void register_InterGroupLJFF_class() {
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >
typedef bp::class_< SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >, bp::bases< SireFF::FF3D, SireFF::Inter2B2GFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> >, SireMM::LJPotentialInterface<SireMM::InterLJPotential>, SireFF::G2FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > InterGroupLJFF_exposer_t;
InterGroupLJFF_exposer_t InterGroupLJFF_exposer = InterGroupLJFF_exposer_t( "InterGroupLJFF", bp::init< >() );
bp::scope InterGroupLJFF_scope( InterGroupLJFF_exposer );
InterGroupLJFF_exposer.def( bp::init< QString const & >(( bp::arg("name") )) );
InterGroupLJFF_exposer.def( bp::init< SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > const & >(( bp::arg("other") )) );
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*energy_function_type )( ::SireFF::EnergyTable &,double ) ;
energy_function_type energy_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy );
InterGroupLJFF_exposer.def(
"energy"
, energy_function_value
, ( bp::arg("energytable"), bp::arg("scale_energy")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*energy_function_type )( ::SireFF::EnergyTable &,::SireCAS::Symbol const &,double ) ;
energy_function_type energy_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::energy );
InterGroupLJFF_exposer.def(
"energy"
, energy_function_value
, ( bp::arg("energytable"), bp::arg("symbol"), bp::arg("scale_energy")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,double ) ;
field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field );
InterGroupLJFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("scale_field")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,double ) ;
field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field );
InterGroupLJFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("scale_field")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field );
InterGroupLJFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*field_function_type )( ::SireFF::FieldTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
field_function_type field_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::field );
InterGroupLJFF_exposer.def(
"field"
, field_function_value
, ( bp::arg("fieldtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_field")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*force_function_type )( ::SireFF::ForceTable &,double ) ;
force_function_type force_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force );
InterGroupLJFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*force_function_type )( ::SireFF::ForceTable &,::SireCAS::Symbol const &,double ) ;
force_function_type force_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::force );
InterGroupLJFF_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) );
}
InterGroupLJFF_exposer.def( bp::self != bp::self );
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::operator=
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > & ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*assign_function_type )( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > const & ) ;
assign_function_type assign_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::operator= );
InterGroupLJFF_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
InterGroupLJFF_exposer.def( bp::self == bp::self );
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,double ) ;
potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential );
InterGroupLJFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ;
potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential );
InterGroupLJFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential );
InterGroupLJFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ;
potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::potential );
InterGroupLJFF_exposer.def(
"potential"
, potential_function_value
, ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::typeName
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::typeName );
InterGroupLJFF_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::what
typedef SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > > exported_class_t;
typedef char const * ( ::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::*what_function_type )( ) const;
what_function_type what_function_value( &::SireFF::Inter2B2G3DFF< SireMM::LJPotentialInterface< SireMM::InterLJPotential > >::what );
InterGroupLJFF_exposer.def(
"what"
, what_function_value );
}
InterGroupLJFF_exposer.staticmethod( "typeName" );
InterGroupLJFF_exposer.def( "__copy__", &__copy__);
InterGroupLJFF_exposer.def( "__deepcopy__", &__copy__);
InterGroupLJFF_exposer.def( "clone", &__copy__);
InterGroupLJFF_exposer.def( "__str__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > );
InterGroupLJFF_exposer.def( "__repr__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > );
InterGroupLJFF_exposer.def( "__len__", &__len_count< ::SireFF::Inter2B2G3DFF<SireMM::LJPotentialInterface<SireMM::InterLJPotential> > > );
}
}
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_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 > );
}
}
