void register_RBWorkspaceJM_class(){
{ //::SireMove::RBWorkspaceJM
typedef bp::class_< SireMove::RBWorkspaceJM, bp::bases< SireBase::Property > > RBWorkspaceJM_exposer_t;
RBWorkspaceJM_exposer_t RBWorkspaceJM_exposer = RBWorkspaceJM_exposer_t( "RBWorkspaceJM", bp::init< bp::optional< SireBase::PropertyMap const & > >(( bp::arg("map")=SireBase::PropertyMap() )) );
bp::scope RBWorkspaceJM_scope( RBWorkspaceJM_exposer );
RBWorkspaceJM_exposer.def( bp::init< SireMol::MoleculeGroup const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() )) );
RBWorkspaceJM_exposer.def( bp::init< SireMove::RBWorkspaceJM const & >(( bp::arg("other") )) );
{ //::SireMove::RBWorkspaceJM::beadAtomIntCoords
typedef ::QVector< QVector< SireMaths::Vector > > ( ::SireMove::RBWorkspaceJM::*beadAtomIntCoords_function_type )( ) const;
beadAtomIntCoords_function_type beadAtomIntCoords_function_value( &::SireMove::RBWorkspaceJM::beadAtomIntCoords );
RBWorkspaceJM_exposer.def(
"beadAtomIntCoords"
, beadAtomIntCoords_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadCoordinatesArray
typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadCoordinatesArray_function_type )( ) const;
beadCoordinatesArray_function_type beadCoordinatesArray_function_value( &::SireMove::RBWorkspaceJM::beadCoordinatesArray );
RBWorkspaceJM_exposer.def(
"beadCoordinatesArray"
, beadCoordinatesArray_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadEnergiesArray
typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadEnergiesArray_function_type )( ) const;
beadEnergiesArray_function_type beadEnergiesArray_function_value( &::SireMove::RBWorkspaceJM::beadEnergiesArray );
RBWorkspaceJM_exposer.def(
"beadEnergiesArray"
, beadEnergiesArray_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadForcesArray
typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadForcesArray_function_type )( ) const;
beadForcesArray_function_type beadForcesArray_function_value( &::SireMove::RBWorkspaceJM::beadForcesArray );
RBWorkspaceJM_exposer.def(
"beadForcesArray"
, beadForcesArray_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadOrientationArray
typedef ::QVector< SireMaths::Quaternion > ( ::SireMove::RBWorkspaceJM::*beadOrientationArray_function_type )( ) const;
beadOrientationArray_function_type beadOrientationArray_function_value( &::SireMove::RBWorkspaceJM::beadOrientationArray );
RBWorkspaceJM_exposer.def(
"beadOrientationArray"
, beadOrientationArray_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadToWorldMatrix
typedef ::QVector< SireMaths::Matrix > ( ::SireMove::RBWorkspaceJM::*beadToWorldMatrix_function_type )( ) const;
beadToWorldMatrix_function_type beadToWorldMatrix_function_value( &::SireMove::RBWorkspaceJM::beadToWorldMatrix );
RBWorkspaceJM_exposer.def(
"beadToWorldMatrix"
, beadToWorldMatrix_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadTorquesArray
typedef ::QVector< SireMaths::Vector > ( ::SireMove::RBWorkspaceJM::*beadTorquesArray_function_type )( ) const;
beadTorquesArray_function_type beadTorquesArray_function_value( &::SireMove::RBWorkspaceJM::beadTorquesArray );
RBWorkspaceJM_exposer.def(
"beadTorquesArray"
, beadTorquesArray_function_value );
}
{ //::SireMove::RBWorkspaceJM::beadingProperty
typedef ::SireBase::PropertyName ( ::SireMove::RBWorkspaceJM::*beadingProperty_function_type )( ) const;
beadingProperty_function_type beadingProperty_function_value( &::SireMove::RBWorkspaceJM::beadingProperty );
RBWorkspaceJM_exposer.def(
"beadingProperty"
, beadingProperty_function_value );
}
{ //::SireMove::RBWorkspaceJM::calculateForces
typedef bool ( ::SireMove::RBWorkspaceJM::*calculateForces_function_type )( ::SireCAS::Symbol const & ) ;
calculateForces_function_type calculateForces_function_value( &::SireMove::RBWorkspaceJM::calculateForces );
RBWorkspaceJM_exposer.def(
"calculateForces"
, calculateForces_function_value
, ( bp::arg("nrg_component") ) );
}
{ //::SireMove::RBWorkspaceJM::calculateRBForces
typedef bool ( ::SireMove::RBWorkspaceJM::*calculateRBForces_function_type )( ) ;
calculateRBForces_function_type calculateRBForces_function_value( &::SireMove::RBWorkspaceJM::calculateRBForces );
RBWorkspaceJM_exposer.def(
"calculateRBForces"
, calculateRBForces_function_value );
}
{ //::SireMove::RBWorkspaceJM::commitCoordinates
typedef void ( ::SireMove::RBWorkspaceJM::*commitCoordinates_function_type )( ) ;
commitCoordinates_function_type commitCoordinates_function_value( &::SireMove::RBWorkspaceJM::commitCoordinates );
RBWorkspaceJM_exposer.def(
"commitCoordinates"
, commitCoordinates_function_value );
}
{ //::SireMove::RBWorkspaceJM::commitCoordinatesAndVelocities
typedef void ( ::SireMove::RBWorkspaceJM::*commitCoordinatesAndVelocities_function_type )( ) ;
commitCoordinatesAndVelocities_function_type commitCoordinatesAndVelocities_function_value( &::SireMove::RBWorkspaceJM::commitCoordinatesAndVelocities );
RBWorkspaceJM_exposer.def(
"commitCoordinatesAndVelocities"
, commitCoordinatesAndVelocities_function_value );
}
{ //::SireMove::RBWorkspaceJM::commitVelocities
typedef void ( ::SireMove::RBWorkspaceJM::*commitVelocities_function_type )( ) ;
commitVelocities_function_type commitVelocities_function_value( &::SireMove::RBWorkspaceJM::commitVelocities );
RBWorkspaceJM_exposer.def(
"commitVelocities"
, commitVelocities_function_value );
}
{ //::SireMove::RBWorkspaceJM::kineticEnergy
typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ) const;
kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy );
RBWorkspaceJM_exposer.def(
"kineticEnergy"
, kineticEnergy_function_value );
}
{ //::SireMove::RBWorkspaceJM::kineticEnergy
typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ::SireMol::MolNum ) const;
kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy );
RBWorkspaceJM_exposer.def(
"kineticEnergy"
, kineticEnergy_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMove::RBWorkspaceJM::kineticEnergy
typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMove::RBWorkspaceJM::*kineticEnergy_function_type )( ::SireMol::MoleculeView const & ) const;
kineticEnergy_function_type kineticEnergy_function_value( &::SireMove::RBWorkspaceJM::kineticEnergy );
RBWorkspaceJM_exposer.def(
"kineticEnergy"
, kineticEnergy_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMove::RBWorkspaceJM::nAtoms
typedef int ( ::SireMove::RBWorkspaceJM::*nAtoms_function_type )( int ) const;
nAtoms_function_type nAtoms_function_value( &::SireMove::RBWorkspaceJM::nAtoms );
RBWorkspaceJM_exposer.def(
"nAtoms"
, nAtoms_function_value
, ( bp::arg("ibead") ) );
}
{ //::SireMove::RBWorkspaceJM::nBeads
typedef int ( ::SireMove::RBWorkspaceJM::*nBeads_function_type )( ) const;
nBeads_function_type nBeads_function_value( &::SireMove::RBWorkspaceJM::nBeads );
RBWorkspaceJM_exposer.def(
"nBeads"
, nBeads_function_value );
}
RBWorkspaceJM_exposer.def( bp::self != bp::self );
{ //::SireMove::RBWorkspaceJM::operator=
typedef ::SireMove::RBWorkspaceJM & ( ::SireMove::RBWorkspaceJM::*assign_function_type )( ::SireMove::RBWorkspaceJM const & ) ;
assign_function_type assign_function_value( &::SireMove::RBWorkspaceJM::operator= );
RBWorkspaceJM_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
RBWorkspaceJM_exposer.def( bp::self == bp::self );
{ //::SireMove::RBWorkspaceJM::regenerateVelocities
typedef void ( ::SireMove::RBWorkspaceJM::*regenerateVelocities_function_type )( ::SireMove::VelocityGenerator const & ) ;
regenerateVelocities_function_type regenerateVelocities_function_value( &::SireMove::RBWorkspaceJM::regenerateVelocities );
RBWorkspaceJM_exposer.def(
"regenerateVelocities"
, regenerateVelocities_function_value
, ( bp::arg("generator") ) );
}
{ //::SireMove::RBWorkspaceJM::setForceTable
typedef void ( ::SireMove::RBWorkspaceJM::*setForceTable_function_type )( ::SireFF::ForceTable & ) ;
setForceTable_function_type setForceTable_function_value( &::SireMove::RBWorkspaceJM::setForceTable );
RBWorkspaceJM_exposer.def(
"setForceTable"
, setForceTable_function_value
, ( bp::arg("forces") ) );
}
{ //::SireMove::RBWorkspaceJM::setSystem
typedef bool ( ::SireMove::RBWorkspaceJM::*setSystem_function_type )( ::SireSystem::System const & ) ;
setSystem_function_type setSystem_function_value( &::SireMove::RBWorkspaceJM::setSystem );
RBWorkspaceJM_exposer.def(
"setSystem"
, setSystem_function_value
, ( bp::arg("system") ) );
}
{ //::SireMove::RBWorkspaceJM::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMove::RBWorkspaceJM::typeName );
RBWorkspaceJM_exposer.def(
"typeName"
, typeName_function_value );
}
RBWorkspaceJM_exposer.staticmethod( "typeName" );
RBWorkspaceJM_exposer.def( "__copy__", &__copy__);
RBWorkspaceJM_exposer.def( "__deepcopy__", &__copy__);
RBWorkspaceJM_exposer.def( "clone", &__copy__);
RBWorkspaceJM_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::RBWorkspaceJM >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
RBWorkspaceJM_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::RBWorkspaceJM >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
RBWorkspaceJM_exposer.def( "__str__", &__str__< ::SireMove::RBWorkspaceJM > );
RBWorkspaceJM_exposer.def( "__repr__", &__str__< ::SireMove::RBWorkspaceJM > );
}
}
void register_Segment_class(){
{ //::SireMol::Segment
typedef bp::class_< SireMol::Segment, bp::bases< SireMol::MoleculeView, SireBase::Property > > Segment_exposer_t;
Segment_exposer_t Segment_exposer = Segment_exposer_t( "Segment", bp::init< >() );
bp::scope Segment_scope( Segment_exposer );
Segment_exposer.def( bp::init< SireMol::MoleculeData const &, SireMol::SegID const & >(( bp::arg("data"), bp::arg("segid") )) );
Segment_exposer.def( bp::init< SireMol::Segment const & >(( bp::arg("other") )) );
