void register_QMComponent_class(){
{ //::Squire::QMComponent
typedef bp::class_< Squire::QMComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > QMComponent_exposer_t;
QMComponent_exposer_t QMComponent_exposer = QMComponent_exposer_t( "QMComponent", "This class represents a QM energy", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() ), "Constructor for the forcefield called ffname") );
bp::scope QMComponent_scope( QMComponent_exposer );
QMComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") ), "Construct from a symbol\nThrow: SireError::incompatible_error\n") );
QMComponent_exposer.def( bp::init< Squire::QMComponent const & >(( bp::arg("other") ), "Copy constructor") );
{ //::Squire::QMComponent::changeEnergy
typedef void ( ::Squire::QMComponent::*changeEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const;
changeEnergy_function_type changeEnergy_function_value( &::Squire::QMComponent::changeEnergy );
QMComponent_exposer.def(
"changeEnergy"
, changeEnergy_function_value
, ( bp::arg("ff"), bp::arg("qmnrg") )
, "Change the QM component of the energy in the forcefield ff\nby delta" );
}
{ //::Squire::QMComponent::setEnergy
typedef void ( ::Squire::QMComponent::*setEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const;
setEnergy_function_type setEnergy_function_value( &::Squire::QMComponent::setEnergy );
QMComponent_exposer.def(
"setEnergy"
, setEnergy_function_value
, ( bp::arg("ff"), bp::arg("qmnrg") )
, "Set the QM component of the energy in the forcefield ff\nto equal to the passed QMEnergy" );
}
{ //::Squire::QMComponent::symbols
typedef ::SireCAS::Symbols ( ::Squire::QMComponent::*symbols_function_type)( ) const;
symbols_function_type symbols_function_value( &::Squire::QMComponent::symbols );
QMComponent_exposer.def(
"symbols"
, symbols_function_value
, "" );
}
{ //::Squire::QMComponent::total
typedef ::Squire::QMComponent const & ( ::Squire::QMComponent::*total_function_type)( ) const;
total_function_type total_function_value( &::Squire::QMComponent::total );
QMComponent_exposer.def(
"total"
, total_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "" );
}
{ //::Squire::QMComponent::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::Squire::QMComponent::typeName );
QMComponent_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::Squire::QMComponent::what
typedef char const * ( ::Squire::QMComponent::*what_function_type)( ) const;
what_function_type what_function_value( &::Squire::QMComponent::what );
QMComponent_exposer.def(
"what"
, what_function_value
, "" );
}
QMComponent_exposer.staticmethod( "typeName" );
QMComponent_exposer.def( "__copy__", &__copy__);
QMComponent_exposer.def( "__deepcopy__", &__copy__);
QMComponent_exposer.def( "clone", &__copy__);
QMComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMComponent_exposer.def( "__str__", &__str__< ::Squire::QMComponent > );
QMComponent_exposer.def( "__repr__", &__str__< ::Squire::QMComponent > );
QMComponent_exposer.def( "__hash__", &::Squire::QMComponent::hash );
}
}
void register_QMComponent_class(){
{ //::Squire::QMComponent
typedef bp::class_< Squire::QMComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > QMComponent_exposer_t;
QMComponent_exposer_t QMComponent_exposer = QMComponent_exposer_t( "QMComponent", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() )) );
bp::scope QMComponent_scope( QMComponent_exposer );
QMComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") )) );
QMComponent_exposer.def( bp::init< Squire::QMComponent const & >(( bp::arg("other") )) );
{ //::Squire::QMComponent::changeEnergy
typedef void ( ::Squire::QMComponent::*changeEnergy_function_type )( ::SireFF::FF &,::Squire::QMEnergy const & ) const;
changeEnergy_function_type changeEnergy_function_value( &::Squire::QMComponent::changeEnergy );
QMComponent_exposer.def(
"changeEnergy"
, changeEnergy_function_value
, ( bp::arg("ff"), bp::arg("qmnrg") ) );
}
{ //::Squire::QMComponent::setEnergy
typedef void ( ::Squire::QMComponent::*setEnergy_function_type )( ::SireFF::FF &,::Squire::QMEnergy const & ) const;
setEnergy_function_type setEnergy_function_value( &::Squire::QMComponent::setEnergy );
QMComponent_exposer.def(
"setEnergy"
, setEnergy_function_value
, ( bp::arg("ff"), bp::arg("qmnrg") ) );
}
{ //::Squire::QMComponent::symbols
typedef ::SireCAS::Symbols ( ::Squire::QMComponent::*symbols_function_type )( ) const;
symbols_function_type symbols_function_value( &::Squire::QMComponent::symbols );
QMComponent_exposer.def(
"symbols"
, symbols_function_value );
}
{ //::Squire::QMComponent::total
typedef ::Squire::QMComponent const & ( ::Squire::QMComponent::*total_function_type )( ) const;
total_function_type total_function_value( &::Squire::QMComponent::total );
QMComponent_exposer.def(
"total"
, total_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::Squire::QMComponent::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::Squire::QMComponent::typeName );
QMComponent_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::Squire::QMComponent::what
typedef char const * ( ::Squire::QMComponent::*what_function_type )( ) const;
what_function_type what_function_value( &::Squire::QMComponent::what );
QMComponent_exposer.def(
"what"
, what_function_value );
}
QMComponent_exposer.staticmethod( "typeName" );
QMComponent_exposer.def( "__copy__", &__copy__);
QMComponent_exposer.def( "__deepcopy__", &__copy__);
QMComponent_exposer.def( "clone", &__copy__);
QMComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMComponent >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
QMComponent_exposer.def( "__str__", &__str__< ::Squire::QMComponent > );
QMComponent_exposer.def( "__repr__", &__str__< ::Squire::QMComponent > );
}
}
