void register_DihedralRestraint_class(){
{ //::SireMM::DihedralRestraint
typedef bp::class_< SireMM::DihedralRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > DihedralRestraint_exposer_t;
DihedralRestraint_exposer_t DihedralRestraint_exposer = DihedralRestraint_exposer_t( "DihedralRestraint", "This is a restraint that operates on the dihedral angle between\nfour SireMM::Point objects (e.g. four atoms in a molecule)\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") );
bp::scope DihedralRestraint_scope( DihedralRestraint_exposer );
DihedralRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint") ), "Construct a restraint that acts on the angle within the\nthree points point0, point1 and point2 (theta == a(012)),\nrestraining the angle within these points using the expression\nrestraint") );
DihedralRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, SireCAS::Values const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint"), bp::arg("values") ), "Construct a restraint that acts on the angle within the\nthree points point0, point1 and point2 (theta == a(012)),\nrestraining the angle within these points using the expression\nrestraint") );
DihedralRestraint_exposer.def( bp::init< SireMM::DihedralRestraint const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireMM::DihedralRestraint::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::DihedralRestraint::*builtinSymbols_function_type)( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::DihedralRestraint::builtinSymbols );
DihedralRestraint_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value
, "Return the built-in symbols for this restraint" );
}
{ //::SireMM::DihedralRestraint::builtinValues
typedef ::SireCAS::Values ( ::SireMM::DihedralRestraint::*builtinValues_function_type)( ) const;
builtinValues_function_type builtinValues_function_value( &::SireMM::DihedralRestraint::builtinValues );
DihedralRestraint_exposer.def(
"builtinValues"
, builtinValues_function_value
, "Return the values of the built-in symbols of this restraint" );
}
{ //::SireMM::DihedralRestraint::contains
typedef bool ( ::SireMM::DihedralRestraint::*contains_function_type)( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMM::DihedralRestraint::contains );
DihedralRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") )
, "Return whether or not this restraint affects the molecule\nwith number molnum" );
}
{ //::SireMM::DihedralRestraint::contains
typedef bool ( ::SireMM::DihedralRestraint::*contains_function_type)( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireMM::DihedralRestraint::contains );
DihedralRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") )
, "Return whether or not this restraint affects the molecule\nwith ID molid" );
}
{ //::SireMM::DihedralRestraint::differentialRestraintFunction
typedef ::SireCAS::Expression const & ( ::SireMM::DihedralRestraint::*differentialRestraintFunction_function_type)( ) const;
differentialRestraintFunction_function_type differentialRestraintFunction_function_value( &::SireMM::DihedralRestraint::differentialRestraintFunction );
DihedralRestraint_exposer.def(
"differentialRestraintFunction"
, differentialRestraintFunction_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "Return the function used to calculate the restraint force" );
}
{ //::SireMM::DihedralRestraint::differentiate
typedef ::SireMM::RestraintPtr ( ::SireMM::DihedralRestraint::*differentiate_function_type)( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::DihedralRestraint::differentiate );
DihedralRestraint_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") )
, "Return the differential of this restraint with respect to\nthe symbol symbol\nThrow: SireCAS::unavailable_differential\n" );
}
{ //::SireMM::DihedralRestraint::force
typedef void ( ::SireMM::DihedralRestraint::*force_function_type)( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DihedralRestraint::force );
DihedralRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "Calculate the force acting on the molecule in the forcetable forcetable\ncaused by this restraint, and add it on to the forcetable scaled by\nscale_force" );
}
{ //::SireMM::DihedralRestraint::force
typedef void ( ::SireMM::DihedralRestraint::*force_function_type)( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DihedralRestraint::force );
DihedralRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "Calculate the force acting on the molecules in the forcetable forcetable\ncaused by this restraint, and add it on to the forcetable scaled by\nscale_force" );
}
{ //::SireMM::DihedralRestraint::halfHarmonic
typedef ::SireMM::DihedralRestraint ( *halfHarmonic_function_type )( ::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireUnits::Dimension::Angle const &,::SireMM::HarmonicAngleForceConstant const & );
halfHarmonic_function_type halfHarmonic_function_value( &::SireMM::DihedralRestraint::halfHarmonic );
DihedralRestraint_exposer.def(
"halfHarmonic"
, halfHarmonic_function_value
, ( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("angle"), bp::arg("force_constant") )
, "Return a distance restraint that applied a half-harmonic potential\nbetween the points point0 and point1 above a distance distance\nusing a force constant force_constant" );
}
{ //::SireMM::DihedralRestraint::harmonic
typedef ::SireMM::DihedralRestraint ( *harmonic_function_type )( ::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireMM::HarmonicAngleForceConstant const & );
harmonic_function_type harmonic_function_value( &::SireMM::DihedralRestraint::harmonic );
DihedralRestraint_exposer.def(
"harmonic"
, harmonic_function_value
, ( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("force_constant") )
, "Return a distance restraint that applies a harmonic potential between\nthe points point0 and point1 using a force constant force_constant" );
}
{ //::SireMM::DihedralRestraint::molecules
typedef ::SireMol::Molecules ( ::SireMM::DihedralRestraint::*molecules_function_type)( ) const;
molecules_function_type molecules_function_value( &::SireMM::DihedralRestraint::molecules );
DihedralRestraint_exposer.def(
"molecules"
, molecules_function_value
, "Return the molecules used in this restraint" );
}
{ //::SireMM::DihedralRestraint::nPoints
typedef int ( ::SireMM::DihedralRestraint::*nPoints_function_type)( ) const;
nPoints_function_type nPoints_function_value( &::SireMM::DihedralRestraint::nPoints );
DihedralRestraint_exposer.def(
"nPoints"
, nPoints_function_value
, "This restraint involves four points" );
}
DihedralRestraint_exposer.def( bp::self != bp::self );
{ //::SireMM::DihedralRestraint::operator=
typedef ::SireMM::DihedralRestraint & ( ::SireMM::DihedralRestraint::*assign_function_type)( ::SireMM::DihedralRestraint const & ) ;
assign_function_type assign_function_value( &::SireMM::DihedralRestraint::operator= );
DihedralRestraint_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
DihedralRestraint_exposer.def( bp::self == bp::self );
{ //::SireMM::DihedralRestraint::phi
typedef ::SireCAS::Symbol const & ( *phi_function_type )( );
phi_function_type phi_function_value( &::SireMM::DihedralRestraint::phi );
DihedralRestraint_exposer.def(
"phi"
, phi_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the dihedral angle between the points (phi)" );
}
{ //::SireMM::DihedralRestraint::point
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point_function_type)( int ) const;
point_function_type point_function_value( &::SireMM::DihedralRestraint::point );
DihedralRestraint_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the ith point" );
}
{ //::SireMM::DihedralRestraint::point0
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point0_function_type)( ) const;
point0_function_type point0_function_value( &::SireMM::DihedralRestraint::point0 );
DihedralRestraint_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the first point" );
}
{ //::SireMM::DihedralRestraint::point1
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point1_function_type)( ) const;
point1_function_type point1_function_value( &::SireMM::DihedralRestraint::point1 );
DihedralRestraint_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the second point" );
}
{ //::SireMM::DihedralRestraint::point2
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point2_function_type)( ) const;
point2_function_type point2_function_value( &::SireMM::DihedralRestraint::point2 );
DihedralRestraint_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the third point" );
}
{ //::SireMM::DihedralRestraint::point3