{ //::SireMol::Segment::assertContainsMetadata
typedef void ( ::SireMol::Segment::*assertContainsMetadata_function_type )( ::SireBase::PropertyName const & ) const;
assertContainsMetadata_function_type assertContainsMetadata_function_value( &::SireMol::Segment::assertContainsMetadata );
Segment_exposer.def(
"assertContainsMetadata"
, assertContainsMetadata_function_value
, ( bp::arg("metakey") ) );
}
{ //::SireMol::Segment::assertContainsMetadata
typedef void ( ::SireMol::Segment::*assertContainsMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
assertContainsMetadata_function_type assertContainsMetadata_function_value( &::SireMol::Segment::assertContainsMetadata );
Segment_exposer.def(
"assertContainsMetadata"
, assertContainsMetadata_function_value
, ( bp::arg("key"), bp::arg("metakey") ) );
}
{ //::SireMol::Segment::assertContainsProperty
typedef void ( ::SireMol::Segment::*assertContainsProperty_function_type )( ::SireBase::PropertyName const & ) const;
assertContainsProperty_function_type assertContainsProperty_function_value( &::SireMol::Segment::assertContainsProperty );
Segment_exposer.def(
"assertContainsProperty"
, assertContainsProperty_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::Segment::atomIdxs
typedef ::QList< SireMol::AtomIdx > const & ( ::SireMol::Segment::*atomIdxs_function_type )( ) const;
atomIdxs_function_type atomIdxs_function_value( &::SireMol::Segment::atomIdxs );
Segment_exposer.def(
"atomIdxs"
, atomIdxs_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::Segment::contains
typedef bool ( ::SireMol::Segment::*contains_function_type )( ::SireMol::AtomIdx ) const;
contains_function_type contains_function_value( &::SireMol::Segment::contains );
Segment_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("atomidx") ) );
}
{ //::SireMol::Segment::contains
typedef bool ( ::SireMol::Segment::*contains_function_type )( ::SireMol::AtomID const & ) const;
contains_function_type contains_function_value( &::SireMol::Segment::contains );
Segment_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("atomid") ) );
}
{ //::SireMol::Segment::edit
typedef ::SireMol::SegEditor ( ::SireMol::Segment::*edit_function_type )( ) const;
edit_function_type edit_function_value( &::SireMol::Segment::edit );
Segment_exposer.def(
"edit"
, edit_function_value );
}
{ //::SireMol::Segment::evaluate
typedef ::SireMol::Evaluator ( ::SireMol::Segment::*evaluate_function_type )( ) const;
evaluate_function_type evaluate_function_value( &::SireMol::Segment::evaluate );
Segment_exposer.def(
"evaluate"
, evaluate_function_value );
}
{ //::SireMol::Segment::hasMetadata
typedef bool ( ::SireMol::Segment::*hasMetadata_function_type )( ::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::Segment::hasMetadata );
Segment_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("metakey") ) );
}
{ //::SireMol::Segment::hasMetadata
typedef bool ( ::SireMol::Segment::*hasMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::Segment::hasMetadata );
Segment_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("key"), bp::arg("metakey") ) );
}
{ //::SireMol::Segment::hasProperty
typedef bool ( ::SireMol::Segment::*hasProperty_function_type )( ::SireBase::PropertyName const & ) const;
hasProperty_function_type hasProperty_function_value( &::SireMol::Segment::hasProperty );
Segment_exposer.def(
"hasProperty"
, hasProperty_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::Segment::index
typedef ::SireMol::SegIdx ( ::SireMol::Segment::*index_function_type )( ) const;
index_function_type index_function_value( &::SireMol::Segment::index );
Segment_exposer.def(
"index"
, index_function_value );
}
{ //::SireMol::Segment::intersects
typedef bool ( ::SireMol::Segment::*intersects_function_type )( ::SireMol::AtomID const & ) const;
intersects_function_type intersects_function_value( &::SireMol::Segment::intersects );
Segment_exposer.def(
"intersects"
, intersects_function_value
, ( bp::arg("atomid") ) );
}
{ //::SireMol::Segment::isEmpty
typedef bool ( ::SireMol::Segment::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::Segment::isEmpty );
Segment_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMol::Segment::metadataKeys
typedef ::QStringList ( ::SireMol::Segment::*metadataKeys_function_type )( ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::Segment::metadataKeys );
Segment_exposer.def(
"metadataKeys"
, metadataKeys_function_value );
}
{ //::SireMol::Segment::metadataKeys
typedef ::QStringList ( ::SireMol::Segment::*metadataKeys_function_type )( ::SireBase::PropertyName const & ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::Segment::metadataKeys );
Segment_exposer.def(
"metadataKeys"
, metadataKeys_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::Segment::move
typedef ::SireMol::Mover< SireMol::Segment > ( ::SireMol::Segment::*move_function_type )( ) const;
move_function_type move_function_value( &::SireMol::Segment::move );
Segment_exposer.def(
"move"
, move_function_value );
}
{ //::SireMol::Segment::nAtoms
typedef int ( ::SireMol::Segment::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::Segment::nAtoms );
Segment_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMol::Segment::name
typedef ::SireMol::SegName const & ( ::SireMol::Segment::*name_function_type )( ) const;
name_function_type name_function_value( &::SireMol::Segment::name );
Segment_exposer.def(
"name"
, name_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
Segment_exposer.def( bp::self != bp::self );
{ //::SireMol::Segment::operator=
typedef ::SireMol::Segment & ( ::SireMol::Segment::*assign_function_type )( ::SireMol::Segment const & ) ;
assign_function_type assign_function_value( &::SireMol::Segment::operator= );
Segment_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
Segment_exposer.def( bp::self == bp::self );
{ //::SireMol::Segment::propertyKeys
typedef ::QStringList ( ::SireMol::Segment::*propertyKeys_function_type )( ) const;
propertyKeys_function_type propertyKeys_function_value( &::SireMol::Segment::propertyKeys );
Segment_exposer.def(
"propertyKeys"
, propertyKeys_function_value );
}
{ //::SireMol::Segment::selectedAll
typedef bool ( ::SireMol::Segment::*selectedAll_function_type )( ) const;
selectedAll_function_type selectedAll_function_value( &::SireMol::Segment::selectedAll );
Segment_exposer.def(
"selectedAll"
, selectedAll_function_value );
}
{ //::SireMol::Segment::selection
typedef ::SireMol::AtomSelection ( ::SireMol::Segment::*selection_function_type )( ) const;
selection_function_type selection_function_value( &::SireMol::Segment::selection );
Segment_exposer.def(
"selection"
, selection_function_value );
}
{ //::SireMol::Segment::selector
typedef ::SireMol::Selector< SireMol::Segment > ( ::SireMol::Segment::*selector_function_type )( ) const;
selector_function_type selector_function_value( &::SireMol::Segment::selector );
Segment_exposer.def(
"selector"
, selector_function_value );
}
{ //::SireMol::Segment::toString
typedef ::QString ( ::SireMol::Segment::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMol::Segment::toString );
Segment_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMol::Segment::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::Segment::typeName );
Segment_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMol::Segment::update
typedef void ( ::SireMol::Segment::*update_function_type )( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMol::Segment::update );
Segment_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") ) );
}
Segment_exposer.staticmethod( "typeName" );
Segment_exposer.def( "_get_property_SireMol_SegStringProperty", &SireMol::Segment::property< QString >, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegStringProperty", get_Metadata_SireMol_SegStringProperty_function1, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegStringProperty", &get_Metadata_SireMol_SegStringProperty_function2, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_property_SireMol_SegIntProperty", &SireMol::Segment::property< qint64 >, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegIntProperty", get_Metadata_SireMol_SegIntProperty_function1, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegIntProperty", &get_Metadata_SireMol_SegIntProperty_function2, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_property_SireMol_SegFloatProperty", &SireMol::Segment::property< double >, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegFloatProperty", get_Metadata_SireMol_SegFloatProperty_function1, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegFloatProperty", &get_Metadata_SireMol_SegFloatProperty_function2, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_property_SireMol_SegVariantProperty", &SireMol::Segment::property< QVariant >, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegVariantProperty", get_Metadata_SireMol_SegVariantProperty_function1, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "_get_metadata_SireMol_SegVariantProperty", &get_Metadata_SireMol_SegVariantProperty_function2, bp::return_value_policy<bp::copy_const_reference>());
Segment_exposer.def( "__copy__", &__copy__);
Segment_exposer.def( "__deepcopy__", &__copy__);
Segment_exposer.def( "clone", &__copy__);
Segment_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::Segment >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Segment_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::Segment >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Segment_exposer.def( "__str__", &__str__< ::SireMol::Segment > );
Segment_exposer.def( "__repr__", &__str__< ::SireMol::Segment > );
}
}
void register_AtomFloatProperty_class(){
