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_AngleComponent_class(){
{ //::SireSystem::AngleComponent
typedef bp::class_< SireSystem::AngleComponent, bp::bases< SireSystem::GeometryComponent, SireSystem::Constraint, SireBase::Property > > AngleComponent_exposer_t;
AngleComponent_exposer_t AngleComponent_exposer = AngleComponent_exposer_t( "AngleComponent", "This is a constraint that constrains a symbol to equal the\nvalue of an expression that involves an angle between three points\nor atoms\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") );
bp::scope AngleComponent_scope( AngleComponent_exposer );
AngleComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to set the value of constrained_symbol equal to the\nangle between the three points point0, point1 and point2") );
AngleComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("geometry_expression"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to set the value of constrained_symbol equal to the\nexpression based on the angles within the three points\npoint0, point1 and point2") );
AngleComponent_exposer.def( bp::init< SireSystem::AngleComponent const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireSystem::AngleComponent::nPoints
typedef int ( ::SireSystem::AngleComponent::*nPoints_function_type)( ) const;
nPoints_function_type nPoints_function_value( &::SireSystem::AngleComponent::nPoints );
AngleComponent_exposer.def(
"nPoints"
, nPoints_function_value
, "Return the number of points (3)" );
}
AngleComponent_exposer.def( bp::self != bp::self );
{ //::SireSystem::AngleComponent::operator=
typedef ::SireSystem::AngleComponent & ( ::SireSystem::AngleComponent::*assign_function_type)( ::SireSystem::AngleComponent const & ) ;
assign_function_type assign_function_value( &::SireSystem::AngleComponent::operator= );
AngleComponent_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
AngleComponent_exposer.def( bp::self == bp::self );
{ //::SireSystem::AngleComponent::point
typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point_function_type)( int ) const;
point_function_type point_function_value( &::SireSystem::AngleComponent::point );
AngleComponent_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the ith point\nThrow: SireError::invalid_index\n" );
}
{ //::SireSystem::AngleComponent::point0
typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point0_function_type)( ) const;
point0_function_type point0_function_value( &::SireSystem::AngleComponent::point0 );
AngleComponent_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the first point between which the angle is calculated" );
}
{ //::SireSystem::AngleComponent::point1
typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point1_function_type)( ) const;
point1_function_type point1_function_value( &::SireSystem::AngleComponent::point1 );
AngleComponent_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the second point between which the angle is calculated" );
}
{ //::SireSystem::AngleComponent::point2
typedef ::SireFF::Point const & ( ::SireSystem::AngleComponent::*point2_function_type)( ) const;
point2_function_type point2_function_value( &::SireSystem::AngleComponent::point2 );
AngleComponent_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the third point between which the angle is calculated" );
}
{ //::SireSystem::AngleComponent::r01
typedef ::SireCAS::Symbol const & ( *r01_function_type )( );
r01_function_type r01_function_value( &::SireSystem::AngleComponent::r01 );
AngleComponent_exposer.def(
"r01"
, r01_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the 0-1 distance" );
}
{ //::SireSystem::AngleComponent::r02
typedef ::SireCAS::Symbol const & ( *r02_function_type )( );
r02_function_type r02_function_value( &::SireSystem::AngleComponent::r02 );
AngleComponent_exposer.def(
"r02"
, r02_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the 0-2 distance" );
}
{ //::SireSystem::AngleComponent::r12
typedef ::SireCAS::Symbol const & ( *r12_function_type )( );
r12_function_type r12_function_value( &::SireSystem::AngleComponent::r12 );
AngleComponent_exposer.def(
"r12"
, r12_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the 1-2 distance" );
}
{ //::SireSystem::AngleComponent::theta
typedef ::SireCAS::Symbol const & ( *theta_function_type )( );
theta_function_type theta_function_value( &::SireSystem::AngleComponent::theta );
