunctions_function_value( &::SireMM::InterFF::cljFunctions );
InterFF_exposer.def(
"cljFunctions"
, cljFunctions_function_value );
}
{ //::SireMM::InterFF::components
typedef ::SireMM::MultiCLJComponent const & ( ::SireMM::InterFF::*components_function_type )( ) const;
components_function_type components_function_value( &::SireMM::InterFF::components );
InterFF_exposer.def(
"components"
, components_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::InterFF::containsProperty
typedef bool ( ::SireMM::InterFF::*containsProperty_function_type )( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::InterFF::containsProperty );
InterFF_exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") ) );
}
{ //::SireMM::InterFF::disableGrid
typedef void ( ::SireMM::InterFF::*disableGrid_function_type )( ) ;
disableGrid_function_type disableGrid_function_value( &::SireMM::InterFF::disableGrid );
InterFF_exposer.def(
"disableGrid"
, disableGrid_function_value );
}
{ //::SireMM::InterFF::disableParallelCalculation
typedef void ( ::SireMM::InterFF::*disableParallelCalculation_function_type )( ) ;
disableParallelCalculation_function_type disableParallelCalculation_function_value( &::SireMM::InterFF::disableParallelCalculation );
InterFF_exposer.def(
"disableParallelCalculation"
, disableParallelCalculation_function_value );
}
{ //::SireMM::InterFF::disableReproducibleCalculation
typedef void ( ::SireMM::InterFF::*disableReproducibleCalculation_function_type )( ) ;
disableReproducibleCalculation_function_type disableReproducibleCalculation_function_value( &::SireMM::InterFF::disableReproducibleCalculation );
InterFF_exposer.def(
"disableReproducibleCalculation"
, disableReproducibleCalculation_function_value );
}
{ //::SireMM::InterFF::enableGrid
typedef void ( ::SireMM::InterFF::*enableGrid_function_type )( ) ;
enableGrid_function_type enableGrid_function_value( &::SireMM::InterFF::enableGrid );
InterFF_exposer.def(
"enableGrid"
, enableGrid_function_value );
}
{ //::SireMM::InterFF::enableParallelCalculation
typedef void ( ::SireMM::InterFF::*enableParallelCalculation_function_type )( ) ;
enableParallelCalculation_function_type enableParallelCalculation_function_value( &::SireMM::InterFF::enableParallelCalculation );
InterFF_exposer.def(
"enableParallelCalculation"
, enableParallelCalculation_function_value );
}
{ //::SireMM::InterFF::enableReproducibleCalculation
typedef void ( ::SireMM::InterFF::*enableReproducibleCalculation_function_type )( ) ;
enableReproducibleCalculation_function_type enableReproducibleCalculation_function_value( &::SireMM::InterFF::enableReproducibleCalculation );
InterFF_exposer.def(
"enableReproducibleCalculation"
, enableReproducibleCalculation_function_value );
}
{ //::SireMM::InterFF::fixedOnly
typedef bool ( ::SireMM::InterFF::*fixedOnly_function_type )( ) const;
fixedOnly_function_type fixedOnly_function_value( &::SireMM::InterFF::fixedOnly );
InterFF_exposer.def(
"fixedOnly"
, fixedOnly_function_value );
}
{ //::SireMM::InterFF::grid
typedef ::SireVol::GridInfo ( ::SireMM::InterFF::*grid_function_type )( ) const;
grid_function_type grid_function_value( &::SireMM::InterFF::grid );
InterFF_exposer.def(
"grid"
, grid_function_value );
}
{ //::SireMM::InterFF::gridBuffer
typedef ::SireUnits::Dimension::Length ( ::SireMM::InterFF::*gridBuffer_function_type )( ) const;
gridBuffer_function_type gridBuffer_function_value( &::SireMM::InterFF::gridBuffer );
InterFF_exposer.def(
"gridBuffer"
, gridBuffer_function_value );
}
{ //::SireMM::InterFF::gridSpacing
typedef ::SireUnits::Dimension::Length ( ::SireMM::InterFF::*gridSpacing_function_type )( ) const;
gridSpacing_function_type gridSpacing_function_value( &::SireMM::InterFF::gridSpacing );
InterFF_exposer.def(
"gridSpacing"
, gridSpacing_function_value );
}
{ //::SireMM::InterFF::mustNowRecalculateFromScratch
typedef void ( ::SireMM::InterFF::*mustNowRecalculateFromScratch_function_type )( ) ;
mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::InterFF::mustNowRecalculateFromScratch );
InterFF_exposer.def(
"mustNowRecalculateFromScratch"
, mustNowRecalculateFromScratch_function_value );