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point3_function_type)( ) const;
point3_function_type point3_function_value( &::SireMM::DihedralRestraint::point3 );
DihedralRestraint_exposer.def(
"point3"
, point3_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the fourth point" );
}
{ //::SireMM::DihedralRestraint::setSpace
typedef void ( ::SireMM::DihedralRestraint::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::DihedralRestraint::setSpace );
DihedralRestraint_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") )
, "Set the space used to evaluate the energy of this restraint\nThrow: SireVol::incompatible_space\n" );
}
{ //::SireMM::DihedralRestraint::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::DihedralRestraint::typeName );
DihedralRestraint_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireMM::DihedralRestraint::update
typedef void ( ::SireMM::DihedralRestraint::*update_function_type)( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMM::DihedralRestraint::update );
DihedralRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") )
, "Update the points of this restraint using new molecule data from moldata\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\nThrow: SireError::incompatible_error\n" );
}
{ //::SireMM::DihedralRestraint::update
typedef void ( ::SireMM::DihedralRestraint::*update_function_type)( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMM::DihedralRestraint::update );
DihedralRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") )
, "Update the points of this restraint using new molecule data from molecules\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\nThrow: SireError::incompatible_error\n" );
}
{ //::SireMM::DihedralRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DihedralRestraint::*usesMoleculesIn_function_type)( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DihedralRestraint::usesMoleculesIn );
DihedralRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") )
, "Return whether or not this restraint involves any of the molecules\nthat are in the forcetable forcetable" );
}
{ //::SireMM::DihedralRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DihedralRestraint::*usesMoleculesIn_function_type)( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DihedralRestraint::usesMoleculesIn );
DihedralRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") )
, "Return whether or not this restraint involves any of the molecules\nin molecules" );
}
DihedralRestraint_exposer.staticmethod( "halfHarmonic" );
DihedralRestraint_exposer.staticmethod( "harmonic" );
DihedralRestraint_exposer.staticmethod( "phi" );
DihedralRestraint_exposer.staticmethod( "typeName" );
DihedralRestraint_exposer.def( "__copy__", &__copy__);
DihedralRestraint_exposer.def( "__deepcopy__", &__copy__);
DihedralRestraint_exposer.def( "clone", &__copy__);
DihedralRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::DihedralRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DihedralRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::DihedralRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DihedralRestraint_exposer.def( "__str__", &__str__< ::SireMM::DihedralRestraint > );
DihedralRestraint_exposer.def( "__repr__", &__str__< ::SireMM::DihedralRestraint > );
}
}
void register_QMFF_class(){
{ //::Squire::QMFF
typedef bp::class_< Squire::QMFF, bp::bases< SireFF::FF3D, SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > QMFF_exposer_t;
QMFF_exposer_t QMFF_exposer = QMFF_exposer_t( "QMFF", bp::init< >() );
bp::scope QMFF_scope( QMFF_exposer );
QMFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) );
QMFF_exposer.def( bp::init< Squire::QMFF const & >(( bp::arg("other") )) );
{ //::Squire::QMFF::components
typedef ::Squire::QMComponent const & ( ::Squire::QMFF::*components_function_type )( ) const;
components_function_type components_function_value( &::Squire::QMFF::components );
QMFF_exposer.def(
"components"
, components_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::Squire::QMFF::containsProperty
typedef bool ( ::Squire::QMFF::*containsProperty_function_type )( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::Squire::QMFF::containsProperty );
QMFF_exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") ) );
}
{ //::Squire::QMFF::energy
typedef void ( ::Squire::QMFF::*energy_function_type )( ::SireFF::EnergyTable &,double ) ;
energy_function_type energy_function_value( &::Squire::QMFF::energy );
QMFF_exposer.def(
"energy"
, energy_function_value
, ( bp::arg("energytable"), bp::arg("scale_energy")=1 ) );
}
{ //::Squire::QMFF::energy
typedef void ( ::Squire::QMFF::*energy_function_type )( ::SireFF::EnergyTable &,::SireCAS::Symbol const &,double ) ;
energy_function_type energy_function_value( &::Squire::QMFF::energy );
QMFF_exposer.def(
"energy"
, energy_function_value
, ( bp::arg("energytable"), bp::arg("symbol"), bp::arg("scale_energy")=1 ) );
}
{ //::Squire::QMFF::energyCommandFile
typedef ::QString ( ::Squire::QMFF::*energyCommandFile_function_type )( ) const;
energyCommandFile_function_type energyCommandFile_function_value( &::Squire::QMFF::energyCommandFile );
QMFF_exposer.def(
"energyCommandFile"
, energyCommandFile_function_value );
}
{ //::Squire::QMFF::field
typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,double ) ;
field_function_type field_function_value( &::Squire::QMFF::field );
QMFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) );
}
{ //::Squire::QMFF::field
typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ;
field_function_type field_function_value( &::Squire::QMFF::field );
QMFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) );
}
{ //::Squire::QMFF::field
typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::Squire::QMFF::field );
QMFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::Squire::QMFF::field
typedef void ( ::Squire::QMFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::Squire::QMFF::field );
QMFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::Squire::QMFF::fieldCommandFile
typedef ::QString ( ::Squire::QMFF::*fieldCommandFile_function_type )( ::SireFF::FieldTable const & ) const;
fieldCommandFile_function_type fieldCommandFile_function_value( &::Squire::QMFF::fieldCommandFile );
QMFF_exposer.def(
"fieldCommandFile"
, fieldCommandFile_function_value
, ( bp::arg("fieldtable") ) );
}
{ //::Squire::QMFF::fieldCommandFile
typedef ::QString ( ::Squire::QMFF::*fieldCommandFile_function_type )( ::SireFF::FieldTable const &,::SireFF::Probe const & ) const;
fieldCommandFile_function_type fieldCommandFile_function_value( &::Squire::QMFF::fieldCommandFile );
QMFF_exposer.def(
"fieldCommandFile"
, fieldCommandFile_function_value
, ( bp::arg("fieldtable"), bp::arg("probe") ) );
}
{ //::Squire::QMFF::force
typedef void ( ::Squire::QMFF::*force_function_type )( ::SireFF::ForceTable &,double ) ;
force_function_type force_function_value( &::Squire::QMFF::force );
QMFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::Squire::QMFF::force
typedef void ( ::Squire::QMFF::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ;
force_function_type force_function_value( &::Squire::QMFF::force );
QMFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) );
}
{ //::Squire::QMFF::forceCommandFile
typedef ::QString ( ::Squire::QMFF::*forceCommandFile_function_type )( ::SireFF::ForceTable const & ) const;
forceCommandFile_function_type forceCommandFile_function_value( &::Squire::QMFF::forceCommandFile );
QMFF_exposer.def(
"forceCommandFile"
, forceCommandFile_function_value
, ( bp::arg("forcetable") ) );
}
{ //::Squire::QMFF::mustNowRecalculateFromScratch
typedef void ( ::Squire::QMFF::*mustNowRecalculateFromScratch_function_type )( ) ;
mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::Squire::QMFF::mustNowRecalculateFromScratch );
QMFF_exposer.def(
"mustNowRecalculateFromScratch"
, mustNowRecalculateFromScratch_function_value );
}
QMFF_exposer.def( bp::self != bp::self );
{ //::Squire::QMFF::operator=
typedef ::Squire::QMFF & ( ::Squire::QMFF::*assign_function_type )( ::Squire::QMFF const & ) ;
assign_function_type assign_function_value( &::Squire::QMFF::operator= );
QMFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
QMFF_exposer.def( bp::self == bp::self );
{ //::Squire::QMFF::parameters
typedef ::SireFF::detail::AtomicParameters3D< SireMol::Element > ( ::Squire::QMFF::*parameters_function_type )( ) const;
parameters_function_type parameters_function_value( &::Squire::QMFF::parameters );
QMFF_exposer.def(
"parameters"
, parameters_function_value );
}
{ //::Squire::QMFF::potential
typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,double ) ;
potential_function_type potential_function_value( &::Squire::QMFF::potential );
QMFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) );
}
{ //::Squire::QMFF::potential
typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ;
potential_function_type potential_function_value( &::Squire::QMFF::potential );
QMFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) );
}
{ //::Squire::QMFF::potential
typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::Squire::QMFF::potential );
QMFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::Squire::QMFF::potential
typedef void ( ::Squire::QMFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::Squire::QMFF::potential );
QMFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::Squire::QMFF::potentialCommandFile
typedef ::QString ( ::Squire::QMFF::*potentialCommandFile_function_type )( ::SireFF::PotentialTable const & ) const;
potentialCommandFile_function_type potentialCommandFile_function_value( &::Squire::QMFF::potentialCommandFile );
QMFF_exposer.def(
"potentialCommandFile"
, potentialCommandFile_function_value
, ( bp::arg("pottable") ) );
}
{ //::Squire::QMFF::potentialCommandFile
typedef ::QString ( ::Squire::QMFF::*potentialCommandFile_function_type )( ::SireFF::PotentialTable const &,::SireFF::Probe const & ) const;
potentialCommandFile_function_type potentialCommandFile_function_value( &::Squire::QMFF::potentialCommandFile );
QMFF_exposer.def(
"potentialCommandFile"
, potentialCommandFile_function_value
, ( bp::arg("pottable"), bp::arg("probe") ) );
}
{ //::Squire::QMFF::properties
typedef ::SireBase::Properties const & ( ::Squire::QMFF::*properties_function_type )( ) const;
properties_function_type properties_function_value( &::Squire::QMFF::properties );
QMFF_exposer.def(
"properties"
, properties_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::Squire::QMFF::property
typedef ::SireBase::Property const & ( ::Squire::QMFF::*property_function_type )( ::QString const & ) const;
property_function_type property_function_value( &::Squire::QMFF::property );
QMFF_exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::Squire::QMFF::quantumProgram
typedef ::Squire::QMProgram const & ( ::Squire::QMFF::*quantumProgram_function_type )( ) const;
quantumProgram_function_type quantumProgram_function_value( &::Squire::QMFF::quantumProgram );
QMFF_exposer.def(
"quantumProgram"
, quantumProgram_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::Squire::QMFF::setProperty
typedef bool ( ::Squire::QMFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ;
setProperty_function_type setProperty_function_value( &::Squire::QMFF::setProperty );
QMFF_exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("property") ) );
}
{ //::Squire::QMFF::setQuantumProgram
typedef bool ( ::Squire::QMFF::*setQuantumProgram_function_type )( ::Squire::QMProgram const & ) ;
setQuantumProgram_function_type setQuantumProgram_function_value( &::Squire::QMFF::setQuantumProgram );
QMFF_exposer.def(
"setQuantumProgram"
, setQuantumProgram_function_value
, ( bp::arg("qmprog") ) );
}
{ //::Squire::QMFF::setSpace
typedef bool ( ::Squire::QMFF::*setSpace_function_type )( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::Squire::QMFF::setSpace );
QMFF_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") ) );
}
{ //::Squire::QMFF::setZeroEnergy
typedef bool ( ::Squire::QMFF::*setZeroEnergy_function_type )( ::SireUnits::Dimension::MolarEnergy ) ;
setZeroEnergy_function_type setZeroEnergy_function_value( &::Squire::QMFF::setZeroEnergy );
QMFF_exposer.def(
"setZeroEnergy"
, setZeroEnergy_function_value
, ( bp::arg("zero_energy") ) );
}
{ //::Squire::QMFF::space
typedef ::SireVol::Space const & ( ::Squire::QMFF::*space_function_type )( ) const;
space_function_type space_function_value( &::Squire::QMFF::space );
QMFF_exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::Squire::QMFF::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::Squire::QMFF::typeName );
QMFF_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::Squire::QMFF::what
typedef char const * ( ::Squire::QMFF::*what_function_type )( ) const;
what_function_type what_function_value( &::Squire::QMFF::what );
QMFF_exposer.def(
"what"
, what_function_value );
}
{ //::Squire::QMFF::zeroEnergy
typedef ::SireUnits::Dimension::MolarEnergy ( ::Squire::QMFF::*zeroEnergy_function_type )( ) const;
zeroEnergy_function_type zeroEnergy_function_value( &::Squire::QMFF::zeroEnergy );
QMFF_exposer.def(
"zeroEnergy"
, zeroEnergy_function_value );
}
QMFF_exposer.staticmethod( "typeName" );
QMFF_exposer.def( "__copy__", &__copy__);
QMFF_exposer.def( "__deepcopy__", &__copy__);
QMFF_exposer.def( "clone", &__copy__);
QMFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMFF_exposer.def( "__str__", &__str__< ::Squire::QMFF > );
QMFF_exposer.def( "__repr__", &__str__< ::Squire::QMFF > );
QMFF_exposer.def( "__len__", &__len_count< ::Squire::QMFF > );
}
}
void register_RestraintFF_class(){
{ //::SireMM::RestraintFF
typedef bp::class_< SireMM::RestraintFF, bp::bases< SireFF::FF3D, SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > RestraintFF_exposer_t;
RestraintFF_exposer_t RestraintFF_exposer = RestraintFF_exposer_t( "RestraintFF", bp::init< >() );
bp::scope RestraintFF_scope( RestraintFF_exposer );
RestraintFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) );
RestraintFF_exposer.def( bp::init< SireMM::RestraintFF const & >(( bp::arg("other") )) );
{ //::SireMM::RestraintFF::add
typedef bool ( ::SireMM::RestraintFF::*add_function_type )( ::SireMM::Restraint3D const & ) ;
add_function_type add_function_value( &::SireMM::RestraintFF::add );
RestraintFF_exposer.def(
"add"
, add_function_value
, ( bp::arg("restraint") ) );
}
{ //::SireMM::RestraintFF::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*builtinSymbols_function_type )( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::RestraintFF::builtinSymbols );
RestraintFF_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value );
}
{ //::SireMM::RestraintFF::components
typedef ::SireMM::RestraintComponent const & ( ::SireMM::RestraintFF::*components_function_type )( ) const;
components_function_type components_function_value( &::SireMM::RestraintFF::components );
RestraintFF_exposer.def(
"components"
, components_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::RestraintFF::contains
typedef bool ( ::SireMM::RestraintFF::*contains_function_type )( ::SireMM::Restraint3D const & ) const;
contains_function_type contains_function_value( &::SireMM::RestraintFF::contains );
RestraintFF_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("restraint") ) );
}
{ //::SireMM::RestraintFF::containsProperty
typedef bool ( ::SireMM::RestraintFF::*containsProperty_function_type )( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::RestraintFF::containsProperty );
RestraintFF_exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") ) );
}
{ //::SireMM::RestraintFF::differentiate
typedef ::SireMM::RestraintFF ( ::SireMM::RestraintFF::*differentiate_function_type )( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::RestraintFF::differentiate );
RestraintFF_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::RestraintFF::field
typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,double ) ;
field_function_type field_function_value( &::SireMM::RestraintFF::field );
RestraintFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) );
}
{ //::SireMM::RestraintFF::field
typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ;
field_function_type field_function_value( &::SireMM::RestraintFF::field );
RestraintFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) );
}
{ //::SireMM::RestraintFF::field
typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::SireMM::RestraintFF::field );
RestraintFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::SireMM::RestraintFF::field
typedef void ( ::SireMM::RestraintFF::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::SireMM::RestraintFF::field );
RestraintFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::SireMM::RestraintFF::force
typedef void ( ::SireMM::RestraintFF::*force_function_type )( ::SireFF::ForceTable &,double ) ;
force_function_type force_function_value( &::SireMM::RestraintFF::force );
RestraintFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::RestraintFF::force
typedef void ( ::SireMM::RestraintFF::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ;
force_function_type force_function_value( &::SireMM::RestraintFF::force );
RestraintFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::RestraintFF::getValue
typedef double ( ::SireMM::RestraintFF::*getValue_function_type )( ::SireCAS::Symbol const & ) const;
getValue_function_type getValue_function_value( &::SireMM::RestraintFF::getValue );
RestraintFF_exposer.def(
"getValue"
, getValue_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::RestraintFF::hasValue
typedef bool ( ::SireMM::RestraintFF::*hasValue_function_type )( ::SireCAS::Symbol const & ) const;
hasValue_function_type hasValue_function_value( &::SireMM::RestraintFF::hasValue );
RestraintFF_exposer.def(
"hasValue"
, hasValue_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::RestraintFF::mustNowRecalculateFromScratch
typedef void ( ::SireMM::RestraintFF::*mustNowRecalculateFromScratch_function_type )( ) ;
mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::RestraintFF::mustNowRecalculateFromScratch );
RestraintFF_exposer.def(
"mustNowRecalculateFromScratch"
, mustNowRecalculateFromScratch_function_value );
}
{ //::SireMM::RestraintFF::nRestraints
typedef int ( ::SireMM::RestraintFF::*nRestraints_function_type )( ) const;
nRestraints_function_type nRestraints_function_value( &::SireMM::RestraintFF::nRestraints );
RestraintFF_exposer.def(
"nRestraints"
, nRestraints_function_value );
}
RestraintFF_exposer.def( bp::self != bp::self );
{ //::SireMM::RestraintFF::operator=
typedef ::SireMM::RestraintFF & ( ::SireMM::RestraintFF::*assign_function_type )( ::SireMM::RestraintFF const & ) ;
assign_function_type assign_function_value( &::SireMM::RestraintFF::operator= );
RestraintFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
RestraintFF_exposer.def( bp::self == bp::self );
{ //::SireMM::RestraintFF::potential
typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,double ) ;
potential_function_type potential_function_value( &::SireMM::RestraintFF::potential );
RestraintFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) );
}
{ //::SireMM::RestraintFF::potential
typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ;
potential_function_type potential_function_value( &::SireMM::RestraintFF::potential );
RestraintFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) );
}
{ //::SireMM::RestraintFF::potential
typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::SireMM::RestraintFF::potential );
RestraintFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::SireMM::RestraintFF::potential
typedef void ( ::SireMM::RestraintFF::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::SireMM::RestraintFF::potential );
RestraintFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::SireMM::RestraintFF::properties
typedef ::SireBase::Properties const & ( ::SireMM::RestraintFF::*properties_function_type )( ) const;
properties_function_type properties_function_value( &::SireMM::RestraintFF::properties );
RestraintFF_exposer.def(
"properties"
, properties_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::RestraintFF::property
typedef ::SireBase::Property const & ( ::SireMM::RestraintFF::*property_function_type )( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::RestraintFF::property );
RestraintFF_exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::RestraintFF::remove
typedef bool ( ::SireMM::RestraintFF::*remove_function_type )( ::SireMM::Restraint3D const & ) ;
remove_function_type remove_function_value( &::SireMM::RestraintFF::remove );
RestraintFF_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("restraint") ) );
}
{ //::SireMM::RestraintFF::removeRestraintAt
typedef void ( ::SireMM::RestraintFF::*removeRestraintAt_function_type )( int ) ;
removeRestraintAt_function_type removeRestraintAt_function_value( &::SireMM::RestraintFF::removeRestraintAt );
RestraintFF_exposer.def(
"removeRestraintAt"
, removeRestraintAt_function_value
, ( bp::arg("i") ) );
}
{ //::SireMM::RestraintFF::restraintAt
typedef ::SireMM::Restraint3D const & ( ::SireMM::RestraintFF::*restraintAt_function_type )( int ) const;
restraintAt_function_type restraintAt_function_value( &::SireMM::RestraintFF::restraintAt );
RestraintFF_exposer.def(
"restraintAt"
, restraintAt_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::RestraintFF::restraints
typedef ::QVector< SireBase::PropPtr< SireMM::Restraint3D > > ( ::SireMM::RestraintFF::*restraints_function_type )( ) const;
restraints_function_type restraints_function_value( &::SireMM::RestraintFF::restraints );
RestraintFF_exposer.def(
"restraints"
, restraints_function_value );
}
{ //::SireMM::RestraintFF::setProperty
typedef bool ( ::SireMM::RestraintFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ;
setProperty_function_type setProperty_function_value( &::SireMM::RestraintFF::setProperty );
RestraintFF_exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("property") ) );
}
{ //::SireMM::RestraintFF::setSpace
typedef bool ( ::SireMM::RestraintFF::*setSpace_function_type )( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::RestraintFF::setSpace );
RestraintFF_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") ) );
}
{ //::SireMM::RestraintFF::setValue
typedef bool ( ::SireMM::RestraintFF::*setValue_function_type )( ::SireCAS::Symbol const &,double ) ;
setValue_function_type setValue_function_value( &::SireMM::RestraintFF::setValue );
RestraintFF_exposer.def(
"setValue"
, setValue_function_value
, ( bp::arg("symbol"), bp::arg("value") ) );
}
{ //::SireMM::RestraintFF::space
typedef ::SireVol::Space const & ( ::SireMM::RestraintFF::*space_function_type )( ) const;
space_function_type space_function_value( &::SireMM::RestraintFF::space );
RestraintFF_exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::RestraintFF::symbols
typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*symbols_function_type )( ) const;
symbols_function_type symbols_function_value( &::SireMM::RestraintFF::symbols );
RestraintFF_exposer.def(
"symbols"
, symbols_function_value );
}
{ //::SireMM::RestraintFF::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::RestraintFF::typeName );
RestraintFF_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::RestraintFF::userSymbols
typedef ::SireCAS::Symbols ( ::SireMM::RestraintFF::*userSymbols_function_type )( ) const;
userSymbols_function_type userSymbols_function_value( &::SireMM::RestraintFF::userSymbols );
RestraintFF_exposer.def(
"userSymbols"
, userSymbols_function_value );
}
{ //::SireMM::RestraintFF::userValues
typedef ::SireCAS::Values ( ::SireMM::RestraintFF::*userValues_function_type )( ) const;
userValues_function_type userValues_function_value( &::SireMM::RestraintFF::userValues );
RestraintFF_exposer.def(
"userValues"
, userValues_function_value );
}
RestraintFF_exposer.staticmethod( "typeName" );
RestraintFF_exposer.def( "__copy__", &__copy__);
RestraintFF_exposer.def( "__deepcopy__", &__copy__);
RestraintFF_exposer.def( "clone", &__copy__);
RestraintFF_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::RestraintFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
RestraintFF_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::RestraintFF >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
RestraintFF_exposer.def( "__str__", &__str__< ::SireMM::RestraintFF > );
RestraintFF_exposer.def( "__repr__", &__str__< ::SireMM::RestraintFF > );
RestraintFF_exposer.def( "__len__", &__len_count< ::SireMM::RestraintFF > );
}
}
void register_CLJPotentialInterface_IntraSoftCLJPotential__class(){
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >
typedef bp::class_< SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >, boost::noncopyable > CLJPotentialInterface_IntraSoftCLJPotential__exposer_t;
CLJPotentialInterface_IntraSoftCLJPotential__exposer_t CLJPotentialInterface_IntraSoftCLJPotential__exposer = CLJPotentialInterface_IntraSoftCLJPotential__exposer_t( "CLJPotentialInterface_IntraSoftCLJPotential_", "", bp::no_init );
bp::scope CLJPotentialInterface_IntraSoftCLJPotential__scope( CLJPotentialInterface_IntraSoftCLJPotential__exposer );
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::combiningRules
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::QString const & ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*combiningRules_function_type)( ) const;
combiningRules_function_type combiningRules_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::combiningRules );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"combiningRules"
, combiningRules_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::containsProperty
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*containsProperty_function_type)( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::containsProperty );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::parameters
