void register_Molecules_class(){
{ //::SireMol::Molecules
typedef bp::class_< SireMol::Molecules, bp::bases< SireBase::Property > > Molecules_exposer_t;
Molecules_exposer_t Molecules_exposer = Molecules_exposer_t( "Molecules", bp::init< >() );
bp::scope Molecules_scope( Molecules_exposer );
Molecules_exposer.def( bp::init< SireMol::MoleculeView const & >(( bp::arg("molecule") )) );
Molecules_exposer.def( bp::init< SireMol::ViewsOfMol const & >(( bp::arg("molviews") )) );
Molecules_exposer.def( bp::init< SireMol::Molecules const & >(( bp::arg("other") )) );
{ //::SireMol::Molecules::add
typedef void ( ::SireMol::Molecules::*add_function_type )( ::SireMol::MoleculeView const & ) ;
add_function_type add_function_value( &::SireMol::Molecules::add );
Molecules_exposer.def(
"add"
, add_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::add
typedef void ( ::SireMol::Molecules::*add_function_type )( ::SireMol::ViewsOfMol const & ) ;
add_function_type add_function_value( &::SireMol::Molecules::add );
Molecules_exposer.def(
"add"
, add_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::add
typedef void ( ::SireMol::Molecules::*add_function_type )( ::SireMol::Molecules const & ) ;
add_function_type add_function_value( &::SireMol::Molecules::add );
Molecules_exposer.def(
"add"
, add_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::addIfUnique
typedef bool ( ::SireMol::Molecules::*addIfUnique_function_type )( ::SireMol::MoleculeView const & ) ;
addIfUnique_function_type addIfUnique_function_value( &::SireMol::Molecules::addIfUnique );
Molecules_exposer.def(
"addIfUnique"
, addIfUnique_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::addIfUnique
typedef ::SireMol::ViewsOfMol ( ::SireMol::Molecules::*addIfUnique_function_type )( ::SireMol::ViewsOfMol const & ) ;
addIfUnique_function_type addIfUnique_function_value( &::SireMol::Molecules::addIfUnique );
Molecules_exposer.def(
"addIfUnique"
, addIfUnique_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::addIfUnique
typedef ::QList< SireMol::ViewsOfMol > ( ::SireMol::Molecules::*addIfUnique_function_type )( ::SireMol::Molecules const & ) ;
addIfUnique_function_type addIfUnique_function_value( &::SireMol::Molecules::addIfUnique );
Molecules_exposer.def(
"addIfUnique"
, addIfUnique_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::assertContains
typedef void ( ::SireMol::Molecules::*assertContains_function_type )( ::SireMol::MolNum ) const;
assertContains_function_type assertContains_function_value( &::SireMol::Molecules::assertContains );
Molecules_exposer.def(
"assertContains"
, assertContains_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMol::Molecules::at
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*at_function_type )( ::SireMol::MolNum ) const;
at_function_type at_function_value( &::SireMol::Molecules::at );
Molecules_exposer.def(
"at"
, at_function_value
, ( bp::arg("molnum") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::at
typedef ::SireMol::PartialMolecule ( ::SireMol::Molecules::*at_function_type )( ::boost::tuples::tuple< SireMol::MolNum, SireID::Index, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type > const & ) const;
at_function_type at_function_value( &::SireMol::Molecules::at );
Molecules_exposer.def(
"at"
, at_function_value
, ( bp::arg("viewidx") ) );
}
{ //::SireMol::Molecules::at
typedef ::SireMol::PartialMolecule ( ::SireMol::Molecules::*at_function_type )( ::SireMol::MolNum,int ) const;
at_function_type at_function_value( &::SireMol::Molecules::at );
Molecules_exposer.def(
"at"
, at_function_value
, ( bp::arg("molnum"), bp::arg("idx") ) );
}
{ //::SireMol::Molecules::back
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*back_function_type )( ) const;
back_function_type back_function_value( &::SireMol::Molecules::back );
Molecules_exposer.def(
"back"
, back_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::begin
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*begin_function_type )( ) const;
begin_function_type begin_function_value( &::SireMol::Molecules::begin );
Molecules_exposer.def(
"begin"
, begin_function_value );
}
{ //::SireMol::Molecules::clear
typedef void ( ::SireMol::Molecules::*clear_function_type )( ) ;
clear_function_type clear_function_value( &::SireMol::Molecules::clear );
Molecules_exposer.def(
"clear"
, clear_function_value );
}
{ //::SireMol::Molecules::constBegin
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*constBegin_function_type )( ) const;
constBegin_function_type constBegin_function_value( &::SireMol::Molecules::constBegin );
Molecules_exposer.def(
"constBegin"
, constBegin_function_value );
}
{ //::SireMol::Molecules::constEnd
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*constEnd_function_type )( ) const;
constEnd_function_type constEnd_function_value( &::SireMol::Molecules::constEnd );
Molecules_exposer.def(
"constEnd"
, constEnd_function_value );
}
{ //::SireMol::Molecules::constFind
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*constFind_function_type )( ::SireMol::MolNum ) const;
constFind_function_type constFind_function_value( &::SireMol::Molecules::constFind );
Molecules_exposer.def(
"constFind"
, constFind_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMol::Molecules::contains
typedef bool ( ::SireMol::Molecules::*contains_function_type )( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMol::Molecules::contains );
Molecules_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMol::Molecules::contains
typedef bool ( ::SireMol::Molecules::*contains_function_type )( ::SireMol::MoleculeView const & ) const;
contains_function_type contains_function_value( &::SireMol::Molecules::contains );
Molecules_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::contains
typedef bool ( ::SireMol::Molecules::*contains_function_type )( ::SireMol::ViewsOfMol const & ) const;
contains_function_type contains_function_value( &::SireMol::Molecules::contains );
Molecules_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::contains
typedef bool ( ::SireMol::Molecules::*contains_function_type )( ::SireMol::Molecules const & ) const;
contains_function_type contains_function_value( &::SireMol::Molecules::contains );
Molecules_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::count
typedef int ( ::SireMol::Molecules::*count_function_type )( ) const;
count_function_type count_function_value( &::SireMol::Molecules::count );
Molecules_exposer.def(
"count"
, count_function_value );
}
{ //::SireMol::Molecules::end
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*end_function_type )( ) const;
end_function_type end_function_value( &::SireMol::Molecules::end );
Molecules_exposer.def(
"end"
, end_function_value );
}
{ //::SireMol::Molecules::find
typedef ::SireBase::ChunkedHash< SireMol::MolNum, SireMol::ViewsOfMol, 100 >::const_iterator ( ::SireMol::Molecules::*find_function_type )( ::SireMol::MolNum ) const;
find_function_type find_function_value( &::SireMol::Molecules::find );
Molecules_exposer.def(
"find"
, find_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMol::Molecules::first
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*first_function_type )( ) const;
first_function_type first_function_value( &::SireMol::Molecules::first );
Molecules_exposer.def(
"first"
, first_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::front
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*front_function_type )( ) const;
front_function_type front_function_value( &::SireMol::Molecules::front );
Molecules_exposer.def(
"front"
, front_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::intersects
typedef bool ( ::SireMol::Molecules::*intersects_function_type )( ::SireMol::MoleculeView const & ) const;
intersects_function_type intersects_function_value( &::SireMol::Molecules::intersects );
Molecules_exposer.def(
"intersects"
, intersects_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::intersects
typedef bool ( ::SireMol::Molecules::*intersects_function_type )( ::SireMol::Molecules const & ) const;
intersects_function_type intersects_function_value( &::SireMol::Molecules::intersects );
Molecules_exposer.def(
"intersects"
, intersects_function_value
, ( bp::arg("other") ) );
}
{ //::SireMol::Molecules::isEmpty
typedef bool ( ::SireMol::Molecules::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireMol::Molecules::isEmpty );
Molecules_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireMol::Molecules::last
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*last_function_type )( ) const;
last_function_type last_function_value( &::SireMol::Molecules::last );
Molecules_exposer.def(
"last"
, last_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::molNums