{ //::SireMol::AtomProperty< double >
typedef bp::class_< SireMol::AtomProperty< double >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomFloatProperty_exposer_t;
AtomFloatProperty_exposer_t AtomFloatProperty_exposer = AtomFloatProperty_exposer_t( "AtomFloatProperty", "", bp::init< >("") );
bp::scope AtomFloatProperty_scope( AtomFloatProperty_exposer );
AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireMol::MoleculeInfoData const &, double const & >(( bp::arg("molinfo"), bp::arg("default_value") ), "") );
AtomFloatProperty_exposer.def( bp::init< double const & >(( bp::arg("value") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireBase::PackedArray2D< double > const & >(( bp::arg("values") ), "") );
AtomFloatProperty_exposer.def( bp::init< SireMol::AtomProperty< double > const & >(( bp::arg("other") ), "") );
{ //::SireMol::AtomProperty< double >::array
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double > const & ( ::SireMol::AtomProperty< double >::*array_function_type)( ) const;
array_function_type array_function_value( &::SireMol::AtomProperty< double >::array );
AtomFloatProperty_exposer.def(
"array"
, array_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::assertCanConvert
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*assertCanConvert_function_type)( ::QVariant const & ) const;
assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< double >::assertCanConvert );
AtomFloatProperty_exposer.def(
"assertCanConvert"
, assertCanConvert_function_value
, ( bp::arg("value") )
, "" );
}
{ //::SireMol::AtomProperty< double >::assignFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*assignFrom_function_type)( ::SireMol::AtomProperty< QVariant > const & ) ;
assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< double >::assignFrom );
AtomFloatProperty_exposer.def(
"assignFrom"
, assignFrom_function_value
, ( bp::arg("values") )
, "" );
}
{ //::SireMol::AtomProperty< double >::at
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGIdx ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< double >::at );
AtomFloatProperty_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::at
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*at_function_type)( ::SireMol::CGAtomIdx const & ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< double >::at );
AtomFloatProperty_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::canConvert
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*canConvert_function_type)( ::QVariant const & ) const;
canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< double >::canConvert );
AtomFloatProperty_exposer.def(
"canConvert"
, canConvert_function_value
, ( bp::arg("value") )
, "" );
}
{ //::SireMol::AtomProperty< double >::copyFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom );
AtomFloatProperty_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values") )
, "" );
}
{ //::SireMol::AtomProperty< double >::copyFrom
typedef SireMol::AtomProperty< double > exported_class_t;
typedef void ( ::SireMol::AtomProperty< double >::*copyFrom_function_type)( ::QVector< double > const &,::SireMol::AtomSelection const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< double >::copyFrom );
AtomFloatProperty_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values"), bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::count
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*count_function_type)( ) const;
count_function_type count_function_value( &::SireMol::AtomProperty< double >::count );
AtomFloatProperty_exposer.def(
"count"
, count_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::divide
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divide_function_type)( ::QVector< SireMol::AtomSelection > const & ) const;
divide_function_type divide_function_value( &::SireMol::AtomProperty< double >::divide );
AtomFloatProperty_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("beads") )
, "" );
}
{ //::SireMol::AtomProperty< double >::divideByResidue
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*divideByResidue_function_type)( ::SireMol::MoleculeInfoData const & ) const;
divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< double >::divideByResidue );
AtomFloatProperty_exposer.def(
"divideByResidue"
, divideByResidue_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::fromVariant
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & );
fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< double >::fromVariant );
AtomFloatProperty_exposer.def(
"fromVariant"
, fromVariant_function_value
, ( bp::arg("variant") )
, "" );
}
{ //::SireMol::AtomProperty< double >::get
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGIdx ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< double >::get );
AtomFloatProperty_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::get
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*get_function_type)( ::SireMol::CGAtomIdx const & ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< double >::get );
AtomFloatProperty_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::isCompatibleWith
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfoData const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith );
AtomFloatProperty_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::isCompatibleWith
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isCompatibleWith_function_type)( ::SireMol::MoleculeInfo const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< double >::isCompatibleWith );
AtomFloatProperty_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::isEmpty
typedef SireMol::AtomProperty< double > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< double >::*isEmpty_function_type)( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::AtomProperty< double >::isEmpty );
AtomFloatProperty_exposer.def(
"isEmpty"
, isEmpty_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::matchToSelection
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > ( ::SireMol::AtomProperty< double >::*matchToSelection_function_type)( ::SireMol::AtomSelection const & ) const;
matchToSelection_function_type matchToSelection_function_value( &::SireMol::AtomProperty< double >::matchToSelection );
AtomFloatProperty_exposer.def(
"matchToSelection"
, matchToSelection_function_value
, ( bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::merge
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< double >::*merge_function_type)( ::SireMol::MoleculeInfoData const & ) const;
merge_function_type merge_function_value( &::SireMol::AtomProperty< double >::merge );
AtomFloatProperty_exposer.def(
"merge"
, merge_function_value
, ( bp::arg("molinfo") )
, "" );
}
{ //::SireMol::AtomProperty< double >::nAtoms
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms );
AtomFloatProperty_exposer.def(
"nAtoms"
, nAtoms_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::nAtoms
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nAtoms_function_type)( ::SireMol::CGIdx ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< double >::nAtoms );
AtomFloatProperty_exposer.def(
"nAtoms"
, nAtoms_function_value
, ( bp::arg("cgidx") )
, "" );
}
{ //::SireMol::AtomProperty< double >::nCutGroups
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*nCutGroups_function_type)( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< double >::nCutGroups );
AtomFloatProperty_exposer.def(
"nCutGroups"
, nCutGroups_function_value
, "" );
}
AtomFloatProperty_exposer.def( bp::self != bp::self );
{ //::SireMol::AtomProperty< double >::operator=
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*assign_function_type)( ::SireMol::AtomProperty< double > const & ) ;
assign_function_type assign_function_value( &::SireMol::AtomProperty< double >::operator= );
AtomFloatProperty_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
AtomFloatProperty_exposer.def( bp::self == bp::self );
{ //::SireMol::AtomProperty< double >::operator[]
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireBase::PackedArray2D< double >::Array const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGIdx ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] );
AtomFloatProperty_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::operator[]
typedef SireMol::AtomProperty< double > exported_class_t;
typedef double const & ( ::SireMol::AtomProperty< double >::*__getitem___function_type)( ::SireMol::CGAtomIdx const & ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< double >::operator[] );
AtomFloatProperty_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireMol::AtomProperty< double >::set
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGAtomIdx const &,double const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< double >::set );
AtomFloatProperty_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgatomidx"), bp::arg("value") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::AtomProperty< double >::set
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< double > & ( ::SireMol::AtomProperty< double >::*set_function_type)( ::SireMol::CGIdx,::QVector< double > const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< double >::set );
AtomFloatProperty_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("values") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::AtomProperty< double >::size
typedef SireMol::AtomProperty< double > exported_class_t;
typedef int ( ::SireMol::AtomProperty< double >::*size_function_type)( ) const;
size_function_type size_function_value( &::SireMol::AtomProperty< double >::size );
AtomFloatProperty_exposer.def(
"size"