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::SireMM::IntraSoftCLJPotential::ParameterNames ( *parameters_function_type )( );
parameters_function_type parameters_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::parameters );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"parameters"
, parameters_function_value
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::properties
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::SireBase::Properties const & ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*properties_function_type)( ) const;
properties_function_type properties_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::properties );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"properties"
, properties_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::property
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::SireBase::Property const & ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*property_function_type)( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::property );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::reactionFieldDielectric
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef double ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*reactionFieldDielectric_function_type)( ) const;
reactionFieldDielectric_function_type reactionFieldDielectric_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::reactionFieldDielectric );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"reactionFieldDielectric"
, reactionFieldDielectric_function_value
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setCombiningRules
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setCombiningRules_function_type)( ::QString const & ) ;
setCombiningRules_function_type setCombiningRules_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setCombiningRules );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setCombiningRules"
, setCombiningRules_function_value
, ( bp::arg("combiningrules") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setProperty
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setProperty_function_type)( ::QString const &,::SireBase::Property const & ) ;
setProperty_function_type setProperty_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setProperty );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("value") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setReactionFieldDielectric
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setReactionFieldDielectric_function_type)( double ) ;
setReactionFieldDielectric_function_type setReactionFieldDielectric_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setReactionFieldDielectric );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setReactionFieldDielectric"
, setReactionFieldDielectric_function_value
, ( bp::arg("dielectric") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setShiftElectrostatics
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setShiftElectrostatics_function_type)( bool ) ;
setShiftElectrostatics_function_type setShiftElectrostatics_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setShiftElectrostatics );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setShiftElectrostatics"
, setShiftElectrostatics_function_value
, ( bp::arg("switchelectro") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setSpace
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setSpace );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("new_space") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setSwitchingFunction
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setSwitchingFunction_function_type)( ::SireMM::SwitchingFunction const & ) ;
setSwitchingFunction_function_type setSwitchingFunction_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setSwitchingFunction );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setSwitchingFunction"
, setSwitchingFunction_function_value
, ( bp::arg("new_switchfunc") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseAtomisticCutoff
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setUseAtomisticCutoff_function_type)( bool ) ;
setUseAtomisticCutoff_function_type setUseAtomisticCutoff_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseAtomisticCutoff );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setUseAtomisticCutoff"
, setUseAtomisticCutoff_function_value
, ( bp::arg("switchatomistic") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseGroupCutoff
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setUseGroupCutoff_function_type)( bool ) ;
setUseGroupCutoff_function_type setUseGroupCutoff_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseGroupCutoff );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setUseGroupCutoff"
, setUseGroupCutoff_function_value
, ( bp::arg("switchgroup") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseReactionField
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*setUseReactionField_function_type)( bool ) ;
setUseReactionField_function_type setUseReactionField_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::setUseReactionField );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"setUseReactionField"
, setUseReactionField_function_value
, ( bp::arg("switchrf") )
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::shiftElectrostatics
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*shiftElectrostatics_function_type)( ) const;
shiftElectrostatics_function_type shiftElectrostatics_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::shiftElectrostatics );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"shiftElectrostatics"
, shiftElectrostatics_function_value
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::space
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::SireVol::Space const & ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*space_function_type)( ) const;
space_function_type space_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::space );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::switchingFunction
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef ::SireMM::SwitchingFunction const & ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*switchingFunction_function_type)( ) const;
switchingFunction_function_type switchingFunction_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::switchingFunction );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"switchingFunction"
, switchingFunction_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useAtomisticCutoff
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*useAtomisticCutoff_function_type)( ) const;
useAtomisticCutoff_function_type useAtomisticCutoff_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useAtomisticCutoff );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"useAtomisticCutoff"
, useAtomisticCutoff_function_value
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useGroupCutoff
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*useGroupCutoff_function_type)( ) const;
useGroupCutoff_function_type useGroupCutoff_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useGroupCutoff );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"useGroupCutoff"
, useGroupCutoff_function_value
, "" );
}
{ //::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useReactionField
typedef SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential > exported_class_t;
typedef bool ( ::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::*useReactionField_function_type)( ) const;
useReactionField_function_type useReactionField_function_value( &::SireMM::CLJPotentialInterface< SireMM::IntraSoftCLJPotential >::useReactionField );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def(
"useReactionField"
, useReactionField_function_value
, "" );
}
CLJPotentialInterface_IntraSoftCLJPotential__exposer.staticmethod( "parameters" );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJPotentialInterface<SireMM::IntraSoftCLJPotential> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJPotentialInterface<SireMM::IntraSoftCLJPotential> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def( "__str__", &pvt_get_name);
CLJPotentialInterface_IntraSoftCLJPotential__exposer.def( "__repr__", &pvt_get_name);
}
}
void register_CoulombPotentialInterface_InterCoulombPotential__class(){
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >
typedef bp::class_< SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >, boost::noncopyable > CoulombPotentialInterface_InterCoulombPotential__exposer_t;
CoulombPotentialInterface_InterCoulombPotential__exposer_t CoulombPotentialInterface_InterCoulombPotential__exposer = CoulombPotentialInterface_InterCoulombPotential__exposer_t( "CoulombPotentialInterface_InterCoulombPotential_", "", bp::no_init );
bp::scope CoulombPotentialInterface_InterCoulombPotential__scope( CoulombPotentialInterface_InterCoulombPotential__exposer );
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::containsProperty
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*containsProperty_function_type)( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::containsProperty );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") )
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::parameters
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef ::SireMM::InterCoulombPotential::ParameterNames ( *parameters_function_type )( );
parameters_function_type parameters_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::parameters );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"parameters"
, parameters_function_value
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::properties
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef ::SireBase::Properties const & ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*properties_function_type)( ) const;
properties_function_type properties_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::properties );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"properties"
, properties_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::property
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef ::SireBase::Property const & ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*property_function_type)( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::property );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setProperty
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*setProperty_function_type)( ::QString const &,::SireBase::Property const & ) ;
setProperty_function_type setProperty_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setProperty );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("value") )
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setShiftElectrostatics
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*setShiftElectrostatics_function_type)( bool ) ;
setShiftElectrostatics_function_type setShiftElectrostatics_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setShiftElectrostatics );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"setShiftElectrostatics"
, setShiftElectrostatics_function_value
, ( bp::arg("switchelectro") )
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setSpace
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setSpace );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("new_space") )
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setSwitchingFunction
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*setSwitchingFunction_function_type)( ::SireMM::SwitchingFunction const & ) ;
setSwitchingFunction_function_type setSwitchingFunction_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::setSwitchingFunction );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"setSwitchingFunction"
, setSwitchingFunction_function_value
, ( bp::arg("new_switchfunc") )
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::shiftElectrostatics
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef bool ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*shiftElectrostatics_function_type)( ) const;
shiftElectrostatics_function_type shiftElectrostatics_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::shiftElectrostatics );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"shiftElectrostatics"
, shiftElectrostatics_function_value
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::space
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef ::SireVol::Space const & ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*space_function_type)( ) const;
space_function_type space_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::space );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::switchingFunction
typedef SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential > exported_class_t;
typedef ::SireMM::SwitchingFunction const & ( ::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::*switchingFunction_function_type)( ) const;
switchingFunction_function_type switchingFunction_function_value( &::SireMM::CoulombPotentialInterface< SireMM::InterCoulombPotential >::switchingFunction );
CoulombPotentialInterface_InterCoulombPotential__exposer.def(
"switchingFunction"
, switchingFunction_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
CoulombPotentialInterface_InterCoulombPotential__exposer.staticmethod( "parameters" );
CoulombPotentialInterface_InterCoulombPotential__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CoulombPotentialInterface<SireMM::InterCoulombPotential> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CoulombPotentialInterface_InterCoulombPotential__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CoulombPotentialInterface<SireMM::InterCoulombPotential> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CoulombPotentialInterface_InterCoulombPotential__exposer.def( "__str__", &pvt_get_name);
CoulombPotentialInterface_InterCoulombPotential__exposer.def( "__repr__", &pvt_get_name);
}
}
void register_Restraint3D_class(){
{ //::SireMM::Restraint3D
typedef bp::class_< SireMM::Restraint3D, bp::bases< SireMM::Restraint, SireBase::Property >, boost::noncopyable > Restraint3D_exposer_t;
Restraint3D_exposer_t Restraint3D_exposer = Restraint3D_exposer_t( "Restraint3D", "This is the base class of all restraints that operate in 3 dimensions,\nand so can thus return the force on the molecule caused by the restraint\n\nAuthor: Christopher Woods\n", bp::no_init );
bp::scope Restraint3D_scope( Restraint3D_exposer );
{ //::SireMM::Restraint3D::force
typedef void ( ::SireMM::Restraint3D::*force_function_type)( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::Restraint3D::force );
Restraint3D_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "" );
}
{ //::SireMM::Restraint3D::force
typedef void ( ::SireMM::Restraint3D::*force_function_type)( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::Restraint3D::force );
Restraint3D_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "" );
}
{ //::SireMM::Restraint3D::setSpace
typedef void ( ::SireMM::Restraint3D::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::Restraint3D::setSpace );
Restraint3D_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") )
, "Set the 3D space in which this restraint operates" );
}
{ //::SireMM::Restraint3D::space
typedef ::SireVol::Space const & ( ::SireMM::Restraint3D::*space_function_type)( ) const;
space_function_type space_function_value( &::SireMM::Restraint3D::space );
Restraint3D_exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the 3D space in which this restraint operates" );
}
{ //::SireMM::Restraint3D::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::Restraint3D::typeName );
Restraint3D_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireMM::Restraint3D::usesMoleculesIn
typedef bool ( ::SireMM::Restraint3D::*usesMoleculesIn_function_type)( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::Restraint3D::usesMoleculesIn );
Restraint3D_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") )
, "" );
}
{ //::SireMM::Restraint3D::usesMoleculesIn
typedef bool ( ::SireMM::Restraint3D::*usesMoleculesIn_function_type)( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::Restraint3D::usesMoleculesIn );
Restraint3D_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") )
, "" );
}
Restraint3D_exposer.staticmethod( "typeName" );
Restraint3D_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::Restraint3D >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Restraint3D_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::Restraint3D >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Restraint3D_exposer.def( "__str__", &__str__< ::SireMM::Restraint3D > );
Restraint3D_exposer.def( "__repr__", &__str__< ::SireMM::Restraint3D > );
}
}
void register_Center_class(){
{ //::SireFF::Center
typedef bp::class_< SireFF::Center, bp::bases< SireFF::Point, SireBase::Property > > Center_exposer_t;
Center_exposer_t Center_exposer = Center_exposer_t( "Center", "This point returns the center of a view of a molecule, or group\nof molecules", bp::init< >("Constructor") );