typedef ::QSet< SireMol::MolNum > ( ::SireMol::Molecules::*molNums_function_type )( ) const;
molNums_function_type molNums_function_value( &::SireMol::Molecules::molNums );
Molecules_exposer.def(
"molNums"
, molNums_function_value );
}
{ //::SireMol::Molecules::molecule
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*molecule_function_type )( ::SireMol::MolNum ) const;
molecule_function_type molecule_function_value( &::SireMol::Molecules::molecule );
Molecules_exposer.def(
"molecule"
, molecule_function_value
, ( bp::arg("molnum") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::nMolecules
typedef int ( ::SireMol::Molecules::*nMolecules_function_type )( ) const;
nMolecules_function_type nMolecules_function_value( &::SireMol::Molecules::nMolecules );
Molecules_exposer.def(
"nMolecules"
, nMolecules_function_value );
}
{ //::SireMol::Molecules::nViews
typedef int ( ::SireMol::Molecules::*nViews_function_type )( ) const;
nViews_function_type nViews_function_value( &::SireMol::Molecules::nViews );
Molecules_exposer.def(
"nViews"
, nViews_function_value );
}
{ //::SireMol::Molecules::nViews
typedef int ( ::SireMol::Molecules::*nViews_function_type )( ::SireMol::MolNum ) const;
nViews_function_type nViews_function_value( &::SireMol::Molecules::nViews );
Molecules_exposer.def(
"nViews"
, nViews_function_value
, ( bp::arg("molnum") ) );
}
Molecules_exposer.def( bp::self != bp::self );
Molecules_exposer.def( bp::self + bp::self );
Molecules_exposer.def( bp::self - bp::self );
{ //::SireMol::Molecules::operator=
typedef ::SireMol::Molecules & ( ::SireMol::Molecules::*assign_function_type )( ::SireMol::Molecules const & ) ;
assign_function_type assign_function_value( &::SireMol::Molecules::operator= );
Molecules_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
Molecules_exposer.def( bp::self == bp::self );
{ //::SireMol::Molecules::operator[]
typedef ::SireMol::ViewsOfMol const & ( ::SireMol::Molecules::*__getitem___function_type )( ::SireMol::MolNum ) const;
__getitem___function_type __getitem___function_value( &::SireMol::Molecules::operator[] );
Molecules_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("molnum") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMol::Molecules::operator[]
typedef ::SireMol::PartialMolecule ( ::SireMol::Molecules::*__getitem___function_type )( ::boost::tuples::tuple< SireMol::MolNum, SireID::Index, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type > const & ) const;
__getitem___function_type __getitem___function_value( &::SireMol::Molecules::operator[] );
Molecules_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("viewidx") ) );
}
{ //::SireMol::Molecules::remove
typedef bool ( ::SireMol::Molecules::*remove_function_type )( ::SireMol::MoleculeView const & ) ;
remove_function_type remove_function_value( &::SireMol::Molecules::remove );
Molecules_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::remove
typedef ::SireMol::ViewsOfMol ( ::SireMol::Molecules::*remove_function_type )( ::SireMol::ViewsOfMol const & ) ;
remove_function_type remove_function_value( &::SireMol::Molecules::remove );
Molecules_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::remove
typedef ::QList< SireMol::ViewsOfMol > ( ::SireMol::Molecules::*remove_function_type )( ::SireMol::Molecules const & ) ;
remove_function_type remove_function_value( &::SireMol::Molecules::remove );
Molecules_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::remove
typedef ::SireMol::ViewsOfMol ( ::SireMol::Molecules::*remove_function_type )( ::SireMol::MolNum ) ;
remove_function_type remove_function_value( &::SireMol::Molecules::remove );
Molecules_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMol::Molecules::removeAll
typedef bool ( ::SireMol::Molecules::*removeAll_function_type )( ::SireMol::MoleculeView const & ) ;
removeAll_function_type removeAll_function_value( &::SireMol::Molecules::removeAll );
Molecules_exposer.def(
"removeAll"
, removeAll_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::removeAll
typedef ::SireMol::ViewsOfMol ( ::SireMol::Molecules::*removeAll_function_type )( ::SireMol::ViewsOfMol const & ) ;
removeAll_function_type removeAll_function_value( &::SireMol::Molecules::removeAll );
Molecules_exposer.def(
"removeAll"
, removeAll_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::removeAll
typedef ::QList< SireMol::ViewsOfMol > ( ::SireMol::Molecules::*removeAll_function_type )( ::SireMol::Molecules const & ) ;
removeAll_function_type removeAll_function_value( &::SireMol::Molecules::removeAll );
Molecules_exposer.def(
"removeAll"
, removeAll_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::removeAll
typedef bool ( ::SireMol::Molecules::*removeAll_function_type )( ) ;
removeAll_function_type removeAll_function_value( &::SireMol::Molecules::removeAll );
Molecules_exposer.def(
"removeAll"
, removeAll_function_value );
}
{ //::SireMol::Molecules::removeDuplicates
typedef bool ( ::SireMol::Molecules::*removeDuplicates_function_type )( ) ;
removeDuplicates_function_type removeDuplicates_function_value( &::SireMol::Molecules::removeDuplicates );
Molecules_exposer.def(
"removeDuplicates"
, removeDuplicates_function_value );
}
{ //::SireMol::Molecules::reserve
typedef void ( ::SireMol::Molecules::*reserve_function_type )( int ) ;
reserve_function_type reserve_function_value( &::SireMol::Molecules::reserve );
Molecules_exposer.def(
"reserve"
, reserve_function_value
, ( bp::arg("nmolecules") ) );
}
{ //::SireMol::Molecules::toString
typedef ::QString ( ::SireMol::Molecules::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMol::Molecules::toString );
Molecules_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMol::Molecules::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMol::Molecules::typeName );
Molecules_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMol::Molecules::unite
typedef bool ( ::SireMol::Molecules::*unite_function_type )( ::SireMol::MoleculeView const & ) ;
unite_function_type unite_function_value( &::SireMol::Molecules::unite );
Molecules_exposer.def(
"unite"
, unite_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::unite
typedef ::SireMol::ViewsOfMol ( ::SireMol::Molecules::*unite_function_type )( ::SireMol::ViewsOfMol const & ) ;
unite_function_type unite_function_value( &::SireMol::Molecules::unite );
Molecules_exposer.def(
"unite"
, unite_function_value
, ( bp::arg("molviews") ) );
}
{ //::SireMol::Molecules::unite
typedef ::QList< SireMol::ViewsOfMol > ( ::SireMol::Molecules::*unite_function_type )( ::SireMol::Molecules const & ) ;
unite_function_type unite_function_value( &::SireMol::Molecules::unite );
Molecules_exposer.def(
"unite"
, unite_function_value
, ( bp::arg("other") ) );
}
{ //::SireMol::Molecules::uniteViews
typedef bool ( ::SireMol::Molecules::*uniteViews_function_type )( ) ;
uniteViews_function_type uniteViews_function_value( &::SireMol::Molecules::uniteViews );
Molecules_exposer.def(
"uniteViews"
, uniteViews_function_value );
}
{ //::SireMol::Molecules::update
typedef bool ( ::SireMol::Molecules::*update_function_type )( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMol::Molecules::update );
Molecules_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") ) );
}
{ //::SireMol::Molecules::update
typedef bool ( ::SireMol::Molecules::*update_function_type )( ::SireMol::MoleculeView const & ) ;
update_function_type update_function_value( &::SireMol::Molecules::update );
Molecules_exposer.def(
"update"
, update_function_value
, ( bp::arg("molview") ) );
}
{ //::SireMol::Molecules::update
typedef ::QList< SireMol::Molecule > ( ::SireMol::Molecules::*update_function_type )( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMol::Molecules::update );
Molecules_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMol::Molecules::what
typedef char const * ( ::SireMol::Molecules::*what_function_type )( ) const;
what_function_type what_function_value( &::SireMol::Molecules::what );
Molecules_exposer.def(
"what"
, what_function_value );
}
Molecules_exposer.staticmethod( "typeName" );
Molecules_exposer.def( "__copy__", &__copy__);
Molecules_exposer.def( "__deepcopy__", &__copy__);
Molecules_exposer.def( "clone", &__copy__);
Molecules_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::Molecules >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Molecules_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::Molecules >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Molecules_exposer.def( "__str__", &__str__< ::SireMol::Molecules > );
Molecules_exposer.def( "__repr__", &__str__< ::SireMol::Molecules > );
Molecules_exposer.def( "__len__", &__len_count< ::SireMol::Molecules > );
}
}
void register_DihedralRestraint_class(){
{ //::SireMM::DihedralRestraint