, size_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toString
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QString ( ::SireMol::AtomProperty< double >::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireMol::AtomProperty< double >::toString );
AtomFloatProperty_exposer.def(
"toString"
, toString_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVariant
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< double >::*toVariant_function_type)( ) const;
toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< double >::toVariant );
AtomFloatProperty_exposer.def(
"toVariant"
, toVariant_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVector
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector );
AtomFloatProperty_exposer.def(
"toVector"
, toVector_function_value
, "" );
}
{ //::SireMol::AtomProperty< double >::toVector
typedef SireMol::AtomProperty< double > exported_class_t;
typedef ::QVector< double > ( ::SireMol::AtomProperty< double >::*toVector_function_type)( ::SireMol::AtomSelection const & ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< double >::toVector );
AtomFloatProperty_exposer.def(
"toVector"
, toVector_function_value
, ( bp::arg("selection") )
, "" );
}
{ //::SireMol::AtomProperty< double >::typeName
typedef SireMol::AtomProperty< double > exported_class_t;
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::AtomProperty< double >::typeName );
AtomFloatProperty_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
AtomFloatProperty_exposer.staticmethod( "fromVariant" );
AtomFloatProperty_exposer.staticmethod( "typeName" );
AtomFloatProperty_exposer.def( "__copy__", &__copy__);
AtomFloatProperty_exposer.def( "__deepcopy__", &__copy__);
AtomFloatProperty_exposer.def( "clone", &__copy__);
AtomFloatProperty_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<double> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomFloatProperty_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<double> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomFloatProperty_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<double> > );
AtomFloatProperty_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<double> > );
AtomFloatProperty_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<double> > );
}
}
void register_CLJBoxes_class(){
{ //::SireMM::CLJBoxes
typedef bp::class_< SireMM::CLJBoxes > CLJBoxes_exposer_t;
CLJBoxes_exposer_t CLJBoxes_exposer = CLJBoxes_exposer_t( "CLJBoxes", bp::init< >() );
bp::scope CLJBoxes_scope( CLJBoxes_exposer );
CLJBoxes_exposer.def( bp::init< SireUnits::Dimension::Length >(( bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const & >(( bp::arg("atoms") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const & >(( bp::arg("atoms0"), bp::arg("atoms1") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms"), bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJAtoms const &, SireMM::CLJAtoms const &, SireUnits::Dimension::Length >(( bp::arg("atoms0"), bp::arg("atoms1"), bp::arg("box_size") )) );
CLJBoxes_exposer.def( bp::init< SireMM::CLJBoxes const & >(( bp::arg("other") )) );
{ //::SireMM::CLJBoxes::add
typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*add_function_type )( ::SireMM::CLJAtoms const & ) ;
add_function_type add_function_value( &::SireMM::CLJBoxes::add );
CLJBoxes_exposer.def(
"add"
, add_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::at
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*at_function_type )( ::SireMM::CLJBoxIndex const & ) const;
at_function_type at_function_value( &::SireMM::CLJBoxes::at );
CLJBoxes_exposer.def(
"at"
, at_function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::atoms
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ) const;
atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms );
CLJBoxes_exposer.def(
"atoms"
, atoms_function_value );
}
{ //::SireMM::CLJBoxes::atoms
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*atoms_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const;
atoms_function_type atoms_function_value( &::SireMM::CLJBoxes::atoms );
CLJBoxes_exposer.def(
"atoms"
, atoms_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( int ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("i") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMM::CLJBoxIndex const & ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("index") ) );
}
{ //::SireMM::CLJBoxes::boxAt
typedef ::SireMM::CLJBox ( ::SireMM::CLJBoxes::*boxAt_function_type )( ::SireMaths::Vector const & ) const;
boxAt_function_type boxAt_function_value( &::SireMM::CLJBoxes::boxAt );
CLJBoxes_exposer.def(
"boxAt"
, boxAt_function_value
, ( bp::arg("coords") ) );
}
{ //::SireMM::CLJBoxes::boxDimensions
typedef ::QVector< SireVol::AABox > ( ::SireMM::CLJBoxes::*boxDimensions_function_type )( ) const;
boxDimensions_function_type boxDimensions_function_value( &::SireMM::CLJBoxes::boxDimensions );
CLJBoxes_exposer.def(
"boxDimensions"
, boxDimensions_function_value );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( int ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("i") ) );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMM::CLJBoxIndex const & ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("index") ) );
}
{ //::SireMM::CLJBoxes::boxDimensionsAt
typedef ::SireVol::AABox ( ::SireMM::CLJBoxes::*boxDimensionsAt_function_type )( ::SireMaths::Vector const & ) const;
boxDimensionsAt_function_type boxDimensionsAt_function_value( &::SireMM::CLJBoxes::boxDimensionsAt );
CLJBoxes_exposer.def(
"boxDimensionsAt"
, boxDimensionsAt_function_value
, ( bp::arg("coords") ) );
}
{ //::SireMM::CLJBoxes::boxes
typedef ::QVector< SireMM::CLJBox > ( ::SireMM::CLJBoxes::*boxes_function_type )( ) const;
boxes_function_type boxes_function_value( &::SireMM::CLJBoxes::boxes );
CLJBoxes_exposer.def(
"boxes"
, boxes_function_value );
}
{ //::SireMM::CLJBoxes::get
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*get_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) const;
get_function_type get_function_value( &::SireMM::CLJBoxes::get );
CLJBoxes_exposer.def(
"get"
, get_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("box0"), bp::arg("box1") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const & ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("space"), bp::arg("box0"), bp::arg("box1") ) );
}
{ //::SireMM::CLJBoxes::getDistance
typedef float ( ::SireMM::CLJBoxes::*getDistance_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxIndex const &,::SireMM::CLJBoxIndex const &,::quint32,::quint32,::quint32 ) const;
getDistance_function_type getDistance_function_value( &::SireMM::CLJBoxes::getDistance );
CLJBoxes_exposer.def(
"getDistance"
, getDistance_function_value
, ( bp::arg("space"), bp::arg("box0"), bp::arg("box1"), bp::arg("nx"), bp::arg("ny"), bp::arg("nz") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJBoxes const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("boxes0"), bp::arg("boxes1"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const & );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1") ) );
}
{ //::SireMM::CLJBoxes::getDistances
typedef ::QVector< SireMM::CLJBoxDistance > ( *getDistances_function_type )( ::SireVol::Space const &,::SireMM::CLJAtoms const &,::SireMM::CLJBoxes const &,::SireUnits::Dimension::Length );
getDistances_function_type getDistances_function_value( &::SireMM::CLJBoxes::getDistances );
CLJBoxes_exposer.def(
"getDistances"
, getDistances_function_value
, ( bp::arg("space"), bp::arg("atoms0"), bp::arg("boxes1"), bp::arg("cutoff") ) );
}
{ //::SireMM::CLJBoxes::getitem
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*getitem_function_type )( ::SireMM::CLJBoxIndex const & ) const;
getitem_function_type getitem_function_value( &::SireMM::CLJBoxes::getitem );
CLJBoxes_exposer.def(
"getitem"
, getitem_function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::isEmpty
typedef bool ( ::SireMM::CLJBoxes::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMM::CLJBoxes::isEmpty );
CLJBoxes_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMM::CLJBoxes::length
typedef ::SireUnits::Dimension::Length ( ::SireMM::CLJBoxes::*length_function_type )( ) const;
length_function_type length_function_value( &::SireMM::CLJBoxes::length );
CLJBoxes_exposer.def(
"length"
, length_function_value );
}
{ //::SireMM::CLJBoxes::nAtoms
typedef int ( ::SireMM::CLJBoxes::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMM::CLJBoxes::nAtoms );
CLJBoxes_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMM::CLJBoxes::nOccupiedBoxes
typedef int ( ::SireMM::CLJBoxes::*nOccupiedBoxes_function_type )( ) const;
nOccupiedBoxes_function_type nOccupiedBoxes_function_value( &::SireMM::CLJBoxes::nOccupiedBoxes );
CLJBoxes_exposer.def(
"nOccupiedBoxes"
, nOccupiedBoxes_function_value );
}
{ //::SireMM::CLJBoxes::occupiedBoxIndicies
typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJBoxes::*occupiedBoxIndicies_function_type )( ) const;
occupiedBoxIndicies_function_type occupiedBoxIndicies_function_value( &::SireMM::CLJBoxes::occupiedBoxIndicies );
CLJBoxes_exposer.def(
"occupiedBoxIndicies"
, occupiedBoxIndicies_function_value );
}
{ //::SireMM::CLJBoxes::occupiedBoxes
typedef ::QVector< SireMM::CLJBoxPtr > const & ( ::SireMM::CLJBoxes::*occupiedBoxes_function_type )( ) const;
occupiedBoxes_function_type occupiedBoxes_function_value( &::SireMM::CLJBoxes::occupiedBoxes );
CLJBoxes_exposer.def(
"occupiedBoxes"
, occupiedBoxes_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
CLJBoxes_exposer.def( bp::self != bp::self );
CLJBoxes_exposer.def( bp::self + bp::self );
{ //::SireMM::CLJBoxes::operator=