AngleComponent_exposer.def(
"theta"
, theta_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the central angle between\nthe three points" );
}
{ //::SireSystem::AngleComponent::theta012
typedef ::SireCAS::Symbol const & ( *theta012_function_type )( );
theta012_function_type theta012_function_value( &::SireSystem::AngleComponent::theta012 );
AngleComponent_exposer.def(
"theta012"
, theta012_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the angle 012 between\nthe three points" );
}
{ //::SireSystem::AngleComponent::theta021
typedef ::SireCAS::Symbol const & ( *theta021_function_type )( );
theta021_function_type theta021_function_value( &::SireSystem::AngleComponent::theta021 );
AngleComponent_exposer.def(
"theta021"
, theta021_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the angle 021 between\nthe three points" );
}
{ //::SireSystem::AngleComponent::theta102
typedef ::SireCAS::Symbol const & ( *theta102_function_type )( );
theta102_function_type theta102_function_value( &::SireSystem::AngleComponent::theta102 );
AngleComponent_exposer.def(
"theta102"
, theta102_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the angle 102 between\nthe three points" );
}
{ //::SireSystem::AngleComponent::toString
typedef ::QString ( ::SireSystem::AngleComponent::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireSystem::AngleComponent::toString );
AngleComponent_exposer.def(
"toString"
, toString_function_value
, "" );
}
{ //::SireSystem::AngleComponent::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireSystem::AngleComponent::typeName );
AngleComponent_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
AngleComponent_exposer.staticmethod( "r01" );
AngleComponent_exposer.staticmethod( "r02" );
AngleComponent_exposer.staticmethod( "r12" );
AngleComponent_exposer.staticmethod( "theta" );
AngleComponent_exposer.staticmethod( "theta012" );
AngleComponent_exposer.staticmethod( "theta021" );
AngleComponent_exposer.staticmethod( "theta102" );
AngleComponent_exposer.staticmethod( "typeName" );
AngleComponent_exposer.def( "__copy__", &__copy__);
AngleComponent_exposer.def( "__deepcopy__", &__copy__);
AngleComponent_exposer.def( "clone", &__copy__);
AngleComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::AngleComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AngleComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::AngleComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AngleComponent_exposer.def( "__str__", &__str__< ::SireSystem::AngleComponent > );
AngleComponent_exposer.def( "__repr__", &__str__< ::SireSystem::AngleComponent > );
}
}
void register_TripleDistanceComponent_class() {
{ //::SireSystem::TripleDistanceComponent
typedef bp::class_< SireSystem::TripleDistanceComponent, bp::bases< SireSystem::GeometryComponent, SireSystem::Constraint, SireBase::Property > > TripleDistanceComponent_exposer_t;
TripleDistanceComponent_exposer_t TripleDistanceComponent_exposer = TripleDistanceComponent_exposer_t( "TripleDistanceComponent", bp::init< >() );
bp::scope TripleDistanceComponent_scope( TripleDistanceComponent_exposer );
TripleDistanceComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("point4"), bp::arg("point5"), bp::arg("map")=SireBase::PropertyMap() )) );
TripleDistanceComponent_exposer.def( bp::init< SireCAS::Symbol const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("constrained_symbol"), bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("point4"), bp::arg("point5"), bp::arg("geometry_expression"), bp::arg("map")=SireBase::PropertyMap() )) );
TripleDistanceComponent_exposer.def( bp::init< SireSystem::TripleDistanceComponent const & >(( bp::arg("other") )) );
{ //::SireSystem::TripleDistanceComponent::nPoints
typedef int ( ::SireSystem::TripleDistanceComponent::*nPoints_function_type )( ) const;
nPoints_function_type nPoints_function_value( &::SireSystem::TripleDistanceComponent::nPoints );
TripleDistanceComponent_exposer.def(
"nPoints"
, nPoints_function_value );
}
TripleDistanceComponent_exposer.def( bp::self != bp::self );
{ //::SireSystem::TripleDistanceComponent::operator=
typedef ::SireSystem::TripleDistanceComponent & ( ::SireSystem::TripleDistanceComponent::*assign_function_type )( ::SireSystem::TripleDistanceComponent const & ) ;
assign_function_type assign_function_value( &::SireSystem::TripleDistanceComponent::operator= );