}
{ //::SireMM::InterFF::nCLJFunctions
typedef int ( ::SireMM::InterFF::*nCLJFunctions_function_type )( ) const;
nCLJFunctions_function_type nCLJFunctions_function_value( &::SireMM::InterFF::nCLJFunctions );
InterFF_exposer.def(
"nCLJFunctions"
, nCLJFunctions_function_value );
}
{ //::SireMM::InterFF::needsAccepting
typedef bool ( ::SireMM::InterFF::*needsAccepting_function_type )( ) const;
needsAccepting_function_type needsAccepting_function_value( &::SireMM::InterFF::needsAccepting );
InterFF_exposer.def(
"needsAccepting"
, needsAccepting_function_value );
}
InterFF_exposer.def( bp::self != bp::self );
{ //::SireMM::InterFF::operator=
typedef ::SireMM::InterFF & ( ::SireMM::InterFF::*assign_function_type )( ::SireMM::InterFF const & ) ;
assign_function_type assign_function_value( &::SireMM::InterFF::operator= );
InterFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
InterFF_exposer.def( bp::self == bp::self );
{ //::SireMM::InterFF::properties
typedef ::SireBase::Properties const & ( ::SireMM::InterFF::*properties_function_type )( ) const;
properties_function_type properties_function_value( &::SireMM::InterFF::properties );
InterFF_exposer.def(
"properties"
, properties_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::InterFF::property
typedef ::SireBase::Property const & ( ::SireMM::InterFF::*property_function_type )( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::InterFF::property );
InterFF_exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::InterFF::removeAllCLJFunctions
typedef void ( ::SireMM::InterFF::*removeAllCLJFunctions_function_type )( ) ;
removeAllCLJFunctions_function_type removeAllCLJFunctions_function_value( &::SireMM::InterFF::removeAllCLJFunctions );
InterFF_exposer.def(
"removeAllCLJFunctions"
, removeAllCLJFunctions_function_value );
}
{ //::SireMM::InterFF::removeCLJFunctionAt
typedef void ( ::SireMM::InterFF::*removeCLJFunctionAt_function_type )( ::QString ) ;
removeCLJFunctionAt_function_type removeCLJFunctionAt_function_value( &::SireMM::InterFF::removeCLJFunctionAt );
InterFF_exposer.def(
"removeCLJFunctionAt"
, removeCLJFunctionAt_function_value
, ( bp::arg("key") ) );
}
{ //::SireMM::InterFF::setCLJFunction
typedef void ( ::SireMM::InterFF::*setCLJFunction_function_type )( ::SireMM::CLJFunction const & ) ;
setCLJFunction_function_type setCLJFunction_function_value( &::SireMM::InterFF::setCLJFunction );
InterFF_exposer.def(
"setCLJFunction"
, setCLJFunction_function_value
, ( bp::arg("cljfunc") ) );
}
{ //::SireMM::InterFF::setCLJFunction
typedef void ( ::SireMM::InterFF::*setCLJFunction_function_type )( ::QString,::SireMM::CLJFunction const & ) ;
setCLJFunction_function_type setCLJFunction_function_value( &::SireMM::InterFF::setCLJFunction );
InterFF_exposer.def(
"setCLJFunction"
, setCLJFunction_function_value
, ( bp::arg("key"), bp::arg("cljfunc") ) );
}
{ //::SireMM::InterFF::setFixedAtoms
typedef void ( ::SireMM::InterFF::*setFixedAtoms_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) ;
setFixedAtoms_function_type setFixedAtoms_function_value( &::SireMM::InterFF::setFixedAtoms );
InterFF_exposer.def(
"setFixedAtoms"
, setFixedAtoms_function_value
, ( bp::arg("molecule"), bp::arg("map")=SireBase::PropertyMap() ) );
}
{ //::SireMM::InterFF::setFixedAtoms
typedef void ( ::SireMM::InterFF::*setFixedAtoms_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) ;
setFixedAtoms_function_type setFixedAtoms_function_value( &::SireMM::InterFF::setFixedAtoms );
InterFF_exposer.def(
"setFixedAtoms"
, setFixedAtoms_function_value
, ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) );
}
{ //::SireMM::InterFF::setFixedAtoms
typedef void ( ::SireMM::InterFF::*setFixedAtoms_function_type )( ::SireMM::CLJAtoms const & ) ;
setFixedAtoms_function_type setFixedAtoms_function_value( &::SireMM::InterFF::setFixedAtoms );
InterFF_exposer.def(
"setFixedAtoms"
, setFixedAtoms_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::InterFF::setFixedOnly
typedef void ( ::SireMM::InterFF::*setFixedOnly_function_type )( bool ) ;
setFixedOnly_function_type setFixedOnly_function_value( &::SireMM::InterFF::setFixedOnly );