typedef ::SireMM::CLJBoxes & ( ::SireMM::CLJBoxes::*assign_function_type )( ::SireMM::CLJBoxes const & ) ;
assign_function_type assign_function_value( &::SireMM::CLJBoxes::operator= );
CLJBoxes_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
CLJBoxes_exposer.def( bp::self == bp::self );
{ //::SireMM::CLJBoxes::operator[]
typedef ::SireMM::CLJAtom ( ::SireMM::CLJBoxes::*__getitem___function_type )( ::SireMM::CLJBoxIndex const & ) const;
__getitem___function_type __getitem___function_value( &::SireMM::CLJBoxes::operator[] );
CLJBoxes_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("idx") ) );
}
{ //::SireMM::CLJBoxes::remove
typedef void ( ::SireMM::CLJBoxes::*remove_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ;
remove_function_type remove_function_value( &::SireMM::CLJBoxes::remove );
CLJBoxes_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::squeeze
typedef ::SireMM::CLJBoxes ( ::SireMM::CLJBoxes::*squeeze_function_type )( ) const;
squeeze_function_type squeeze_function_value( &::SireMM::CLJBoxes::squeeze );
CLJBoxes_exposer.def(
"squeeze"
, squeeze_function_value );
}
{ //::SireMM::CLJBoxes::take
typedef ::SireMM::CLJAtoms ( ::SireMM::CLJBoxes::*take_function_type )( ::QVector< SireMM::CLJBoxIndex > const & ) ;
take_function_type take_function_value( &::SireMM::CLJBoxes::take );
CLJBoxes_exposer.def(
"take"
, take_function_value
, ( bp::arg("atoms") ) );
}
{ //::SireMM::CLJBoxes::toString
typedef ::QString ( ::SireMM::CLJBoxes::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMM::CLJBoxes::toString );
CLJBoxes_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMM::CLJBoxes::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::CLJBoxes::typeName );
CLJBoxes_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::CLJBoxes::what
typedef char const * ( ::SireMM::CLJBoxes::*what_function_type )( ) const;
what_function_type what_function_value( &::SireMM::CLJBoxes::what );
CLJBoxes_exposer.def(
"what"
, what_function_value );
}
CLJBoxes_exposer.staticmethod( "getDistances" );
CLJBoxes_exposer.staticmethod( "typeName" );
CLJBoxes_exposer.def( "__copy__", &__copy__);
CLJBoxes_exposer.def( "__deepcopy__", &__copy__);
CLJBoxes_exposer.def( "clone", &__copy__);
CLJBoxes_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJBoxes >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJBoxes_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJBoxes >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJBoxes_exposer.def( "__str__", &__str__< ::SireMM::CLJBoxes > );
CLJBoxes_exposer.def( "__repr__", &__str__< ::SireMM::CLJBoxes > );
CLJBoxes_exposer.def( "__getitem__", &::SireMM::CLJBoxes::getitem );
}
}
void register_AtomCoords_class(){
{ //::SireMol::AtomProperty< SireMaths::Vector >
typedef bp::class_< SireMol::AtomProperty< SireMaths::Vector >, bp::bases< SireMol::AtomProp, SireMol::MolViewProperty, SireBase::Property > > AtomCoords_exposer_t;
AtomCoords_exposer_t AtomCoords_exposer = AtomCoords_exposer_t( "AtomCoords", bp::init< >() );
bp::scope AtomCoords_scope( AtomCoords_exposer );
AtomCoords_exposer.def( bp::init< SireMol::MoleculeInfoData const & >(( bp::arg("molinfo") )) );
AtomCoords_exposer.def( bp::init< SireVol::CoordGroup const & >(( bp::arg("cgroup") )) );
AtomCoords_exposer.def( bp::init< SireVol::CoordGroupArray const & >(( bp::arg("cgroups") )) );
AtomCoords_exposer.def( bp::init< SireMol::AtomProperty< SireMaths::Vector > const & >(( bp::arg("other") )) );
{ //::SireMol::AtomProperty< SireMaths::Vector >::array
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroupArray const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*array_function_type )( ) const;
array_function_type array_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::array );
AtomCoords_exposer.def(
"array"
, array_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assertCanConvert_function_type )( ::QVariant const & ) const;
assertCanConvert_function_type assertCanConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assertCanConvert );
AtomCoords_exposer.def(
"assertCanConvert"
, assertCanConvert_function_value
, ( bp::arg("value") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::assignFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*assignFrom_function_type )( ::SireMol::AtomProperty< QVariant > const & ) ;
assignFrom_function_type assignFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::assignFrom );
AtomCoords_exposer.def(
"assignFrom"
, assignFrom_function_value
, ( bp::arg("values") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::at
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGIdx ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at );
AtomCoords_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::at
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*at_function_type )( ::SireMol::CGAtomIdx const & ) const;
at_function_type at_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::at );
AtomCoords_exposer.def(
"at"
, at_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::canConvert
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*canConvert_function_type )( ::QVariant const & ) const;
canConvert_function_type canConvert_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::canConvert );
AtomCoords_exposer.def(
"canConvert"
, canConvert_function_value
, ( bp::arg("value") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame );
AtomCoords_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("from_frame"), bp::arg("to_frame") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::changeFrame
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*changeFrame_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::changeFrame );
AtomCoords_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("cgidx"), bp::arg("from_frame"), bp::arg("to_frame") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom );
AtomCoords_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::copyFrom
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*copyFrom_function_type )( ::QVector< SireMaths::Vector > const &,::SireMol::AtomSelection const & ) ;
copyFrom_function_type copyFrom_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::copyFrom );
AtomCoords_exposer.def(
"copyFrom"
, copyFrom_function_value
, ( bp::arg("values"), bp::arg("selection") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::count
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*count_function_type )( ) const;
count_function_type count_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::count );
AtomCoords_exposer.def(
"count"
, count_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::divide
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divide_function_type )( ::QVector< SireMol::AtomSelection > const & ) const;
divide_function_type divide_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divide );
AtomCoords_exposer.def(
"divide"
, divide_function_value
, ( bp::arg("beads") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*divideByResidue_function_type )( ::SireMol::MoleculeInfoData const & ) const;
divideByResidue_function_type divideByResidue_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::divideByResidue );
AtomCoords_exposer.def(
"divideByResidue"
, divideByResidue_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::fromVariant
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > ( *fromVariant_function_type )( ::SireMol::AtomProperty< QVariant > const & );
fromVariant_function_type fromVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::fromVariant );
AtomCoords_exposer.def(
"fromVariant"
, fromVariant_function_value
, ( bp::arg("variant") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::get
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGIdx ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get );
AtomCoords_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::get
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*get_function_type )( ::SireMol::CGAtomIdx const & ) const;
get_function_type get_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::get );
AtomCoords_exposer.def(
"get"
, get_function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef bool ( ::SireMol::AtomProperty< SireMaths::Vector >::*isCompatibleWith_function_type )( ::SireMol::MoleculeInfoData const & ) const;
isCompatibleWith_function_type isCompatibleWith_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::isCompatibleWith );
AtomCoords_exposer.def(
"isCompatibleWith"
, isCompatibleWith_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::mapInto
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto );
AtomCoords_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("axes") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::mapInto
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*mapInto_function_type )( ::SireMol::CGIdx,::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::mapInto );
AtomCoords_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("cgidx"), bp::arg("axes") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::merge
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireBase::PropertyPtr ( ::SireMol::AtomProperty< SireMaths::Vector >::*merge_function_type )( ::SireMol::MoleculeInfoData const & ) const;
merge_function_type merge_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::merge );
AtomCoords_exposer.def(
"merge"
, merge_function_value
, ( bp::arg("molinfo") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms );
AtomCoords_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nAtoms
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nAtoms_function_type )( ::SireMol::CGIdx ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nAtoms );