typedef bp::class_< SireMM::DihedralRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > DihedralRestraint_exposer_t;
DihedralRestraint_exposer_t DihedralRestraint_exposer = DihedralRestraint_exposer_t( "DihedralRestraint", "This is a restraint that operates on the dihedral angle between\nfour SireMM::Point objects (e.g. four atoms in a molecule)\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") );
bp::scope DihedralRestraint_scope( DihedralRestraint_exposer );
DihedralRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint") ), "Construct a restraint that acts on the angle within the\nthree points point0, point1 and point2 (theta == a(012)),\nrestraining the angle within these points using the expression\nrestraint") );
DihedralRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, SireCAS::Values const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint"), bp::arg("values") ), "Construct a restraint that acts on the angle within the\nthree points point0, point1 and point2 (theta == a(012)),\nrestraining the angle within these points using the expression\nrestraint") );
DihedralRestraint_exposer.def( bp::init< SireMM::DihedralRestraint const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireMM::DihedralRestraint::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::DihedralRestraint::*builtinSymbols_function_type)( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::DihedralRestraint::builtinSymbols );
DihedralRestraint_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value
, "Return the built-in symbols for this restraint" );
}
{ //::SireMM::DihedralRestraint::builtinValues
typedef ::SireCAS::Values ( ::SireMM::DihedralRestraint::*builtinValues_function_type)( ) const;
builtinValues_function_type builtinValues_function_value( &::SireMM::DihedralRestraint::builtinValues );
DihedralRestraint_exposer.def(
"builtinValues"
, builtinValues_function_value
, "Return the values of the built-in symbols of this restraint" );
}
{ //::SireMM::DihedralRestraint::contains
typedef bool ( ::SireMM::DihedralRestraint::*contains_function_type)( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMM::DihedralRestraint::contains );
DihedralRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") )
, "Return whether or not this restraint affects the molecule\nwith number molnum" );
}
{ //::SireMM::DihedralRestraint::contains
typedef bool ( ::SireMM::DihedralRestraint::*contains_function_type)( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireMM::DihedralRestraint::contains );
DihedralRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") )
, "Return whether or not this restraint affects the molecule\nwith ID molid" );
}
{ //::SireMM::DihedralRestraint::differentialRestraintFunction
typedef ::SireCAS::Expression const & ( ::SireMM::DihedralRestraint::*differentialRestraintFunction_function_type)( ) const;
differentialRestraintFunction_function_type differentialRestraintFunction_function_value( &::SireMM::DihedralRestraint::differentialRestraintFunction );
DihedralRestraint_exposer.def(
"differentialRestraintFunction"
, differentialRestraintFunction_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "Return the function used to calculate the restraint force" );
}
{ //::SireMM::DihedralRestraint::differentiate
typedef ::SireMM::RestraintPtr ( ::SireMM::DihedralRestraint::*differentiate_function_type)( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::DihedralRestraint::differentiate );
DihedralRestraint_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") )
, "Return the differential of this restraint with respect to\nthe symbol symbol\nThrow: SireCAS::unavailable_differential\n" );
}
{ //::SireMM::DihedralRestraint::force
typedef void ( ::SireMM::DihedralRestraint::*force_function_type)( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DihedralRestraint::force );
DihedralRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "Calculate the force acting on the molecule in the forcetable forcetable\ncaused by this restraint, and add it on to the forcetable scaled by\nscale_force" );
}
{ //::SireMM::DihedralRestraint::force
typedef void ( ::SireMM::DihedralRestraint::*force_function_type)( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DihedralRestraint::force );
DihedralRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 )
, "Calculate the force acting on the molecules in the forcetable forcetable\ncaused by this restraint, and add it on to the forcetable scaled by\nscale_force" );
}
{ //::SireMM::DihedralRestraint::halfHarmonic
typedef ::SireMM::DihedralRestraint ( *halfHarmonic_function_type )( ::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireUnits::Dimension::Angle const &,::SireMM::HarmonicAngleForceConstant const & );
halfHarmonic_function_type halfHarmonic_function_value( &::SireMM::DihedralRestraint::halfHarmonic );
DihedralRestraint_exposer.def(
"halfHarmonic"
, halfHarmonic_function_value
, ( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("angle"), bp::arg("force_constant") )
, "Return a distance restraint that applied a half-harmonic potential\nbetween the points point0 and point1 above a distance distance\nusing a force constant force_constant" );
}
{ //::SireMM::DihedralRestraint::harmonic
typedef ::SireMM::DihedralRestraint ( *harmonic_function_type )( ::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireFF::PointRef const &,::SireMM::HarmonicAngleForceConstant const & );
harmonic_function_type harmonic_function_value( &::SireMM::DihedralRestraint::harmonic );
DihedralRestraint_exposer.def(
"harmonic"
, harmonic_function_value
, ( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("force_constant") )
, "Return a distance restraint that applies a harmonic potential between\nthe points point0 and point1 using a force constant force_constant" );
}
{ //::SireMM::DihedralRestraint::molecules
typedef ::SireMol::Molecules ( ::SireMM::DihedralRestraint::*molecules_function_type)( ) const;
molecules_function_type molecules_function_value( &::SireMM::DihedralRestraint::molecules );
DihedralRestraint_exposer.def(
"molecules"
, molecules_function_value
, "Return the molecules used in this restraint" );
}
{ //::SireMM::DihedralRestraint::nPoints
typedef int ( ::SireMM::DihedralRestraint::*nPoints_function_type)( ) const;
nPoints_function_type nPoints_function_value( &::SireMM::DihedralRestraint::nPoints );
DihedralRestraint_exposer.def(
"nPoints"
, nPoints_function_value
, "This restraint involves four points" );
}
DihedralRestraint_exposer.def( bp::self != bp::self );
{ //::SireMM::DihedralRestraint::operator=
typedef ::SireMM::DihedralRestraint & ( ::SireMM::DihedralRestraint::*assign_function_type)( ::SireMM::DihedralRestraint const & ) ;
assign_function_type assign_function_value( &::SireMM::DihedralRestraint::operator= );
DihedralRestraint_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
DihedralRestraint_exposer.def( bp::self == bp::self );
{ //::SireMM::DihedralRestraint::phi
typedef ::SireCAS::Symbol const & ( *phi_function_type )( );
phi_function_type phi_function_value( &::SireMM::DihedralRestraint::phi );
DihedralRestraint_exposer.def(
"phi"
, phi_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the symbol that represents the dihedral angle between the points (phi)" );
}
{ //::SireMM::DihedralRestraint::point
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point_function_type)( int ) const;
point_function_type point_function_value( &::SireMM::DihedralRestraint::point );
DihedralRestraint_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the ith point" );
}
{ //::SireMM::DihedralRestraint::point0
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point0_function_type)( ) const;
point0_function_type point0_function_value( &::SireMM::DihedralRestraint::point0 );
DihedralRestraint_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the first point" );
}
{ //::SireMM::DihedralRestraint::point1
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point1_function_type)( ) const;
point1_function_type point1_function_value( &::SireMM::DihedralRestraint::point1 );
DihedralRestraint_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the second point" );
}
{ //::SireMM::DihedralRestraint::point2
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point2_function_type)( ) const;
point2_function_type point2_function_value( &::SireMM::DihedralRestraint::point2 );
DihedralRestraint_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the third point" );
}
{ //::SireMM::DihedralRestraint::point3
typedef ::SireFF::Point const & ( ::SireMM::DihedralRestraint::*point3_function_type)( ) const;
point3_function_type point3_function_value( &::SireMM::DihedralRestraint::point3 );
DihedralRestraint_exposer.def(
"point3"
, point3_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the fourth point" );
