void register_TestFF_class(){
{ //::SireMM::TestFF
typedef bp::class_< SireMM::TestFF > TestFF_exposer_t;
TestFF_exposer_t TestFF_exposer = TestFF_exposer_t( "TestFF", "This is a simple forcefield that is designed to let me test new\nways of calculating energies before rolling out the new design\nto the rest of Sire\n\nAuthor: Christopher Woods\n", bp::init< >("") );
bp::scope TestFF_scope( TestFF_exposer );
TestFF_exposer.def( bp::init< SireMM::TestFF const & >(( bp::arg("other") ), "") );
{ //::SireMM::TestFF::add
typedef void ( ::SireMM::TestFF::*add_function_type)( ::SireMol::Molecules const & ) ;
add_function_type add_function_value( &::SireMM::TestFF::add );
TestFF_exposer.def(
"add"
, add_function_value
, ( bp::arg("molecules") )
, "" );
}
{ //::SireMM::TestFF::addFixedAtoms
typedef void ( ::SireMM::TestFF::*addFixedAtoms_function_type)( ::SireMol::Molecules const & ) ;
addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::TestFF::addFixedAtoms );
TestFF_exposer.def(
"addFixedAtoms"
, addFixedAtoms_function_value
, ( bp::arg("molecules") )
, "" );
}
{ //::SireMM::TestFF::calculateEnergy
typedef void ( ::SireMM::TestFF::*calculateEnergy_function_type)( ) ;
calculateEnergy_function_type calculateEnergy_function_value( &::SireMM::TestFF::calculateEnergy );
TestFF_exposer.def(
"calculateEnergy"
, calculateEnergy_function_value
, "" );
}
{ //::SireMM::TestFF::operator=
typedef ::SireMM::TestFF & ( ::SireMM::TestFF::*assign_function_type)( ::SireMM::TestFF const & ) ;
assign_function_type assign_function_value( &::SireMM::TestFF::operator= );
TestFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
{ //::SireMM::TestFF::setCutoff
typedef void ( ::SireMM::TestFF::*setCutoff_function_type)( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::TestFF::setCutoff );
TestFF_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("coul_cutoff"), bp::arg("lj_cutoff") )
, "" );
}
TestFF_exposer.def( "__copy__", &__copy__);
TestFF_exposer.def( "__deepcopy__", &__copy__);
TestFF_exposer.def( "clone", &__copy__);
TestFF_exposer.def( "__str__", &pvt_get_name);
TestFF_exposer.def( "__repr__", &pvt_get_name);
}
}
void register_TestFF_class(){
{ //::SireMM::TestFF
typedef bp::class_< SireMM::TestFF > TestFF_exposer_t;
TestFF_exposer_t TestFF_exposer = TestFF_exposer_t( "TestFF", bp::init< >() );
bp::scope TestFF_scope( TestFF_exposer );
TestFF_exposer.def( bp::init< SireMM::TestFF const & >(( bp::arg("other") )) );
{ //::SireMM::TestFF::add
typedef void ( ::SireMM::TestFF::*add_function_type )( ::SireMol::Molecules const & ) ;
add_function_type add_function_value( &::SireMM::TestFF::add );
TestFF_exposer.def(
"add"
, add_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::TestFF::addFixedAtoms
typedef void ( ::SireMM::TestFF::*addFixedAtoms_function_type )( ::SireMol::Molecules const & ) ;
addFixedAtoms_function_type addFixedAtoms_function_value( &::SireMM::TestFF::addFixedAtoms );
TestFF_exposer.def(
"addFixedAtoms"
, addFixedAtoms_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::TestFF::calculateEnergy
typedef void ( ::SireMM::TestFF::*calculateEnergy_function_type )( ) ;
calculateEnergy_function_type calculateEnergy_function_value( &::SireMM::TestFF::calculateEnergy );
TestFF_exposer.def(
"calculateEnergy"
, calculateEnergy_function_value );
}
{ //::SireMM::TestFF::operator=
typedef ::SireMM::TestFF & ( ::SireMM::TestFF::*assign_function_type )( ::SireMM::TestFF const & ) ;
assign_function_type assign_function_value( &::SireMM::TestFF::operator= );
TestFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
{ //::SireMM::TestFF::setCutoff
typedef void ( ::SireMM::TestFF::*setCutoff_function_type )( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::TestFF::setCutoff );