AtomCoords_exposer.def(
"nAtoms"
, nAtoms_function_value
, ( bp::arg("cgidx") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*nCutGroups_function_type )( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::nCutGroups );
AtomCoords_exposer.def(
"nCutGroups"
, nCutGroups_function_value );
}
AtomCoords_exposer.def( bp::self != bp::self );
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator=
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*assign_function_type )( ::SireMol::AtomProperty< SireMaths::Vector > const & ) ;
assign_function_type assign_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator= );
AtomCoords_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
AtomCoords_exposer.def( bp::self == bp::self );
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator[]
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireVol::CoordGroup const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGIdx ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] );
AtomCoords_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::operator[]
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMaths::Vector const & ( ::SireMol::AtomProperty< SireMaths::Vector >::*__getitem___function_type )( ::SireMol::CGAtomIdx const & ) const;
__getitem___function_type __getitem___function_value( &::SireMol::AtomProperty< SireMaths::Vector >::operator[] );
AtomCoords_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("cgatomidx") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("quat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("rotmat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("cgidx"), bp::arg("quat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::rotate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*rotate_function_type )( ::SireMol::CGIdx,::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::rotate );
AtomCoords_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("cgidx"), bp::arg("rotmat"), bp::arg("point") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGAtomIdx const &,::SireMaths::Vector const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgatomidx"), bp::arg("value") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::QVector< SireMaths::Vector > const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("values") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::set
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< SireMaths::Vector > & ( ::SireMol::AtomProperty< SireMaths::Vector >::*set_function_type )( ::SireMol::CGIdx,::SireVol::CoordGroup const & ) ;
set_function_type set_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::set );
AtomCoords_exposer.def(
"set"
, set_function_value
, ( bp::arg("cgidx"), bp::arg("cgroup") )
, bp::return_self< >() );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::size
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef int ( ::SireMol::AtomProperty< SireMaths::Vector >::*size_function_type )( ) const;
size_function_type size_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::size );
AtomCoords_exposer.def(
"size"
, size_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVariant
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::SireMol::AtomProperty< QVariant > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVariant_function_type )( ) const;
toVariant_function_type toVariant_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVariant );
AtomCoords_exposer.def(
"toVariant"
, toVariant_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVector
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector );
AtomCoords_exposer.def(
"toVector"
, toVector_function_value );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::toVector
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef ::QVector< SireMaths::Vector > ( ::SireMol::AtomProperty< SireMaths::Vector >::*toVector_function_type )( ::SireMol::AtomSelection const & ) const;
toVector_function_type toVector_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::toVector );
AtomCoords_exposer.def(
"toVector"
, toVector_function_value
, ( bp::arg("selection") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::transform
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform );
AtomCoords_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("t") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::transform
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*transform_function_type )( ::SireMol::CGIdx,::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::transform );
AtomCoords_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("cgidx"), bp::arg("t") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::translate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate );
AtomCoords_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("delta") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::translate
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef void ( ::SireMol::AtomProperty< SireMaths::Vector >::*translate_function_type )( ::SireMol::CGIdx,::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::translate );
AtomCoords_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("cgidx"), bp::arg("delta") ) );
}
{ //::SireMol::AtomProperty< SireMaths::Vector >::typeName
typedef SireMol::AtomProperty< SireMaths::Vector > exported_class_t;
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::AtomProperty< SireMaths::Vector >::typeName );
AtomCoords_exposer.def(
"typeName"
, typeName_function_value );
}
AtomCoords_exposer.staticmethod( "fromVariant" );
AtomCoords_exposer.staticmethod( "typeName" );
AtomCoords_exposer.def( "__copy__", &__copy__);
AtomCoords_exposer.def( "__deepcopy__", &__copy__);
AtomCoords_exposer.def( "clone", &__copy__);
AtomCoords_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomCoords_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::AtomProperty<SireMaths::Vector> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
AtomCoords_exposer.def( "__str__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > );
AtomCoords_exposer.def( "__repr__", &__str__< ::SireMol::AtomProperty<SireMaths::Vector> > );
AtomCoords_exposer.def( "__len__", &__len_size< ::SireMol::AtomProperty<SireMaths::Vector> > );
}
}
void register_PartialMolecule_class(){
{ //::SireMol::PartialMolecule
typedef bp::class_< SireMol::PartialMolecule, bp::bases< SireMol::MoleculeView, SireBase::Property > > PartialMolecule_exposer_t;
PartialMolecule_exposer_t PartialMolecule_exposer = PartialMolecule_exposer_t( "PartialMolecule", bp::init< >() );
bp::scope PartialMolecule_scope( PartialMolecule_exposer );
PartialMolecule_exposer.def( bp::init< SireMol::MoleculeView const & >(( bp::arg("molecule") )) );
PartialMolecule_exposer.def( bp::init< SireMol::MoleculeData const &, SireMol::AtomSelection const & >(( bp::arg("moldata"), bp::arg("atoms") )) );
PartialMolecule_exposer.def( bp::init< SireMol::PartialMolecule const & >(( bp::arg("other") )) );
{ //::SireMol::PartialMolecule::evaluate
typedef ::SireMol::Evaluator ( ::SireMol::PartialMolecule::*evaluate_function_type )( ) const;
evaluate_function_type evaluate_function_value( &::SireMol::PartialMolecule::evaluate );
PartialMolecule_exposer.def(
"evaluate"
, evaluate_function_value );
}
{ //::SireMol::PartialMolecule::extract
typedef ::SireMol::PartialMolecule ( ::SireMol::PartialMolecule::*extract_function_type )( ) const;
extract_function_type extract_function_value( &::SireMol::PartialMolecule::extract );
PartialMolecule_exposer.def(
"extract"
, extract_function_value );
}
{ //::SireMol::PartialMolecule::hasMetadata
typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata );
PartialMolecule_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("metakey") ) );
}
{ //::SireMol::PartialMolecule::hasMetadata
typedef bool ( ::SireMol::PartialMolecule::*hasMetadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
hasMetadata_function_type hasMetadata_function_value( &::SireMol::PartialMolecule::hasMetadata );
PartialMolecule_exposer.def(
"hasMetadata"
, hasMetadata_function_value
, ( bp::arg("key"), bp::arg("metakey") ) );
}
{ //::SireMol::PartialMolecule::hasProperty
typedef bool ( ::SireMol::PartialMolecule::*hasProperty_function_type )( ::SireBase::PropertyName const & ) const;
hasProperty_function_type hasProperty_function_value( &::SireMol::PartialMolecule::hasProperty );
PartialMolecule_exposer.def(
"hasProperty"
, hasProperty_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::PartialMolecule::isEmpty
typedef bool ( ::SireMol::PartialMolecule::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::PartialMolecule::isEmpty );
PartialMolecule_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMol::PartialMolecule::metadata
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const & ) const;
metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata );
PartialMolecule_exposer.def(
"metadata"
, metadata_function_value
, ( bp::arg("metakey") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::metadata
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*metadata_function_type )( ::SireBase::PropertyName const &,::SireBase::PropertyName const & ) const;
metadata_function_type metadata_function_value( &::SireMol::PartialMolecule::metadata );
PartialMolecule_exposer.def(
"metadata"
, metadata_function_value
, ( bp::arg("key"), bp::arg("metakey") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::metadataKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys );
PartialMolecule_exposer.def(
"metadataKeys"
, metadataKeys_function_value );
}