}
{ //::SireMM::DihedralRestraint::setSpace
typedef void ( ::SireMM::DihedralRestraint::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::DihedralRestraint::setSpace );
DihedralRestraint_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") )
, "Set the space used to evaluate the energy of this restraint\nThrow: SireVol::incompatible_space\n" );
}
{ //::SireMM::DihedralRestraint::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::DihedralRestraint::typeName );
DihedralRestraint_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireMM::DihedralRestraint::update
typedef void ( ::SireMM::DihedralRestraint::*update_function_type)( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMM::DihedralRestraint::update );
DihedralRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") )
, "Update the points of this restraint using new molecule data from moldata\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\nThrow: SireError::incompatible_error\n" );
}
{ //::SireMM::DihedralRestraint::update
typedef void ( ::SireMM::DihedralRestraint::*update_function_type)( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMM::DihedralRestraint::update );
DihedralRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") )
, "Update the points of this restraint using new molecule data from molecules\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\nThrow: SireError::incompatible_error\n" );
}
{ //::SireMM::DihedralRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DihedralRestraint::*usesMoleculesIn_function_type)( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DihedralRestraint::usesMoleculesIn );
DihedralRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") )
, "Return whether or not this restraint involves any of the molecules\nthat are in the forcetable forcetable" );
}
{ //::SireMM::DihedralRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DihedralRestraint::*usesMoleculesIn_function_type)( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DihedralRestraint::usesMoleculesIn );
DihedralRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") )
, "Return whether or not this restraint involves any of the molecules\nin molecules" );
}
DihedralRestraint_exposer.staticmethod( "halfHarmonic" );
DihedralRestraint_exposer.staticmethod( "harmonic" );
DihedralRestraint_exposer.staticmethod( "phi" );
DihedralRestraint_exposer.staticmethod( "typeName" );
DihedralRestraint_exposer.def( "__copy__", &__copy__);
DihedralRestraint_exposer.def( "__deepcopy__", &__copy__);
DihedralRestraint_exposer.def( "clone", &__copy__);
DihedralRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::DihedralRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DihedralRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::DihedralRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DihedralRestraint_exposer.def( "__str__", &__str__< ::SireMM::DihedralRestraint > );
DihedralRestraint_exposer.def( "__repr__", &__str__< ::SireMM::DihedralRestraint > );
}
}
void register_CoordGroupArray_class(){
{ //::SireVol::CoordGroupArray
typedef bp::class_< SireVol::CoordGroupArray > CoordGroupArray_exposer_t;
CoordGroupArray_exposer_t CoordGroupArray_exposer = CoordGroupArray_exposer_t( "CoordGroupArray", "This class holds an array of CoordGroups. While you could\nof course just use a QVector<CoordGroup>, this array\noptimises the memory layout of all of the CoordGroups\nso that they all lie contiguously along the same piece\nof memory (and indeed, all of the AABoxes are grouped\ntogether, while all of the coordinates are grouped together).\n\nThe memory packing means that this array is much more\nlimited than a QVector<CoordGroup>, i.e. you cant\nadd or remove CoordGroups from the array, and you cant\ndo anything to the contained CoordGroups except for\nchange their coordinates.\n\nThis class is really meant to be used as a fast container\nthat allow rapid iteration over all of the contained\nCoordGroups coordinates\n\nAuthor: Christopher Woods\n", bp::init< >("Null constructor") );
bp::scope CoordGroupArray_scope( CoordGroupArray_exposer );
CoordGroupArray_exposer.def( bp::init< SireVol::CoordGroup const & >(( bp::arg("cgroup") ), "Construct an array that holds just the passed CoordGroup") );
CoordGroupArray_exposer.def( bp::init< QVector< QVector< SireMaths::Vector > > const & >(( bp::arg("points") ), "Construct from a double-vector") );
CoordGroupArray_exposer.def( bp::init< QVector< SireVol::CoordGroup > const & >(( bp::arg("cgroups") ), "Construct from an array of CoordGroups") );
CoordGroupArray_exposer.def( bp::init< SireVol::CoordGroupArray const &, SireVol::CoordGroupArray const & >(( bp::arg("array0"), bp::arg("array1") ), "Construct from a pair of CoordGroupArrays") );
CoordGroupArray_exposer.def( bp::init< SireVol::CoordGroupArray const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireVol::CoordGroupArray::aaBox
typedef ::SireVol::AABox ( ::SireVol::CoordGroupArray::*aaBox_function_type)( ) const;
aaBox_function_type aaBox_function_value( &::SireVol::CoordGroupArray::aaBox );
CoordGroupArray_exposer.def(
"aaBox"
, aaBox_function_value
, "Return an AABox that complete encompasses all of the CoordGroups\nin this array" );
}
{ //::SireVol::CoordGroupArray::append
typedef void ( ::SireVol::CoordGroupArray::*append_function_type)( ::SireVol::CoordGroup const & ) ;
append_function_type append_function_value( &::SireVol::CoordGroupArray::append );
CoordGroupArray_exposer.def(
"append"
, append_function_value
, ( bp::arg("cgroup") )
, "Append the passed CoordGroup onto the end of this array" );
}
{ //::SireVol::CoordGroupArray::append
typedef void ( ::SireVol::CoordGroupArray::*append_function_type)( ::SireVol::CoordGroupArray const & ) ;
append_function_type append_function_value( &::SireVol::CoordGroupArray::append );
CoordGroupArray_exposer.def(
"append"
, append_function_value
, ( bp::arg("cgroups") )
, "Append the passed CoordGroups onto the end of this array" );
}
{ //::SireVol::CoordGroupArray::assertValidCoordGroup
typedef void ( ::SireVol::CoordGroupArray::*assertValidCoordGroup_function_type)( ::quint32 ) const;
assertValidCoordGroup_function_type assertValidCoordGroup_function_value( &::SireVol::CoordGroupArray::assertValidCoordGroup );
CoordGroupArray_exposer.def(
"assertValidCoordGroup"
, assertValidCoordGroup_function_value
, ( bp::arg("i") )
, "Assert that the index i points to a valid CoordGroup\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::assertValidCoordinate
typedef void ( ::SireVol::CoordGroupArray::*assertValidCoordinate_function_type)( ::quint32 ) const;
assertValidCoordinate_function_type assertValidCoordinate_function_value( &::SireVol::CoordGroupArray::assertValidCoordinate );
CoordGroupArray_exposer.def(
"assertValidCoordinate"
, assertValidCoordinate_function_value
, ( bp::arg("i") )
, "Assert that the index i points a valid coordinate\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::assertValidIndex
typedef void ( ::SireVol::CoordGroupArray::*assertValidIndex_function_type)( ::quint32 ) const;
assertValidIndex_function_type assertValidIndex_function_value( &::SireVol::CoordGroupArray::assertValidIndex );
CoordGroupArray_exposer.def(
"assertValidIndex"
, assertValidIndex_function_value
, ( bp::arg("i") )
, "Assert that the index i points to a valid CoordGroup\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::at
typedef ::SireVol::CoordGroup const & ( ::SireVol::CoordGroupArray::*at_function_type)( ::quint32 ) const;
at_function_type at_function_value( &::SireVol::CoordGroupArray::at );
CoordGroupArray_exposer.def(
"at"
, at_function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >()
, "Return a reference to the ith CoordGroup\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::changeFrame
typedef void ( ::SireVol::CoordGroupArray::*changeFrame_function_type)( ::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireVol::CoordGroupArray::changeFrame );
CoordGroupArray_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("from_frame"), bp::arg("to_frame") )
, "Change all of the coordinates in this array from the\ncoordinate frame from_frame to the coordinate frame to_frame" );
}
{ //::SireVol::CoordGroupArray::changeFrame
typedef void ( ::SireVol::CoordGroupArray::*changeFrame_function_type)( ::quint32,::SireMaths::AxisSet const &,::SireMaths::AxisSet const & ) ;
changeFrame_function_type changeFrame_function_value( &::SireVol::CoordGroupArray::changeFrame );
CoordGroupArray_exposer.def(
"changeFrame"
, changeFrame_function_value
, ( bp::arg("i"), bp::arg("from_frame"), bp::arg("to_frame") )
, "Change all of the coordinates in the ith CoordGroup from\nthe coordinate frame from_frame to the coordinate frame\nto_frame\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::count