TestFF_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("coul_cutoff"), bp::arg("lj_cutoff") ) );
}
TestFF_exposer.def( "__copy__", &__copy__);
TestFF_exposer.def( "__deepcopy__", &__copy__);
TestFF_exposer.def( "clone", &__copy__);
TestFF_exposer.def( "__str__", &pvt_get_name);
TestFF_exposer.def( "__repr__", &pvt_get_name);
}
}
void register_CLJCutoffFunction_class(){
{ //::SireMM::CLJCutoffFunction
typedef bp::class_< SireMM::CLJCutoffFunction, bp::bases< SireMM::CLJFunction, SireBase::Property >, boost::noncopyable > CLJCutoffFunction_exposer_t;
CLJCutoffFunction_exposer_t CLJCutoffFunction_exposer = CLJCutoffFunction_exposer_t( "CLJCutoffFunction", "This is the base class of all CLJ functions that have a cutoff\n\nAuthor: Christopher Woods\n", bp::no_init );
bp::scope CLJCutoffFunction_scope( CLJCutoffFunction_exposer );
{ //::SireMM::CLJCutoffFunction::containsProperty
typedef bool ( ::SireMM::CLJCutoffFunction::*containsProperty_function_type)( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::CLJCutoffFunction::containsProperty );
CLJCutoffFunction_exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") )
, "Return whether or not this function contains a property called name" );
}
{ //::SireMM::CLJCutoffFunction::coulombCutoff
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*coulombCutoff_function_type)( ) const;
coulombCutoff_function_type coulombCutoff_function_value( &::SireMM::CLJCutoffFunction::coulombCutoff );
CLJCutoffFunction_exposer.def(
"coulombCutoff"
, coulombCutoff_function_value
, "Return the coulomb cutoff distance" );
}
{ //::SireMM::CLJCutoffFunction::hasCutoff
typedef bool ( ::SireMM::CLJCutoffFunction::*hasCutoff_function_type)( ) const;
hasCutoff_function_type hasCutoff_function_value( &::SireMM::CLJCutoffFunction::hasCutoff );
CLJCutoffFunction_exposer.def(
"hasCutoff"
, hasCutoff_function_value
, "Return whether or not this function has a cutoff" );
}
{ //::SireMM::CLJCutoffFunction::ljCutoff
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*ljCutoff_function_type)( ) const;
ljCutoff_function_type ljCutoff_function_value( &::SireMM::CLJCutoffFunction::ljCutoff );
CLJCutoffFunction_exposer.def(
"ljCutoff"
, ljCutoff_function_value
, "Return the LJ cutoff distance" );
}
{ //::SireMM::CLJCutoffFunction::properties
typedef ::SireBase::Properties ( ::SireMM::CLJCutoffFunction::*properties_function_type)( ) const;
properties_function_type properties_function_value( &::SireMM::CLJCutoffFunction::properties );
CLJCutoffFunction_exposer.def(
"properties"
, properties_function_value
, "Return the properties that can be set in this function" );
}
{ //::SireMM::CLJCutoffFunction::property
typedef ::SireBase::PropertyPtr ( ::SireMM::CLJCutoffFunction::*property_function_type)( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::CLJCutoffFunction::property );
CLJCutoffFunction_exposer.def(
"property"
, property_function_value
, ( bp::arg("name") )
, "Return the value of the property with name name" );
}
{ //::SireMM::CLJCutoffFunction::setCoulombCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCoulombCutoff_function_type)( ::SireUnits::Dimension::Length ) ;
setCoulombCutoff_function_type setCoulombCutoff_function_value( &::SireMM::CLJCutoffFunction::setCoulombCutoff );
CLJCutoffFunction_exposer.def(
"setCoulombCutoff"
, setCoulombCutoff_function_value
, ( bp::arg("distance") )
, "Set the coulomb cutoff to the specified distance" );
}
{ //::SireMM::CLJCutoffFunction::setCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type)( ::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff );
CLJCutoffFunction_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("distance") )
, "Set the coulomb and LJ cutoff distances to distance" );
}
{ //::SireMM::CLJCutoffFunction::setCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type)( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff );
CLJCutoffFunction_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("coulomb_cutoff"), bp::arg("lj_cutoff") )
, "Set the coulomb and LJ cutoff distances to the specified values" );
}
{ //::SireMM::CLJCutoffFunction::setLJCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setLJCutoff_function_type)( ::SireUnits::Dimension::Length ) ;
setLJCutoff_function_type setLJCutoff_function_value( &::SireMM::CLJCutoffFunction::setLJCutoff );
CLJCutoffFunction_exposer.def(
"setLJCutoff"
, setLJCutoff_function_value
, ( bp::arg("distance") )
, "Set the LJ cutoff to the specified distance" );
}
{ //::SireMM::CLJCutoffFunction::setProperty
typedef ::SireMM::CLJFunctionPtr ( ::SireMM::CLJCutoffFunction::*setProperty_function_type)( ::QString const &,::SireBase::Property const & ) const;
setProperty_function_type setProperty_function_value( &::SireMM::CLJCutoffFunction::setProperty );
CLJCutoffFunction_exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("value") )
, "Set the property with name name to value value" );
}
{ //::SireMM::CLJCutoffFunction::toString
typedef ::QString ( ::SireMM::CLJCutoffFunction::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireMM::CLJCutoffFunction::toString );
CLJCutoffFunction_exposer.def(
"toString"
, toString_function_value
, "" );
}
{ //::SireMM::CLJCutoffFunction::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::CLJCutoffFunction::typeName );
CLJCutoffFunction_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
CLJCutoffFunction_exposer.staticmethod( "typeName" );
CLJCutoffFunction_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJCutoffFunction >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJCutoffFunction_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJCutoffFunction >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJCutoffFunction_exposer.def( "__str__", &__str__< ::SireMM::CLJCutoffFunction > );
CLJCutoffFunction_exposer.def( "__repr__", &__str__< ::SireMM::CLJCutoffFunction > );
}
}
void register_CLJCutoffFunction_class(){
{ //::SireMM::CLJCutoffFunction
typedef bp::class_< SireMM::CLJCutoffFunction, bp::bases< SireMM::CLJFunction, SireBase::Property >, boost::noncopyable > CLJCutoffFunction_exposer_t;
CLJCutoffFunction_exposer_t CLJCutoffFunction_exposer = CLJCutoffFunction_exposer_t( "CLJCutoffFunction", bp::no_init );
bp::scope CLJCutoffFunction_scope( CLJCutoffFunction_exposer );
{ //::SireMM::CLJCutoffFunction::containsProperty
typedef bool ( ::SireMM::CLJCutoffFunction::*containsProperty_function_type )( ::QString const & ) const;
containsProperty_function_type containsProperty_function_value( &::SireMM::CLJCutoffFunction::containsProperty );
CLJCutoffFunction_exposer.def(
"containsProperty"
, containsProperty_function_value
, ( bp::arg("name") ) );
}
{ //::SireMM::CLJCutoffFunction::coulombCutoff
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*coulombCutoff_function_type )( ) const;
coulombCutoff_function_type coulombCutoff_function_value( &::SireMM::CLJCutoffFunction::coulombCutoff );
CLJCutoffFunction_exposer.def(
"coulombCutoff"
, coulombCutoff_function_value );
}
{ //::SireMM::CLJCutoffFunction::hasCutoff
typedef bool ( ::SireMM::CLJCutoffFunction::*hasCutoff_function_type )( ) const;
hasCutoff_function_type hasCutoff_function_value( &::SireMM::CLJCutoffFunction::hasCutoff );
CLJCutoffFunction_exposer.def(
"hasCutoff"
, hasCutoff_function_value );
}