bp::scope Center_scope( Center_exposer );
Center_exposer.def( bp::init< SireMol::MoleculeView const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to get the center of the molecule view molview using the\npassed property map to find the required properties\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\n") );
Center_exposer.def( bp::init< SireMol::Molecules const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to get the center of the molecules in molecules, using the\npassed property map to find the required properties\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\n") );
Center_exposer.def( bp::init< SireFF::Center const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireFF::Center::addForce
typedef bool ( ::SireFF::Center::*addForce_function_type)( ::SireFF::MolForceTable &,::SireMaths::Vector const & ) const;
addForce_function_type addForce_function_value( &::SireFF::Center::addForce );
Center_exposer.def(
"addForce"
, addForce_function_value
, ( bp::arg("molforces"), bp::arg("force") )
, "Decompose the force force acting on this point from the\nmolecule whose forces are in molforces and add the\nforce onto the table" );
}
{ //::SireFF::Center::addForce
typedef bool ( ::SireFF::Center::*addForce_function_type)( ::SireFF::ForceTable &,::SireMaths::Vector const & ) const;
addForce_function_type addForce_function_value( &::SireFF::Center::addForce );
Center_exposer.def(
"addForce"
, addForce_function_value
, ( bp::arg("forces"), bp::arg("force") )
, "Decompose the force force into the forces acting on\nthe molecules that contribute to this point and add those\nforces onto the table forces" );
}
{ //::SireFF::Center::contains
typedef bool ( ::SireFF::Center::*contains_function_type)( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireFF::Center::contains );
Center_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") )
, "Return whether or not the molecule with number molnum is\nneeded to generate this point" );
}
{ //::SireFF::Center::contains
typedef bool ( ::SireFF::Center::*contains_function_type)( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireFF::Center::contains );
Center_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") )
, "Return whether or not this molecule with ID molid is\nneeded to generate this point" );
}
{ //::SireFF::Center::isExtraMoleculePoint
typedef bool ( ::SireFF::Center::*isExtraMoleculePoint_function_type)( ) const;
isExtraMoleculePoint_function_type isExtraMoleculePoint_function_value( &::SireFF::Center::isExtraMoleculePoint );
Center_exposer.def(
"isExtraMoleculePoint"
, isExtraMoleculePoint_function_value
, "Return whether or not this is an extramolecular point (it is independent\nof the coordinates of atoms in any molecule, i.e. it is just a point in space)" );
}
{ //::SireFF::Center::isInterMoleculePoint
typedef bool ( ::SireFF::Center::*isInterMoleculePoint_function_type)( ) const;
isInterMoleculePoint_function_type isInterMoleculePoint_function_value( &::SireFF::Center::isInterMoleculePoint );
Center_exposer.def(
"isInterMoleculePoint"
, isInterMoleculePoint_function_value
, "Return whether or not this is an intermolecular point (it depends on\ncoordinates of atoms from than one molecule)" );
}
{ //::SireFF::Center::isIntraMoleculePoint
typedef bool ( ::SireFF::Center::*isIntraMoleculePoint_function_type)( ) const;
isIntraMoleculePoint_function_type isIntraMoleculePoint_function_value( &::SireFF::Center::isIntraMoleculePoint );
Center_exposer.def(
"isIntraMoleculePoint"
, isIntraMoleculePoint_function_value
, "Return whether this is an intramolecular point (it depends on coordinates\nof atoms in just one molecule)" );
}
{ //::SireFF::Center::molecules
typedef ::SireMol::Molecules ( ::SireFF::Center::*molecules_function_type)( ) const;
molecules_function_type molecules_function_value( &::SireFF::Center::molecules );
Center_exposer.def(
"molecules"
, molecules_function_value
, "Return all of the molecules used to generate this point" );
}
{ //::SireFF::Center::nMolecules
typedef int ( ::SireFF::Center::*nMolecules_function_type)( ) const;
nMolecules_function_type nMolecules_function_value( &::SireFF::Center::nMolecules );
Center_exposer.def(
"nMolecules"
, nMolecules_function_value
, "Return the number of molecules needed to generate this point" );
}
Center_exposer.def( bp::self != bp::self );
{ //::SireFF::Center::operator=
typedef ::SireFF::Center & ( ::SireFF::Center::*assign_function_type)( ::SireFF::Center const & ) ;
assign_function_type assign_function_value( &::SireFF::Center::operator= );
Center_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
Center_exposer.def( bp::self == bp::self );
{ //::SireFF::Center::setSpace
typedef void ( ::SireFF::Center::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireFF::Center::setSpace );
Center_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") )
, "Set the space - if there is more than one molecule, then this\npoint can only be used with a cartesian, non-periodic space" );
}
{ //::SireFF::Center::toString
typedef ::QString ( ::SireFF::Center::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireFF::Center::toString );
Center_exposer.def(
"toString"
, toString_function_value
, "Return a string representation" );
}
{ //::SireFF::Center::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireFF::Center::typeName );
Center_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MoleculeGroup const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molgroup") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MolGroupsBase const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molgroups") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") )
, "Return whether or not this point uses data from any of the\nmolecules in the passed forcetable" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") )
, "Return whether or not this point uses data from any of the\nmolecules in molecules" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::MoleculeGroup const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molgroup") )
, "Return whether or not this point uses data from any of the\nmolecules in the group molgroup" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::MolGroupsBase const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molgroups") )
, "Return whether or not this point uses data from any of the\nmolecules in the groups in molgroups" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MoleculeData const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("moldata") )
, "Return whether or not the passed molecule would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::Molecules const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molecules") )
, "Return whether or not the passed molecules would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MoleculeGroup const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molgroup") )
, "Return whether or not the passed molecules would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MolGroupsBase const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molgroups") )
, "Return whether or not the passed molecules would change this point" );
}
Center_exposer.staticmethod( "typeName" );
Center_exposer.def( "__copy__", &__copy__);
Center_exposer.def( "__deepcopy__", &__copy__);
Center_exposer.def( "clone", &__copy__);
Center_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::Center >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Center_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::Center >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Center_exposer.def( "__str__", &__str__< ::SireFF::Center > );
Center_exposer.def( "__repr__", &__str__< ::SireFF::Center > );
}
}
void register_DoubleDistanceRestraint_class(){
{ //::SireMM::DoubleDistanceRestraint
typedef bp::class_< SireMM::DoubleDistanceRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > DoubleDistanceRestraint_exposer_t;
DoubleDistanceRestraint_exposer_t DoubleDistanceRestraint_exposer = DoubleDistanceRestraint_exposer_t( "DoubleDistanceRestraint", bp::init< >() );
bp::scope DoubleDistanceRestraint_scope( DoubleDistanceRestraint_exposer );
DoubleDistanceRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint") )) );
DoubleDistanceRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, SireCAS::Values const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint"), bp::arg("values") )) );
DoubleDistanceRestraint_exposer.def( bp::init< SireMM::DoubleDistanceRestraint const & >(( bp::arg("other") )) );