typedef int ( ::SireVol::CoordGroupArray::*count_function_type)( ) const;
count_function_type count_function_value( &::SireVol::CoordGroupArray::count );
CoordGroupArray_exposer.def(
"count"
, count_function_value
, "Return the number of CoordGroups in this array" );
}
{ //::SireVol::CoordGroupArray::isEmpty
typedef bool ( ::SireVol::CoordGroupArray::*isEmpty_function_type)( ) const;
isEmpty_function_type isEmpty_function_value( &::SireVol::CoordGroupArray::isEmpty );
CoordGroupArray_exposer.def(
"isEmpty"
, isEmpty_function_value
, "Return whether or not this array is empty" );
}
{ //::SireVol::CoordGroupArray::mapInto
typedef void ( ::SireVol::CoordGroupArray::*mapInto_function_type)( ::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireVol::CoordGroupArray::mapInto );
CoordGroupArray_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("axes") )
, "Map all of the coordinates in this array into the coordinate\nframe represented by axes" );
}
{ //::SireVol::CoordGroupArray::mapInto
typedef void ( ::SireVol::CoordGroupArray::*mapInto_function_type)( ::quint32,::SireMaths::AxisSet const & ) ;
mapInto_function_type mapInto_function_value( &::SireVol::CoordGroupArray::mapInto );
CoordGroupArray_exposer.def(
"mapInto"
, mapInto_function_value
, ( bp::arg("i"), bp::arg("axes") )
, "Map all of the coordinates of the CoordGroup at index i\ninto the coordinate frame represented by axes\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::merge
typedef ::SireVol::CoordGroup ( ::SireVol::CoordGroupArray::*merge_function_type)( ) const;
merge_function_type merge_function_value( &::SireVol::CoordGroupArray::merge );
CoordGroupArray_exposer.def(
"merge"
, merge_function_value
, "Merge this array of CoordGroups back into a single CoordGroup" );
}
{ //::SireVol::CoordGroupArray::nCoordGroups
typedef int ( ::SireVol::CoordGroupArray::*nCoordGroups_function_type)( ) const;
nCoordGroups_function_type nCoordGroups_function_value( &::SireVol::CoordGroupArray::nCoordGroups );
CoordGroupArray_exposer.def(
"nCoordGroups"
, nCoordGroups_function_value
, "Return the number of CoordGroups in this array" );
}
{ //::SireVol::CoordGroupArray::nCoords
typedef int ( ::SireVol::CoordGroupArray::*nCoords_function_type)( ) const;
nCoords_function_type nCoords_function_value( &::SireVol::CoordGroupArray::nCoords );
CoordGroupArray_exposer.def(
"nCoords"
, nCoords_function_value
, "Return the number of coordinates in this array" );
}
CoordGroupArray_exposer.def( bp::self != bp::self );
{ //::SireVol::CoordGroupArray::operator=
typedef ::SireVol::CoordGroupArray & ( ::SireVol::CoordGroupArray::*assign_function_type)( ::SireVol::CoordGroupArray const & ) ;
assign_function_type assign_function_value( &::SireVol::CoordGroupArray::operator= );
CoordGroupArray_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
CoordGroupArray_exposer.def( bp::self == bp::self );
{ //::SireVol::CoordGroupArray::operator[]
typedef ::SireVol::CoordGroup const & ( ::SireVol::CoordGroupArray::*__getitem___function_type)( ::quint32 ) const;
__getitem___function_type __getitem___function_value( &::SireVol::CoordGroupArray::operator[] );
CoordGroupArray_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >()
, "" );
}
{ //::SireVol::CoordGroupArray::remove
typedef void ( ::SireVol::CoordGroupArray::*remove_function_type)( ::quint32 ) ;
remove_function_type remove_function_value( &::SireVol::CoordGroupArray::remove );
CoordGroupArray_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("i") )
, "Remove the ith CoordGroup from the array" );
}
{ //::SireVol::CoordGroupArray::remove
typedef void ( ::SireVol::CoordGroupArray::*remove_function_type)( ::quint32,int ) ;
remove_function_type remove_function_value( &::SireVol::CoordGroupArray::remove );
CoordGroupArray_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("i"), bp::arg("count") )
, "Remove count CoordGroups from the array, starting with the ith CoordGroup" );
}
{ //::SireVol::CoordGroupArray::remove
typedef void ( ::SireVol::CoordGroupArray::*remove_function_type)( ::QVarLengthArray< unsigned int, 256 > const & ) ;
remove_function_type remove_function_value( &::SireVol::CoordGroupArray::remove );
CoordGroupArray_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("idxs") )
, "Remove the specified CoordGroups from the array" );
}
{ //::SireVol::CoordGroupArray::rotate
typedef void ( ::SireVol::CoordGroupArray::*rotate_function_type)( ::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireVol::CoordGroupArray::rotate );
CoordGroupArray_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("quat"), bp::arg("point") )
, "Rotate all of the coordinates in this array using the quaternion\nquat around the point point" );
}
{ //::SireVol::CoordGroupArray::rotate
typedef void ( ::SireVol::CoordGroupArray::*rotate_function_type)( ::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireVol::CoordGroupArray::rotate );
CoordGroupArray_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("rotmat"), bp::arg("point") )
, "Rotate all of coordinates in this array using the matrix rotmat\nabout the point point" );
}
{ //::SireVol::CoordGroupArray::rotate
typedef void ( ::SireVol::CoordGroupArray::*rotate_function_type)( ::quint32,::SireMaths::Quaternion const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireVol::CoordGroupArray::rotate );
CoordGroupArray_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("i"), bp::arg("quat"), bp::arg("point") )
, "Rotate all of the coordinates in the CoordGroup at index i using\nthe quaternion quat about the point point\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::rotate
typedef void ( ::SireVol::CoordGroupArray::*rotate_function_type)( ::quint32,::SireMaths::Matrix const &,::SireMaths::Vector const & ) ;
rotate_function_type rotate_function_value( &::SireVol::CoordGroupArray::rotate );
CoordGroupArray_exposer.def(
"rotate"
, rotate_function_value
, ( bp::arg("i"), bp::arg("rotmat"), bp::arg("point") )
, "Rotate all of the coordinates in the CoordGroup at index i using\nthe matrix rotmat about the point point\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::size
typedef int ( ::SireVol::CoordGroupArray::*size_function_type)( ) const;
size_function_type size_function_value( &::SireVol::CoordGroupArray::size );
CoordGroupArray_exposer.def(
"size"
, size_function_value
, "Return the number of CoordGroups in this array" );
}
{ //::SireVol::CoordGroupArray::toString
typedef ::QString ( ::SireVol::CoordGroupArray::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireVol::CoordGroupArray::toString );
CoordGroupArray_exposer.def(
"toString"
, toString_function_value
, "Return a string representation of this array" );
}
{ //::SireVol::CoordGroupArray::transform
typedef void ( ::SireVol::CoordGroupArray::*transform_function_type)( ::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireVol::CoordGroupArray::transform );
CoordGroupArray_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("t") )
, "Transform all of coordinates in this array using the transformation t" );
}
{ //::SireVol::CoordGroupArray::transform
typedef void ( ::SireVol::CoordGroupArray::*transform_function_type)( ::quint32,::SireMaths::Transform const & ) ;
transform_function_type transform_function_value( &::SireVol::CoordGroupArray::transform );
CoordGroupArray_exposer.def(
"transform"
, transform_function_value
, ( bp::arg("i"), bp::arg("t") )
, "Transform all of the coordinates in the CoordGroup at index i using\nthe transformation t\nThrow: SireError::invalid_index\n" );
}
{ //::SireVol::CoordGroupArray::translate
typedef void ( ::SireVol::CoordGroupArray::*translate_function_type)( ::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireVol::CoordGroupArray::translate );
CoordGroupArray_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("delta") )
, "Translate all of the coordinates in this array by delta" );
}
{ //::SireVol::CoordGroupArray::translate
typedef void ( ::SireVol::CoordGroupArray::*translate_function_type)( ::quint32,::SireMaths::Vector const & ) ;
translate_function_type translate_function_value( &::SireVol::CoordGroupArray::translate );
CoordGroupArray_exposer.def(
"translate"
, translate_function_value
, ( bp::arg("i"), bp::arg("delta") )
, "Translate all of the coordinates in the ith CoordGroup by delta" );
}
{ //::SireVol::CoordGroupArray::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireVol::CoordGroupArray::typeName );
CoordGroupArray_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireVol::CoordGroupArray::update
typedef void ( ::SireVol::CoordGroupArray::*update_function_type)( ::quint32,::SireVol::CoordGroup const & ) ;
update_function_type update_function_value( &::SireVol::CoordGroupArray::update );