{ //::SireMM::CLJCutoffFunction::ljCutoff
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJCutoffFunction::*ljCutoff_function_type )( ) const;
ljCutoff_function_type ljCutoff_function_value( &::SireMM::CLJCutoffFunction::ljCutoff );
CLJCutoffFunction_exposer.def(
"ljCutoff"
, ljCutoff_function_value );
}
{ //::SireMM::CLJCutoffFunction::properties
typedef ::SireBase::Properties ( ::SireMM::CLJCutoffFunction::*properties_function_type )( ) const;
properties_function_type properties_function_value( &::SireMM::CLJCutoffFunction::properties );
CLJCutoffFunction_exposer.def(
"properties"
, properties_function_value );
}
{ //::SireMM::CLJCutoffFunction::property
typedef ::SireBase::PropertyPtr ( ::SireMM::CLJCutoffFunction::*property_function_type )( ::QString const & ) const;
property_function_type property_function_value( &::SireMM::CLJCutoffFunction::property );
CLJCutoffFunction_exposer.def(
"property"
, property_function_value
, ( bp::arg("name") ) );
}
{ //::SireMM::CLJCutoffFunction::setCoulombCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCoulombCutoff_function_type )( ::SireUnits::Dimension::Length ) ;
setCoulombCutoff_function_type setCoulombCutoff_function_value( &::SireMM::CLJCutoffFunction::setCoulombCutoff );
CLJCutoffFunction_exposer.def(
"setCoulombCutoff"
, setCoulombCutoff_function_value
, ( bp::arg("distance") ) );
}
{ //::SireMM::CLJCutoffFunction::setCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type )( ::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff );
CLJCutoffFunction_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("distance") ) );
}
{ //::SireMM::CLJCutoffFunction::setCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setCutoff_function_type )( ::SireUnits::Dimension::Length,::SireUnits::Dimension::Length ) ;
setCutoff_function_type setCutoff_function_value( &::SireMM::CLJCutoffFunction::setCutoff );
CLJCutoffFunction_exposer.def(
"setCutoff"
, setCutoff_function_value
, ( bp::arg("coulomb_cutoff"), bp::arg("lj_cutoff") ) );
}
{ //::SireMM::CLJCutoffFunction::setLJCutoff
typedef void ( ::SireMM::CLJCutoffFunction::*setLJCutoff_function_type )( ::SireUnits::Dimension::Length ) ;
setLJCutoff_function_type setLJCutoff_function_value( &::SireMM::CLJCutoffFunction::setLJCutoff );
CLJCutoffFunction_exposer.def(
"setLJCutoff"
, setLJCutoff_function_value
, ( bp::arg("distance") ) );
}
{ //::SireMM::CLJCutoffFunction::setProperty
typedef ::SireMM::CLJFunctionPtr ( ::SireMM::CLJCutoffFunction::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) const;
setProperty_function_type setProperty_function_value( &::SireMM::CLJCutoffFunction::setProperty );
CLJCutoffFunction_exposer.def(
"setProperty"
, setProperty_function_value
, ( bp::arg("name"), bp::arg("value") ) );
}
{ //::SireMM::CLJCutoffFunction::toString
typedef ::QString ( ::SireMM::CLJCutoffFunction::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMM::CLJCutoffFunction::toString );
CLJCutoffFunction_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMM::CLJCutoffFunction::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::CLJCutoffFunction::typeName );
CLJCutoffFunction_exposer.def(
"typeName"
, typeName_function_value );
}
CLJCutoffFunction_exposer.staticmethod( "typeName" );
CLJCutoffFunction_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJCutoffFunction >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJCutoffFunction_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJCutoffFunction >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJCutoffFunction_exposer.def( "__str__", &__str__< ::SireMM::CLJCutoffFunction > );
CLJCutoffFunction_exposer.def( "__repr__", &__str__< ::SireMM::CLJCutoffFunction > );
}
}