{ //::SireMol::PartialMolecule::metadataKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*metadataKeys_function_type )( ::SireBase::PropertyName const & ) const;
metadataKeys_function_type metadataKeys_function_value( &::SireMol::PartialMolecule::metadataKeys );
PartialMolecule_exposer.def(
"metadataKeys"
, metadataKeys_function_value
, ( bp::arg("key") ) );
}
{ //::SireMol::PartialMolecule::move
typedef ::SireMol::Mover< SireMol::PartialMolecule > ( ::SireMol::PartialMolecule::*move_function_type )( ) const;
move_function_type move_function_value( &::SireMol::PartialMolecule::move );
PartialMolecule_exposer.def(
"move"
, move_function_value );
}
{ //::SireMol::PartialMolecule::nAtoms
typedef int ( ::SireMol::PartialMolecule::*nAtoms_function_type )( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::PartialMolecule::nAtoms );
PartialMolecule_exposer.def(
"nAtoms"
, nAtoms_function_value );
}
{ //::SireMol::PartialMolecule::nChains
typedef int ( ::SireMol::PartialMolecule::*nChains_function_type )( ) const;
nChains_function_type nChains_function_value( &::SireMol::PartialMolecule::nChains );
PartialMolecule_exposer.def(
"nChains"
, nChains_function_value );
}
{ //::SireMol::PartialMolecule::nCutGroups
typedef int ( ::SireMol::PartialMolecule::*nCutGroups_function_type )( ) const;
nCutGroups_function_type nCutGroups_function_value( &::SireMol::PartialMolecule::nCutGroups );
PartialMolecule_exposer.def(
"nCutGroups"
, nCutGroups_function_value );
}
{ //::SireMol::PartialMolecule::nResidues
typedef int ( ::SireMol::PartialMolecule::*nResidues_function_type )( ) const;
nResidues_function_type nResidues_function_value( &::SireMol::PartialMolecule::nResidues );
PartialMolecule_exposer.def(
"nResidues"
, nResidues_function_value );
}
{ //::SireMol::PartialMolecule::nSegments
typedef int ( ::SireMol::PartialMolecule::*nSegments_function_type )( ) const;
nSegments_function_type nSegments_function_value( &::SireMol::PartialMolecule::nSegments );
PartialMolecule_exposer.def(
"nSegments"
, nSegments_function_value );
}
{ //::SireMol::PartialMolecule::name
typedef ::SireMol::MolName const & ( ::SireMol::PartialMolecule::*name_function_type )( ) const;
name_function_type name_function_value( &::SireMol::PartialMolecule::name );
PartialMolecule_exposer.def(
"name"
, name_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::number
typedef ::SireMol::MolNum ( ::SireMol::PartialMolecule::*number_function_type )( ) const;
number_function_type number_function_value( &::SireMol::PartialMolecule::number );
PartialMolecule_exposer.def(
"number"
, number_function_value );
}
PartialMolecule_exposer.def( bp::self != bp::self );
{ //::SireMol::PartialMolecule::operator=
typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::MoleculeView const & ) ;
assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= );
PartialMolecule_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
{ //::SireMol::PartialMolecule::operator=
typedef ::SireMol::PartialMolecule & ( ::SireMol::PartialMolecule::*assign_function_type )( ::SireMol::PartialMolecule const & ) ;
assign_function_type assign_function_value( &::SireMol::PartialMolecule::operator= );
PartialMolecule_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
PartialMolecule_exposer.def( bp::self == bp::self );
{ //::SireMol::PartialMolecule::property
typedef ::SireBase::Property const & ( ::SireMol::PartialMolecule::*property_function_type )( ::SireBase::PropertyName const & ) const;
property_function_type property_function_value( &::SireMol::PartialMolecule::property );
PartialMolecule_exposer.def(
"property"
, property_function_value
, ( bp::arg("key") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::PartialMolecule::propertyKeys
typedef ::QStringList ( ::SireMol::PartialMolecule::*propertyKeys_function_type )( ) const;
propertyKeys_function_type propertyKeys_function_value( &::SireMol::PartialMolecule::propertyKeys );
PartialMolecule_exposer.def(
"propertyKeys"
, propertyKeys_function_value );
}
{ //::SireMol::PartialMolecule::selectedAll
typedef bool ( ::SireMol::PartialMolecule::*selectedAll_function_type )( ) const;
selectedAll_function_type selectedAll_function_value( &::SireMol::PartialMolecule::selectedAll );
PartialMolecule_exposer.def(
"selectedAll"
, selectedAll_function_value );
}
{ //::SireMol::PartialMolecule::selection
typedef ::SireMol::AtomSelection ( ::SireMol::PartialMolecule::*selection_function_type )( ) const;
selection_function_type selection_function_value( &::SireMol::PartialMolecule::selection );
PartialMolecule_exposer.def(
"selection"
, selection_function_value );
}
{ //::SireMol::PartialMolecule::toString
typedef ::QString ( ::SireMol::PartialMolecule::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMol::PartialMolecule::toString );
PartialMolecule_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMol::PartialMolecule::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::PartialMolecule::typeName );
PartialMolecule_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMol::PartialMolecule::version
typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ) const;
version_function_type version_function_value( &::SireMol::PartialMolecule::version );
PartialMolecule_exposer.def(
"version"
, version_function_value );
}
{ //::SireMol::PartialMolecule::version
typedef ::quint64 ( ::SireMol::PartialMolecule::*version_function_type )( ::SireBase::PropertyName const & ) const;
version_function_type version_function_value( &::SireMol::PartialMolecule::version );
PartialMolecule_exposer.def(
"version"
, version_function_value
, ( bp::arg("key") ) );
}
PartialMolecule_exposer.staticmethod( "typeName" );
PartialMolecule_exposer.def( "__copy__", &__copy__);
PartialMolecule_exposer.def( "__deepcopy__", &__copy__);
PartialMolecule_exposer.def( "clone", &__copy__);
PartialMolecule_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::PartialMolecule >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PartialMolecule_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::PartialMolecule >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PartialMolecule_exposer.def( "__str__", &__str__< ::SireMol::PartialMolecule > );
PartialMolecule_exposer.def( "__repr__", &__str__< ::SireMol::PartialMolecule > );
}
}
void register_ResStructureEditor_class(){
{ //::SireMol::ResStructureEditor
typedef bp::class_< SireMol::ResStructureEditor > ResStructureEditor_exposer_t;
ResStructureEditor_exposer_t ResStructureEditor_exposer = ResStructureEditor_exposer_t( "ResStructureEditor", "This is the class used to edit a residues structure\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") );
bp::scope ResStructureEditor_scope( ResStructureEditor_exposer );
ResStructureEditor_exposer.def( bp::init< SireMol::Residue const & >(( bp::arg("residue") ), "Construct an editor to edit the structure of a copy of the\nresidue residue") );
ResStructureEditor_exposer.def( bp::init< SireMol::StructureEditor const &, SireMol::ResIdx >(( bp::arg("data"), bp::arg("residx") ), "Construct an editor to edit the residue at index residx in the\neditor whose data is in data\nThrow: SireError::invalid_index\n") );
ResStructureEditor_exposer.def( bp::init< SireMol::ResStructureEditor const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireMol::ResStructureEditor::add
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*add_function_type)( ::SireMol::AtomName const & ) ;
add_function_type add_function_value( &::SireMol::ResStructureEditor::add );
ResStructureEditor_exposer.def(
"add"
, add_function_value
, ( bp::arg("atomname") )
, "Add a new atom called name to this residue - this returns\nan editor that can be used to further edit this atom" );
}
{ //::SireMol::ResStructureEditor::add
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*add_function_type)( ::SireMol::AtomNum ) ;
add_function_type add_function_value( &::SireMol::ResStructureEditor::add );
ResStructureEditor_exposer.def(
"add"
, add_function_value
, ( bp::arg("atomnum") )
, "Add a new atom with the number number to this residue - this\nreturns an editor that can be used to further edit this atom" );
}
{ //::SireMol::ResStructureEditor::atom
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*atom_function_type)( int ) ;
atom_function_type atom_function_value( &::SireMol::ResStructureEditor::atom );
ResStructureEditor_exposer.def(
"atom"
, atom_function_value
, ( bp::arg("i") )
, "Return an editor for the ith atom in this residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::atom
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*atom_function_type)( ::SireMol::AtomID const & ) ;
atom_function_type atom_function_value( &::SireMol::ResStructureEditor::atom );
ResStructureEditor_exposer.def(
"atom"
, atom_function_value
, ( bp::arg("atomid") )
, "Return an editor for the atom with ID == atomid in\nthis residue\nThrow: SireMol::missing_atom\nThrow: SireMol::duplicate_atom\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::chain
typedef ::SireMol::ChainStructureEditor ( ::SireMol::ResStructureEditor::*chain_function_type)( ) ;
chain_function_type chain_function_value( &::SireMol::ResStructureEditor::chain );
ResStructureEditor_exposer.def(
"chain"
, chain_function_value
, "Return an editor for the chain that contains this residue" );
}
{ //::SireMol::ResStructureEditor::commit
typedef ::SireMol::Residue ( ::SireMol::ResStructureEditor::*commit_function_type)( ) const;
commit_function_type commit_function_value( &::SireMol::ResStructureEditor::commit );
ResStructureEditor_exposer.def(
"commit"
, commit_function_value
, "Commit the changes made by this editor and return the updated residue" );
}
{ //::SireMol::ResStructureEditor::index