TripleDistanceComponent_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
TripleDistanceComponent_exposer.def( bp::self == bp::self );
{ //::SireSystem::TripleDistanceComponent::point
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point_function_type )( int ) const;
point_function_type point_function_value( &::SireSystem::TripleDistanceComponent::point );
TripleDistanceComponent_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point0
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point0_function_type )( ) const;
point0_function_type point0_function_value( &::SireSystem::TripleDistanceComponent::point0 );
TripleDistanceComponent_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point1
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point1_function_type )( ) const;
point1_function_type point1_function_value( &::SireSystem::TripleDistanceComponent::point1 );
TripleDistanceComponent_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point2
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point2_function_type )( ) const;
point2_function_type point2_function_value( &::SireSystem::TripleDistanceComponent::point2 );
TripleDistanceComponent_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point3
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point3_function_type )( ) const;
point3_function_type point3_function_value( &::SireSystem::TripleDistanceComponent::point3 );
TripleDistanceComponent_exposer.def(
"point3"
, point3_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point4
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point4_function_type )( ) const;
point4_function_type point4_function_value( &::SireSystem::TripleDistanceComponent::point4 );
TripleDistanceComponent_exposer.def(
"point4"
, point4_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::point5
typedef ::SireFF::Point const & ( ::SireSystem::TripleDistanceComponent::*point5_function_type )( ) const;
point5_function_type point5_function_value( &::SireSystem::TripleDistanceComponent::point5 );
TripleDistanceComponent_exposer.def(
"point5"
, point5_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::r01
typedef ::SireCAS::Symbol const & ( *r01_function_type )( );
r01_function_type r01_function_value( &::SireSystem::TripleDistanceComponent::r01 );
TripleDistanceComponent_exposer.def(
"r01"
, r01_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::r23
typedef ::SireCAS::Symbol const & ( *r23_function_type )( );
r23_function_type r23_function_value( &::SireSystem::TripleDistanceComponent::r23 );
TripleDistanceComponent_exposer.def(
"r23"
, r23_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::r45
typedef ::SireCAS::Symbol const & ( *r45_function_type )( );
r45_function_type r45_function_value( &::SireSystem::TripleDistanceComponent::r45 );
TripleDistanceComponent_exposer.def(
"r45"
, r45_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::TripleDistanceComponent::toString
typedef ::QString ( ::SireSystem::TripleDistanceComponent::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireSystem::TripleDistanceComponent::toString );
TripleDistanceComponent_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireSystem::TripleDistanceComponent::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireSystem::TripleDistanceComponent::typeName );
TripleDistanceComponent_exposer.def(
"typeName"
, typeName_function_value );
}
TripleDistanceComponent_exposer.staticmethod( "r01" );
TripleDistanceComponent_exposer.staticmethod( "r23" );
TripleDistanceComponent_exposer.staticmethod( "r45" );
TripleDistanceComponent_exposer.staticmethod( "typeName" );
TripleDistanceComponent_exposer.def( "__copy__", &__copy__);
TripleDistanceComponent_exposer.def( "__deepcopy__", &__copy__);
TripleDistanceComponent_exposer.def( "clone", &__copy__);
TripleDistanceComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::TripleDistanceComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
TripleDistanceComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::TripleDistanceComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
TripleDistanceComponent_exposer.def( "__str__", &__str__< ::SireSystem::TripleDistanceComponent > );
TripleDistanceComponent_exposer.def( "__repr__", &__str__< ::SireSystem::TripleDistanceComponent > );
}
}
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 > );
}
}