{ //::SireMM::DoubleDistanceRestraint::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::DoubleDistanceRestraint::*builtinSymbols_function_type )( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::DoubleDistanceRestraint::builtinSymbols );
DoubleDistanceRestraint_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::builtinValues
typedef ::SireCAS::Values ( ::SireMM::DoubleDistanceRestraint::*builtinValues_function_type )( ) const;
builtinValues_function_type builtinValues_function_value( &::SireMM::DoubleDistanceRestraint::builtinValues );
DoubleDistanceRestraint_exposer.def(
"builtinValues"
, builtinValues_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::contains
typedef bool ( ::SireMM::DoubleDistanceRestraint::*contains_function_type )( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMM::DoubleDistanceRestraint::contains );
DoubleDistanceRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMM::DoubleDistanceRestraint::contains
typedef bool ( ::SireMM::DoubleDistanceRestraint::*contains_function_type )( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireMM::DoubleDistanceRestraint::contains );
DoubleDistanceRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") ) );
}
{ //::SireMM::DoubleDistanceRestraint::differentialRestraintFunction01
typedef ::SireCAS::Expression const & ( ::SireMM::DoubleDistanceRestraint::*differentialRestraintFunction01_function_type )( ) const;
differentialRestraintFunction01_function_type differentialRestraintFunction01_function_value( &::SireMM::DoubleDistanceRestraint::differentialRestraintFunction01 );
DoubleDistanceRestraint_exposer.def(
"differentialRestraintFunction01"
, differentialRestraintFunction01_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::DoubleDistanceRestraint::differentialRestraintFunction23
typedef ::SireCAS::Expression const & ( ::SireMM::DoubleDistanceRestraint::*differentialRestraintFunction23_function_type )( ) const;
differentialRestraintFunction23_function_type differentialRestraintFunction23_function_value( &::SireMM::DoubleDistanceRestraint::differentialRestraintFunction23 );
DoubleDistanceRestraint_exposer.def(
"differentialRestraintFunction23"
, differentialRestraintFunction23_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::DoubleDistanceRestraint::differentiate
typedef ::SireMM::RestraintPtr ( ::SireMM::DoubleDistanceRestraint::*differentiate_function_type )( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::DoubleDistanceRestraint::differentiate );
DoubleDistanceRestraint_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::DoubleDistanceRestraint::force
typedef void ( ::SireMM::DoubleDistanceRestraint::*force_function_type )( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DoubleDistanceRestraint::force );
DoubleDistanceRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::DoubleDistanceRestraint::force
typedef void ( ::SireMM::DoubleDistanceRestraint::*force_function_type )( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DoubleDistanceRestraint::force );
DoubleDistanceRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::DoubleDistanceRestraint::molecules
typedef ::SireMol::Molecules ( ::SireMM::DoubleDistanceRestraint::*molecules_function_type )( ) const;
molecules_function_type molecules_function_value( &::SireMM::DoubleDistanceRestraint::molecules );
DoubleDistanceRestraint_exposer.def(
"molecules"
, molecules_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::nPoints
typedef int ( ::SireMM::DoubleDistanceRestraint::*nPoints_function_type )( ) const;
nPoints_function_type nPoints_function_value( &::SireMM::DoubleDistanceRestraint::nPoints );
DoubleDistanceRestraint_exposer.def(
"nPoints"
, nPoints_function_value );
}
DoubleDistanceRestraint_exposer.def( bp::self != bp::self );
{ //::SireMM::DoubleDistanceRestraint::operator=
typedef ::SireMM::DoubleDistanceRestraint & ( ::SireMM::DoubleDistanceRestraint::*assign_function_type )( ::SireMM::DoubleDistanceRestraint const & ) ;
assign_function_type assign_function_value( &::SireMM::DoubleDistanceRestraint::operator= );
DoubleDistanceRestraint_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
DoubleDistanceRestraint_exposer.def( bp::self == bp::self );
{ //::SireMM::DoubleDistanceRestraint::point
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point_function_type )( int ) const;
point_function_type point_function_value( &::SireMM::DoubleDistanceRestraint::point );
DoubleDistanceRestraint_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point0
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point0_function_type )( ) const;
point0_function_type point0_function_value( &::SireMM::DoubleDistanceRestraint::point0 );
DoubleDistanceRestraint_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point1
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point1_function_type )( ) const;
point1_function_type point1_function_value( &::SireMM::DoubleDistanceRestraint::point1 );
DoubleDistanceRestraint_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point2
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point2_function_type )( ) const;
point2_function_type point2_function_value( &::SireMM::DoubleDistanceRestraint::point2 );
DoubleDistanceRestraint_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point3
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point3_function_type )( ) const;
point3_function_type point3_function_value( &::SireMM::DoubleDistanceRestraint::point3 );
DoubleDistanceRestraint_exposer.def(
"point3"
, point3_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::r01
typedef ::SireCAS::Symbol const & ( *r01_function_type )( );
r01_function_type r01_function_value( &::SireMM::DoubleDistanceRestraint::r01 );
DoubleDistanceRestraint_exposer.def(
"r01"
, r01_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::r23
typedef ::SireCAS::Symbol const & ( *r23_function_type )( );
r23_function_type r23_function_value( &::SireMM::DoubleDistanceRestraint::r23 );
DoubleDistanceRestraint_exposer.def(
"r23"
, r23_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::setSpace
typedef void ( ::SireMM::DoubleDistanceRestraint::*setSpace_function_type )( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::DoubleDistanceRestraint::setSpace );
DoubleDistanceRestraint_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") ) );
}
{ //::SireMM::DoubleDistanceRestraint::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::DoubleDistanceRestraint::typeName );
DoubleDistanceRestraint_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::update
typedef void ( ::SireMM::DoubleDistanceRestraint::*update_function_type )( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMM::DoubleDistanceRestraint::update );
DoubleDistanceRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") ) );
}
{ //::SireMM::DoubleDistanceRestraint::update
typedef void ( ::SireMM::DoubleDistanceRestraint::*update_function_type )( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMM::DoubleDistanceRestraint::update );
DoubleDistanceRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::DoubleDistanceRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DoubleDistanceRestraint::*usesMoleculesIn_function_type )( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DoubleDistanceRestraint::usesMoleculesIn );
DoubleDistanceRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") ) );
}
{ //::SireMM::DoubleDistanceRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DoubleDistanceRestraint::*usesMoleculesIn_function_type )( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DoubleDistanceRestraint::usesMoleculesIn );
DoubleDistanceRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") ) );
}
DoubleDistanceRestraint_exposer.staticmethod( "r01" );
DoubleDistanceRestraint_exposer.staticmethod( "r23" );
DoubleDistanceRestraint_exposer.staticmethod( "typeName" );
DoubleDistanceRestraint_exposer.def( "__copy__", &__copy__);
DoubleDistanceRestraint_exposer.def( "__deepcopy__", &__copy__);
DoubleDistanceRestraint_exposer.def( "clone", &__copy__);
DoubleDistanceRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::DoubleDistanceRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DoubleDistanceRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::DoubleDistanceRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DoubleDistanceRestraint_exposer.def( "__str__", &__str__< ::SireMM::DoubleDistanceRestraint > );
DoubleDistanceRestraint_exposer.def( "__repr__", &__str__< ::SireMM::DoubleDistanceRestraint > );
}
}