CoordGroupArray_exposer.def(
"update"
, update_function_value
, ( bp::arg("i"), bp::arg("cgroup") )
, "Update the CoordGroup at index i so that it is equal to cgroup. Note\nthat cgroup must contain the same number of coordinates as the existing\nCoordGroup at this index\nThrow: SireError::invalid_index\nThrow: SireError::incompatible_error\n" );
}
{ //::SireVol::CoordGroupArray::update
typedef void ( ::SireVol::CoordGroupArray::*update_function_type)( ::quint32,::QVector< SireMaths::Vector > const & ) ;
update_function_type update_function_value( &::SireVol::CoordGroupArray::update );
CoordGroupArray_exposer.def(
"update"
, update_function_value
, ( bp::arg("i"), bp::arg("coords") )
, "Update the CoordGroup at index i so that it has coordinates coords\nThere must contain the same number of coordinates as the existing\nCoordGroup at this index\nThrow: SireError::invalid_index\nThrow: SireError::incompatible_error\n" );
}
{ //::SireVol::CoordGroupArray::update
typedef void ( ::SireVol::CoordGroupArray::*update_function_type)( ::quint32,::SireMaths::Vector const *,int ) ;
update_function_type update_function_value( &::SireVol::CoordGroupArray::update );
CoordGroupArray_exposer.def(
"update"
, update_function_value
, ( bp::arg("i"), bp::arg("coords"), bp::arg("ncoords") )
, "Update the CoordGroup at index i so that it has coordinates coords\n(there are ncoords coordinates in this array)\nThere must contain the same number of coordinates as the existing\nCoordGroup at this index\nThrow: SireError::invalid_index\nThrow: SireError::incompatible_error\n" );
}
{ //::SireVol::CoordGroupArray::what
typedef char const * ( ::SireVol::CoordGroupArray::*what_function_type)( ) const;
what_function_type what_function_value( &::SireVol::CoordGroupArray::what );
CoordGroupArray_exposer.def(
"what"
, what_function_value
, "" );
}
CoordGroupArray_exposer.staticmethod( "typeName" );
CoordGroupArray_exposer.def( "__copy__", &__copy__);
CoordGroupArray_exposer.def( "__deepcopy__", &__copy__);
CoordGroupArray_exposer.def( "clone", &__copy__);
CoordGroupArray_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireVol::CoordGroupArray >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CoordGroupArray_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireVol::CoordGroupArray >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CoordGroupArray_exposer.def( "__str__", &__str__< ::SireVol::CoordGroupArray > );
CoordGroupArray_exposer.def( "__repr__", &__str__< ::SireVol::CoordGroupArray > );
CoordGroupArray_exposer.def( "__len__", &__len_size< ::SireVol::CoordGroupArray > );
}
}
void register_CLJ14Group_class(){
{ //::SireMM::CLJ14Group
typedef bp::class_< SireMM::CLJ14Group > CLJ14Group_exposer_t;
CLJ14Group_exposer_t CLJ14Group_exposer = CLJ14Group_exposer_t( "CLJ14Group", bp::init< >() );
bp::scope CLJ14Group_scope( CLJ14Group_exposer );
CLJ14Group_exposer.def( bp::init< SireMol::MoleculeView const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecule"), bp::arg("map")=SireBase::PropertyMap() )) );
CLJ14Group_exposer.def( bp::init< SireMol::MoleculeView const &, SireMM::CLJFunction::COMBINING_RULES, bool, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecule"), bp::arg("combining_rules"), bp::arg("is_strict"), bp::arg("map")=SireBase::PropertyMap() )) );
CLJ14Group_exposer.def( bp::init< SireMM::CLJ14Group const & >(( bp::arg("other") )) );
{ //::SireMM::CLJ14Group::add
typedef void ( ::SireMM::CLJ14Group::*add_function_type )( ::SireMol::MoleculeView const & ) ;
add_function_type add_function_value( &::SireMM::CLJ14Group::add );
CLJ14Group_exposer.def(
"add"
, add_function_value
, ( bp::arg("new_molecule") ) );
}
{ //::SireMM::CLJ14Group::add
typedef void ( ::SireMM::CLJ14Group::*add_function_type )( ::SireMol::AtomSelection const & ) ;
add_function_type add_function_value( &::SireMM::CLJ14Group::add );
CLJ14Group_exposer.def(
"add"
, add_function_value
, ( bp::arg("new_selection") ) );
}
{ //::SireMM::CLJ14Group::combiningRules
typedef ::SireMM::CLJFunction::COMBINING_RULES ( ::SireMM::CLJ14Group::*combiningRules_function_type )( ) const;
combiningRules_function_type combiningRules_function_value( &::SireMM::CLJ14Group::combiningRules );
CLJ14Group_exposer.def(
"combiningRules"
, combiningRules_function_value );
}
{ //::SireMM::CLJ14Group::energy
typedef ::boost::tuples::tuple< double, double, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type, boost::tuples::null_type > ( ::SireMM::CLJ14Group::*energy_function_type )( ) ;
energy_function_type energy_function_value( &::SireMM::CLJ14Group::energy );
CLJ14Group_exposer.def(
"energy"
, energy_function_value );
}
{ //::SireMM::CLJ14Group::isNull
typedef bool ( ::SireMM::CLJ14Group::*isNull_function_type )( ) const;
isNull_function_type isNull_function_value( &::SireMM::CLJ14Group::isNull );
CLJ14Group_exposer.def(
"isNull"
, isNull_function_value );
}
{ //::SireMM::CLJ14Group::isStrict
typedef bool ( ::SireMM::CLJ14Group::*isStrict_function_type )( ) const;
isStrict_function_type isStrict_function_value( &::SireMM::CLJ14Group::isStrict );
CLJ14Group_exposer.def(
"isStrict"
, isStrict_function_value );
}
{ //::SireMM::CLJ14Group::molecule
typedef ::SireMol::MoleculeView const & ( ::SireMM::CLJ14Group::*molecule_function_type )( ) const;
molecule_function_type molecule_function_value( &::SireMM::CLJ14Group::molecule );
CLJ14Group_exposer.def(
"molecule"
, molecule_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::CLJ14Group::mustNowRecalculateFromScratch
typedef void ( ::SireMM::CLJ14Group::*mustNowRecalculateFromScratch_function_type )( ) ;
mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireMM::CLJ14Group::mustNowRecalculateFromScratch );
CLJ14Group_exposer.def(
"mustNowRecalculateFromScratch"
, mustNowRecalculateFromScratch_function_value );
}
{ //::SireMM::CLJ14Group::mustReallyRecalculateFromScratch
typedef void ( ::SireMM::CLJ14Group::*mustReallyRecalculateFromScratch_function_type )( ) ;
mustReallyRecalculateFromScratch_function_type mustReallyRecalculateFromScratch_function_value( &::SireMM::CLJ14Group::mustReallyRecalculateFromScratch );
CLJ14Group_exposer.def(
"mustReallyRecalculateFromScratch"
, mustReallyRecalculateFromScratch_function_value );
}
CLJ14Group_exposer.def( bp::self != bp::self );
{ //::SireMM::CLJ14Group::operator=
typedef ::SireMM::CLJ14Group & ( ::SireMM::CLJ14Group::*assign_function_type )( ::SireMM::CLJ14Group const & ) ;
assign_function_type assign_function_value( &::SireMM::CLJ14Group::operator= );
CLJ14Group_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
CLJ14Group_exposer.def( bp::self == bp::self );
{ //::SireMM::CLJ14Group::propertyMap
typedef ::SireBase::PropertyMap ( ::SireMM::CLJ14Group::*propertyMap_function_type )( ) const;
propertyMap_function_type propertyMap_function_value( &::SireMM::CLJ14Group::propertyMap );
CLJ14Group_exposer.def(
"propertyMap"
, propertyMap_function_value );
}
{ //::SireMM::CLJ14Group::recalculatingFromScratch
typedef bool ( ::SireMM::CLJ14Group::*recalculatingFromScratch_function_type )( ) const;
recalculatingFromScratch_function_type recalculatingFromScratch_function_value( &::SireMM::CLJ14Group::recalculatingFromScratch );
CLJ14Group_exposer.def(
"recalculatingFromScratch"
, recalculatingFromScratch_function_value );
}
{ //::SireMM::CLJ14Group::remove
typedef void ( ::SireMM::CLJ14Group::*remove_function_type )( ::SireMol::AtomSelection const & ) ;
remove_function_type remove_function_value( &::SireMM::CLJ14Group::remove );
CLJ14Group_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("new_selection") ) );
}
{ //::SireMM::CLJ14Group::remove
typedef void ( ::SireMM::CLJ14Group::*remove_function_type )( ::SireMol::MoleculeView const & ) ;
remove_function_type remove_function_value( &::SireMM::CLJ14Group::remove );
CLJ14Group_exposer.def(
"remove"
, remove_function_value
, ( bp::arg("new_molecule") ) );
}
{ //::SireMM::CLJ14Group::setArithmeticCombiningRules
typedef void ( ::SireMM::CLJ14Group::*setArithmeticCombiningRules_function_type )( bool ) ;
setArithmeticCombiningRules_function_type setArithmeticCombiningRules_function_value( &::SireMM::CLJ14Group::setArithmeticCombiningRules );
CLJ14Group_exposer.def(
"setArithmeticCombiningRules"
, setArithmeticCombiningRules_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::CLJ14Group::setCombiningRules
typedef void ( ::SireMM::CLJ14Group::*setCombiningRules_function_type )( ::SireMM::CLJFunction::COMBINING_RULES ) ;
setCombiningRules_function_type setCombiningRules_function_value( &::SireMM::CLJ14Group::setCombiningRules );
CLJ14Group_exposer.def(
"setCombiningRules"
, setCombiningRules_function_value
, ( bp::arg("rules") ) );
}
{ //::SireMM::CLJ14Group::setGeometricCombiningRules