typedef ::SireMol::ResIdx ( ::SireMol::ResStructureEditor::*index_function_type)( ) const;
index_function_type index_function_value( &::SireMol::ResStructureEditor::index );
ResStructureEditor_exposer.def(
"index"
, index_function_value
, "Return the index of this residue in the molecule" );
}
{ //::SireMol::ResStructureEditor::molecule
typedef ::SireMol::MolStructureEditor ( ::SireMol::ResStructureEditor::*molecule_function_type)( ) ;
molecule_function_type molecule_function_value( &::SireMol::ResStructureEditor::molecule );
ResStructureEditor_exposer.def(
"molecule"
, molecule_function_value
, "Return an editor for the molecule that contains this residue" );
}
{ //::SireMol::ResStructureEditor::nAtoms
typedef int ( ::SireMol::ResStructureEditor::*nAtoms_function_type)( ) const;
nAtoms_function_type nAtoms_function_value( &::SireMol::ResStructureEditor::nAtoms );
ResStructureEditor_exposer.def(
"nAtoms"
, nAtoms_function_value
, "Return the number of atoms in this residue - this may be zero" );
}
{ //::SireMol::ResStructureEditor::name
typedef ::SireMol::ResName const & ( ::SireMol::ResStructureEditor::*name_function_type)( ) const;
name_function_type name_function_value( &::SireMol::ResStructureEditor::name );
ResStructureEditor_exposer.def(
"name"
, name_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the name of this residue" );
}
{ //::SireMol::ResStructureEditor::number
typedef ::SireMol::ResNum ( ::SireMol::ResStructureEditor::*number_function_type)( ) const;
number_function_type number_function_value( &::SireMol::ResStructureEditor::number );
ResStructureEditor_exposer.def(
"number"
, number_function_value
, "Return the number of this residue" );
}
{ //::SireMol::ResStructureEditor::operator=
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*assign_function_type)( ::SireMol::Residue const & ) ;
assign_function_type assign_function_value( &::SireMol::ResStructureEditor::operator= );
ResStructureEditor_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("residue") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::ResStructureEditor::operator=
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*assign_function_type)( ::SireMol::ResStructureEditor const & ) ;
assign_function_type assign_function_value( &::SireMol::ResStructureEditor::operator= );
ResStructureEditor_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
{ //::SireMol::ResStructureEditor::reindex
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*reindex_function_type)( ::SireMol::ResIdx ) ;
reindex_function_type reindex_function_value( &::SireMol::ResStructureEditor::reindex );
ResStructureEditor_exposer.def(
"reindex"
, reindex_function_value
, ( bp::arg("index") )
, bp::return_self< >()
, "Change the index of this residue to newidx. If this\nis larger than the number of residues in the molecule\nthen this residue is moved to the end" );
}
{ //::SireMol::ResStructureEditor::remove
typedef ::SireMol::MolStructureEditor ( ::SireMol::ResStructureEditor::*remove_function_type)( ) ;
remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove );
ResStructureEditor_exposer.def(
"remove"
, remove_function_value
, bp::return_self< >()
, "Completely remove this residue from the molecule - this returns\na MolStructureEditor that can be used to further edit the molecule" );
}
{ //::SireMol::ResStructureEditor::remove
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*remove_function_type)( ::SireMol::AtomID const & ) ;
remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove );
ResStructureEditor_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("atomid") )
, bp::return_self< >()
, "Remove all atoms with ID atomid from this residue\nThrow: SireMol::missing_atom\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::remove
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*remove_function_type)( int ) ;
remove_function_type remove_function_value( &::SireMol::ResStructureEditor::remove );
ResStructureEditor_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("i") )
, bp::return_self< >()
, "Remove the ith atom from this residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::rename
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*rename_function_type)( ::SireMol::ResName const & ) ;
rename_function_type rename_function_value( &::SireMol::ResStructureEditor::rename );
ResStructureEditor_exposer.def(
"rename"
, rename_function_value
, ( bp::arg("name") )
, bp::return_self< >()
, "Rename this residue to newname" );
}
{ //::SireMol::ResStructureEditor::renumber
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*renumber_function_type)( ::SireMol::ResNum ) ;
renumber_function_type renumber_function_value( &::SireMol::ResStructureEditor::renumber );
ResStructureEditor_exposer.def(
"renumber"
, renumber_function_value
, ( bp::arg("number") )
, bp::return_self< >()
, "Renumber this residue to newnum" );
}
{ //::SireMol::ResStructureEditor::reparent
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*reparent_function_type)( ::SireMol::ChainID const & ) ;
reparent_function_type reparent_function_value( &::SireMol::ResStructureEditor::reparent );
ResStructureEditor_exposer.def(
"reparent"
, reparent_function_value
, ( bp::arg("chainid") )
, bp::return_self< >()
, "Move this residue into the chain with ID chainid\nThrow: SireMol::missing_chain\nThrow: SireMol::duplicate_chain\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::select
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*select_function_type)( int ) ;
select_function_type select_function_value( &::SireMol::ResStructureEditor::select );
ResStructureEditor_exposer.def(
"select"
, select_function_value
, ( bp::arg("i") )
, "Return an editor for the ith atom in this residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::select
typedef ::SireMol::AtomStructureEditor ( ::SireMol::ResStructureEditor::*select_function_type)( ::SireMol::AtomID const & ) ;
select_function_type select_function_value( &::SireMol::ResStructureEditor::select );
ResStructureEditor_exposer.def(
"select"
, select_function_value
, ( bp::arg("atomid") )
, "Return an editor for the atom with ID == atomid in\nthis residue\nThrow: SireMol::missing_atom\nThrow: SireMol::duplicate_atom\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::selectedAll
typedef bool ( ::SireMol::ResStructureEditor::*selectedAll_function_type)( ) const;
selectedAll_function_type selectedAll_function_value( &::SireMol::ResStructureEditor::selectedAll );
ResStructureEditor_exposer.def(
"selectedAll"
, selectedAll_function_value
, "Is this editor editing the entire molecule?" );
}
{ //::SireMol::ResStructureEditor::toString
typedef ::QString ( ::SireMol::ResStructureEditor::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireMol::ResStructureEditor::toString );
ResStructureEditor_exposer.def(
"toString"
, toString_function_value
, "Return a string representation of this editor" );
}
{ //::SireMol::ResStructureEditor::transfer
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transfer_function_type)( ::SireMol::AtomID const &,::SireMol::ResID const & ) ;
transfer_function_type transfer_function_value( &::SireMol::ResStructureEditor::transfer );
ResStructureEditor_exposer.def(
"transfer"
, transfer_function_value
, ( bp::arg("atomid"), bp::arg("resid") )
, bp::return_self< >()
, "Transfer all atoms that match the ID atomid into the residue that\nmatches the ID resid\nThrow: SireMol::missing_atom\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::transfer
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transfer_function_type)( int,::SireMol::ResID const & ) ;
transfer_function_type transfer_function_value( &::SireMol::ResStructureEditor::transfer );
ResStructureEditor_exposer.def(
"transfer"
, transfer_function_value
, ( bp::arg("i"), bp::arg("resid") )
, bp::return_self< >()
, "Transfer the ith atom from this residue into the residue that\nmatches the ID resid\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::transferAll
typedef ::SireMol::ResStructureEditor & ( ::SireMol::ResStructureEditor::*transferAll_function_type)( ::SireMol::ResID const & ) ;
transferAll_function_type transferAll_function_value( &::SireMol::ResStructureEditor::transferAll );
ResStructureEditor_exposer.def(
"transferAll"
, transferAll_function_value
, ( bp::arg("resid") )
, bp::return_self< >()
, "Transfer all atoms from this residue into the residue with ID resid\nThrow: SireMol::missing_residue\nThrow: SireMol::duplicate_residue\nThrow: SireError::invalid_index\n" );
}
{ //::SireMol::ResStructureEditor::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::ResStructureEditor::typeName );
ResStructureEditor_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireMol::ResStructureEditor::what
typedef char const * ( ::SireMol::ResStructureEditor::*what_function_type)( ) const;
what_function_type what_function_value( &::SireMol::ResStructureEditor::what );
ResStructureEditor_exposer.def(
"what"
, what_function_value
, "" );
}
ResStructureEditor_exposer.staticmethod( "typeName" );
ResStructureEditor_exposer.def( "__copy__", &__copy__);
ResStructureEditor_exposer.def( "__deepcopy__", &__copy__);
ResStructureEditor_exposer.def( "clone", &__copy__);
ResStructureEditor_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::ResStructureEditor >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
ResStructureEditor_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::ResStructureEditor >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
ResStructureEditor_exposer.def( "__str__", &__str__< ::SireMol::ResStructureEditor > );
ResStructureEditor_exposer.def( "__repr__", &__str__< ::SireMol::ResStructureEditor > );
}
}