InterFF_exposer.def(
"setFixedOnly"
, setFixedOnly_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::InterFF::setGridBuffer
typedef void ( ::SireMM::InterFF::*setGridBuffer_function_type )( ::SireUnits::Dimension::Length ) ;
setGridBuffer_function_type setGridBuffer_function_value( &::SireMM::InterFF::setGridBuffer );
InterFF_exposer.def(
"setGridBuffer"
, setGridBuffer_function_value
, ( bp::arg("buffer") ) );
}
{ //::SireMM::InterFF::setGridSpacing
typedef void ( ::SireMM::InterFF::*setGridSpacing_function_type )( ::SireUnits::Dimension::Length ) ;
setGridSpacing_function_type setGridSpacing_function_value( &::SireMM::InterFF::setGridSpacing );
InterFF_exposer.def(
"setGridSpacing"
, setGridSpacing_function_value
, ( bp::arg("spacing") ) );
}
{ //::SireMM::InterFF::setProperty
typedef bool ( ::SireMM::InterFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ;
setProperty_function_type setProperty_function_value( &::SireMM::InterFF::setProperty );
InterFF_exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("property") ) );
}
{ //::SireMM::InterFF::setUseGrid
typedef void ( ::SireMM::InterFF::*setUseGrid_function_type )( bool ) ;
setUseGrid_function_type setUseGrid_function_value( &::SireMM::InterFF::setUseGrid );
InterFF_exposer.def(
"setUseGrid"
, setUseGrid_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::InterFF::setUseParallelCalculation
typedef void ( ::SireMM::InterFF::*setUseParallelCalculation_function_type )( bool ) ;
setUseParallelCalculation_function_type setUseParallelCalculation_function_value( &::SireMM::InterFF::setUseParallelCalculation );
InterFF_exposer.def(
"setUseParallelCalculation"
, setUseParallelCalculation_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::InterFF::setUseReproducibleCalculation
typedef void ( ::SireMM::InterFF::*setUseReproducibleCalculation_function_type )( bool ) ;
setUseReproducibleCalculation_function_type setUseReproducibleCalculation_function_value( &::SireMM::InterFF::setUseReproducibleCalculation );
InterFF_exposer.def(
"setUseReproducibleCalculation"
, setUseReproducibleCalculation_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::InterFF::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::InterFF::typeName );
InterFF_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::InterFF::usesGrid
typedef bool ( ::SireMM::InterFF::*usesGrid_function_type )( ) const;
usesGrid_function_type usesGrid_function_value( &::SireMM::InterFF::usesGrid );
InterFF_exposer.def(
"usesGrid"
, usesGrid_function_value );
}
{ //::SireMM::InterFF::usesParallelCalculation
typedef bool ( ::SireMM::InterFF::*usesParallelCalculation_function_type )( ) const;
usesParallelCalculation_function_type usesParallelCalculation_function_value( &::SireMM::InterFF::usesParallelCalculation );
InterFF_exposer.def(
"usesParallelCalculation"
, usesParallelCalculation_function_value );
}
{ //::SireMM::InterFF::usesReproducibleCalculation
typedef bool ( ::SireMM::InterFF::*usesReproducibleCalculation_function_type )( ) const;
usesReproducibleCalculation_function_type usesReproducibleCalculation_function_value( &::SireMM::InterFF::usesReproducibleCalculation );
InterFF_exposer.def(
"usesReproducibleCalculation"
, usesReproducibleCalculation_function_value );
}
{ //::SireMM::InterFF::what
typedef char const * ( ::SireMM::InterFF::*what_function_type )( ) const;
what_function_type what_function_value( &::SireMM::InterFF::what );
InterFF_exposer.def(
"what"
, what_function_value );
}
InterFF_exposer.staticmethod( "typeName" );
InterFF_exposer.def( "__copy__", &__copy__);
InterFF_exposer.def( "__deepcopy__", &__copy__);
InterFF_exposer.def( "clone", &__copy__);
InterFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::InterFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
InterFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::InterFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
InterFF_exposer.def( "__str__", &__str__< ::SireMM::InterFF > );
InterFF_exposer.def( "__repr__", &__str__< ::SireMM::InterFF > );
InterFF_exposer.def( "__len__", &__len_count< ::SireMM::InterFF > );
}
}