typedef void ( ::SireMM::CLJ14Group::*setGeometricCombiningRules_function_type )( bool ) ;
setGeometricCombiningRules_function_type setGeometricCombiningRules_function_value( &::SireMM::CLJ14Group::setGeometricCombiningRules );
CLJ14Group_exposer.def(
"setGeometricCombiningRules"
, setGeometricCombiningRules_function_value
, ( bp::arg("on") ) );
}
{ //::SireMM::CLJ14Group::setStrict
typedef bool ( ::SireMM::CLJ14Group::*setStrict_function_type )( bool ) ;
setStrict_function_type setStrict_function_value( &::SireMM::CLJ14Group::setStrict );
CLJ14Group_exposer.def(
"setStrict"
, setStrict_function_value
, ( bp::arg("isstrict") ) );
}
{ //::SireMM::CLJ14Group::toString
typedef ::QString ( ::SireMM::CLJ14Group::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMM::CLJ14Group::toString );
CLJ14Group_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMM::CLJ14Group::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::CLJ14Group::typeName );
CLJ14Group_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::CLJ14Group::update
typedef void ( ::SireMM::CLJ14Group::*update_function_type )( ::SireMol::MoleculeView const & ) ;
update_function_type update_function_value( &::SireMM::CLJ14Group::update );
CLJ14Group_exposer.def(
"update"
, update_function_value
, ( bp::arg("new_molecule") ) );
}
{ //::SireMM::CLJ14Group::updateSelection
typedef void ( ::SireMM::CLJ14Group::*updateSelection_function_type )( ::SireMol::AtomSelection const & ) ;
updateSelection_function_type updateSelection_function_value( &::SireMM::CLJ14Group::updateSelection );
CLJ14Group_exposer.def(
"updateSelection"
, updateSelection_function_value
, ( bp::arg("selection") ) );
}
{ //::SireMM::CLJ14Group::usingArithmeticCombiningRules
typedef bool ( ::SireMM::CLJ14Group::*usingArithmeticCombiningRules_function_type )( ) const;
usingArithmeticCombiningRules_function_type usingArithmeticCombiningRules_function_value( &::SireMM::CLJ14Group::usingArithmeticCombiningRules );
CLJ14Group_exposer.def(
"usingArithmeticCombiningRules"
, usingArithmeticCombiningRules_function_value );
}
{ //::SireMM::CLJ14Group::usingGeometricCombiningRules
typedef bool ( ::SireMM::CLJ14Group::*usingGeometricCombiningRules_function_type )( ) const;
usingGeometricCombiningRules_function_type usingGeometricCombiningRules_function_value( &::SireMM::CLJ14Group::usingGeometricCombiningRules );
CLJ14Group_exposer.def(
"usingGeometricCombiningRules"
, usingGeometricCombiningRules_function_value );
}
{ //::SireMM::CLJ14Group::what
typedef char const * ( ::SireMM::CLJ14Group::*what_function_type )( ) const;
what_function_type what_function_value( &::SireMM::CLJ14Group::what );
CLJ14Group_exposer.def(
"what"
, what_function_value );
}
{ //::SireMM::CLJ14Group::wouldChangeProperties
typedef bool ( ::SireMM::CLJ14Group::*wouldChangeProperties_function_type )( ::SireBase::PropertyMap const & ) const;
wouldChangeProperties_function_type wouldChangeProperties_function_value( &::SireMM::CLJ14Group::wouldChangeProperties );
CLJ14Group_exposer.def(
"wouldChangeProperties"
, wouldChangeProperties_function_value
, ( bp::arg("map") ) );
}
CLJ14Group_exposer.staticmethod( "typeName" );
CLJ14Group_exposer.def( "__copy__", &__copy__);
CLJ14Group_exposer.def( "__deepcopy__", &__copy__);
CLJ14Group_exposer.def( "clone", &__copy__);
CLJ14Group_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJ14Group >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJ14Group_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJ14Group >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CLJ14Group_exposer.def( "__str__", &__str__< ::SireMM::CLJ14Group > );
CLJ14Group_exposer.def( "__repr__", &__str__< ::SireMM::CLJ14Group > );
}
}
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_IDAssigner_class(){
{ //::SireSystem::IDAssigner
typedef bp::class_< SireSystem::IDAssigner, bp::bases< SireBase::Property > > IDAssigner_exposer_t;
IDAssigner_exposer_t IDAssigner_exposer = IDAssigner_exposer_t( "IDAssigner", "This class uses the machinery of the identity point to\npick out molecules that are associated with identity points.\nThis is useful if you want to monitor a property or energy,\nbut dont actually want to change the coordinates of atoms\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") );
bp::scope IDAssigner_scope( IDAssigner_exposer );
IDAssigner_exposer.def( bp::init< SireFF::PointRef const &, SireMol::MoleculeGroup const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("point"), bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ), "Constructor") );
IDAssigner_exposer.def( bp::init< QVector< SireBase::PropPtr< SireFF::Point > > const &, SireMol::MoleculeGroup const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("points"), bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to find the identity of the molecules from\nmolgroup that match the points in points -\nthis creates a list of n molecules, where the ith molecule\nis matched to the ith point") );
IDAssigner_exposer.def( bp::init< SireFF::PointRef const &, SireMol::MoleculeGroup const &, SireVol::Space const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("point"), bp::arg("molgroup"), bp::arg("space"), bp::arg("map")=SireBase::PropertyMap() ), "Constructor") );
IDAssigner_exposer.def( bp::init< QVector< SireBase::PropPtr< SireFF::Point > > const &, SireMol::MoleculeGroup const &, SireVol::Space const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("points"), bp::arg("molgroup"), bp::arg("space"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to find the identity of the molecules from\nmolgroup that match the points in points -\nthis creates a list of n molecules, where the ith molecule\nis matched to the ith point") );
IDAssigner_exposer.def( bp::init< SireSystem::IDAssigner const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireSystem::IDAssigner::identifiedMolecules
typedef ::QVector< SireMol::PartialMolecule > ( ::SireSystem::IDAssigner::*identifiedMolecules_function_type)( ) const;
identifiedMolecules_function_type identifiedMolecules_function_value( &::SireSystem::IDAssigner::identifiedMolecules );
IDAssigner_exposer.def(
"identifiedMolecules"
, identifiedMolecules_function_value
, "Returns the list of identified molecules from the system,\nwhich are returned in the same order as the list of identity points\n" );
}
{ //::SireSystem::IDAssigner::moleculeGroup
typedef ::SireMol::MoleculeGroup const & ( ::SireSystem::IDAssigner::*moleculeGroup_function_type)( ) const;
moleculeGroup_function_type moleculeGroup_function_value( &::SireSystem::IDAssigner::moleculeGroup );
IDAssigner_exposer.def(
"moleculeGroup"
, moleculeGroup_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the molecule group operated on by this constraint" );
}
{ //::SireSystem::IDAssigner::nPoints
typedef int ( ::SireSystem::IDAssigner::*nPoints_function_type)( ) const;
nPoints_function_type nPoints_function_value( &::SireSystem::IDAssigner::nPoints );
IDAssigner_exposer.def(
"nPoints"
, nPoints_function_value
, "Return the number of identity points (and thus the number of\nidentified molecules)" );
}
IDAssigner_exposer.def( bp::self != bp::self );
{ //::SireSystem::IDAssigner::operator=
typedef ::SireSystem::IDAssigner & ( ::SireSystem::IDAssigner::*assign_function_type)( ::SireSystem::IDAssigner const & ) ;
assign_function_type assign_function_value( &::SireSystem::IDAssigner::operator= );
IDAssigner_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
IDAssigner_exposer.def( bp::self == bp::self );
{ //::SireSystem::IDAssigner::points
typedef ::QVector< SireBase::PropPtr< SireFF::Point > > ( ::SireSystem::IDAssigner::*points_function_type)( ) const;
points_function_type points_function_value( &::SireSystem::IDAssigner::points );
IDAssigner_exposer.def(
"points"
, points_function_value
, "Return the points used to identify the molecules" );
}
{ //::SireSystem::IDAssigner::propertyMap
typedef ::SireBase::PropertyMap const & ( ::SireSystem::IDAssigner::*propertyMap_function_type)( ) const;
propertyMap_function_type propertyMap_function_value( &::SireSystem::IDAssigner::propertyMap );
IDAssigner_exposer.def(
"propertyMap"
, propertyMap_function_value
, bp::return_value_policy< bp::copy_const_reference >()
, "Return the property map used to find the properties required\nby this constraint" );
}
{ //::SireSystem::IDAssigner::space
typedef ::SireVol::Space const & ( ::SireSystem::IDAssigner::*space_function_type)( ) const;
space_function_type space_function_value( &::SireSystem::IDAssigner::space );
IDAssigner_exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>()
, "Return the space used to calculate distances between the molecules\nand the identity points" );
}
{ //::SireSystem::IDAssigner::toString
typedef ::QString ( ::SireSystem::IDAssigner::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireSystem::IDAssigner::toString );
IDAssigner_exposer.def(
"toString"
, toString_function_value
, "Return a string representation of this assigner" );
}
{ //::SireSystem::IDAssigner::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireSystem::IDAssigner::typeName );
IDAssigner_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireSystem::IDAssigner::update
typedef void ( ::SireSystem::IDAssigner::*update_function_type)( ::SireSystem::System const & ) ;
update_function_type update_function_value( &::SireSystem::IDAssigner::update );
IDAssigner_exposer.def(
"update"
, update_function_value
, ( bp::arg("system") )
, "Update the assigner with the passed system." );
}
{ //::SireSystem::IDAssigner::what
typedef char const * ( ::SireSystem::IDAssigner::*what_function_type)( ) const;
what_function_type what_function_value( &::SireSystem::IDAssigner::what );
IDAssigner_exposer.def(
"what"
, what_function_value
, "" );
}
IDAssigner_exposer.staticmethod( "typeName" );
IDAssigner_exposer.def( "__copy__", &__copy__);
IDAssigner_exposer.def( "__deepcopy__", &__copy__);
IDAssigner_exposer.def( "clone", &__copy__);
IDAssigner_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::IDAssigner >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
IDAssigner_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::IDAssigner >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
IDAssigner_exposer.def( "__str__", &__str__< ::SireSystem::IDAssigner > );
IDAssigner_exposer.def( "__repr__", &__str__< ::SireSystem::IDAssigner > );
}
}
void register_PackedArray2D_int_Array_class(){
{ //::SireBase::detail::PackedArray2D_Array< int >
typedef bp::class_< SireBase::detail::PackedArray2D_Array< int > > PackedArray2D_int_Array_exposer_t;
PackedArray2D_int_Array_exposer_t PackedArray2D_int_Array_exposer = PackedArray2D_int_Array_exposer_t( "PackedArray2D_int_Array", bp::init< >() );
bp::scope PackedArray2D_int_Array_scope( PackedArray2D_int_Array_exposer );
PackedArray2D_int_Array_exposer.def( bp::init< quint32 >(( bp::arg("sz") )) );
PackedArray2D_int_Array_exposer.def( bp::init< quint32, int const & >(( bp::arg("sz"), bp::arg("value") )) );
PackedArray2D_int_Array_exposer.def( bp::init< QVector< int > const & >(( bp::arg("values") )) );
PackedArray2D_int_Array_exposer.def( bp::init< SireBase::detail::PackedArray2D_Array< int > const & >(( bp::arg("other") )) );
{ //::SireBase::detail::PackedArray2D_Array< int >::assertValidIndex
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef void ( ::SireBase::detail::PackedArray2D_Array< int >::*assertValidIndex_function_type )( ::quint32 ) const;
assertValidIndex_function_type assertValidIndex_function_value( &::SireBase::detail::PackedArray2D_Array< int >::assertValidIndex );
PackedArray2D_int_Array_exposer.def(
"assertValidIndex"
, assertValidIndex_function_value
, ( bp::arg("i") ) );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::at
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int const & ( ::SireBase::detail::PackedArray2D_Array< int >::*at_function_type )( ::quint32 ) const;
at_function_type at_function_value( &::SireBase::detail::PackedArray2D_Array< int >::at );
PackedArray2D_int_Array_exposer.def(
"at"
, at_function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::count
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int ( ::SireBase::detail::PackedArray2D_Array< int >::*count_function_type )( ) const;
count_function_type count_function_value( &::SireBase::detail::PackedArray2D_Array< int >::count );
PackedArray2D_int_Array_exposer.def(
"count"
, count_function_value );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::isEmpty
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef bool ( ::SireBase::detail::PackedArray2D_Array< int >::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireBase::detail::PackedArray2D_Array< int >::isEmpty );
PackedArray2D_int_Array_exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::nValues
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int ( ::SireBase::detail::PackedArray2D_Array< int >::*nValues_function_type )( ) const;
nValues_function_type nValues_function_value( &::SireBase::detail::PackedArray2D_Array< int >::nValues );
PackedArray2D_int_Array_exposer.def(
"nValues"
, nValues_function_value );
}
PackedArray2D_int_Array_exposer.def( bp::self != bp::self );
{ //::SireBase::detail::PackedArray2D_Array< int >::operator=
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef ::SireBase::detail::PackedArray2D_Array< int > & ( ::SireBase::detail::PackedArray2D_Array< int >::*assign_function_type )( ::SireBase::detail::PackedArray2D_Array< int > const & ) ;
assign_function_type assign_function_value( &::SireBase::detail::PackedArray2D_Array< int >::operator= );
PackedArray2D_int_Array_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
PackedArray2D_int_Array_exposer.def( bp::self == bp::self );
{ //::SireBase::detail::PackedArray2D_Array< int >::operator[]
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int const & ( ::SireBase::detail::PackedArray2D_Array< int >::*__getitem___function_type )( ::quint32 ) const;
__getitem___function_type __getitem___function_value( &::SireBase::detail::PackedArray2D_Array< int >::operator[] );
PackedArray2D_int_Array_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::operator[]
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int & ( ::SireBase::detail::PackedArray2D_Array< int >::*__getitem___function_type )( ::quint32 ) ;
__getitem___function_type __getitem___function_value( &::SireBase::detail::PackedArray2D_Array< int >::operator[] );
PackedArray2D_int_Array_exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_non_const_reference >() );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::size
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef int ( ::SireBase::detail::PackedArray2D_Array< int >::*size_function_type )( ) const;
size_function_type size_function_value( &::SireBase::detail::PackedArray2D_Array< int >::size );
PackedArray2D_int_Array_exposer.def(
"size"
, size_function_value );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::toQVector
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef ::QVector< int > ( ::SireBase::detail::PackedArray2D_Array< int >::*toQVector_function_type )( ) const;
toQVector_function_type toQVector_function_value( &::SireBase::detail::PackedArray2D_Array< int >::toQVector );
PackedArray2D_int_Array_exposer.def(
"toQVector"
, toQVector_function_value );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::toString
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef ::QString ( ::SireBase::detail::PackedArray2D_Array< int >::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireBase::detail::PackedArray2D_Array< int >::toString );
PackedArray2D_int_Array_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireBase::detail::PackedArray2D_Array< int >::update
typedef SireBase::detail::PackedArray2D_Array< int > exported_class_t;
typedef void ( ::SireBase::detail::PackedArray2D_Array< int >::*update_function_type )( ::SireBase::detail::PackedArray2D_Array< int > const & ) ;
update_function_type update_function_value( &::SireBase::detail::PackedArray2D_Array< int >::update );
PackedArray2D_int_Array_exposer.def(
"update"
, update_function_value
, ( bp::arg("other") ) );
}
PackedArray2D_int_Array_exposer.def( "__copy__", &__copy__);
PackedArray2D_int_Array_exposer.def( "__deepcopy__", &__copy__);
PackedArray2D_int_Array_exposer.def( "clone", &__copy__);
PackedArray2D_int_Array_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireBase::detail::PackedArray2D_Array<int> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PackedArray2D_int_Array_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireBase::detail::PackedArray2D_Array<int> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PackedArray2D_int_Array_exposer.def( "__str__", &__str__< ::SireBase::detail::PackedArray2D_Array<int> > );
PackedArray2D_int_Array_exposer.def( "__repr__", &__str__< ::SireBase::detail::PackedArray2D_Array<int> > );
PackedArray2D_int_Array_exposer.def( "__len__", &__len_size< ::SireBase::detail::PackedArray2D_Array<int> > );
}
}
void register_CloseMols_class() {
{ //::SireSystem::CloseMols
typedef bp::class_< SireSystem::CloseMols > CloseMols_exposer_t;
CloseMols_exposer_t CloseMols_exposer = CloseMols_exposer_t( "CloseMols", bp::init< >() );
bp::scope CloseMols_scope( CloseMols_exposer );
CloseMols_exposer.def( bp::init< SireFF::PointRef const &, SireMol::MoleculeGroup const &, bp::optional< int, SireBase::PropertyMap const & > >(( bp::arg("point"), bp::arg("molgroup"), bp::arg("nclosest")=(int)(1), bp::arg("map")=SireBase::PropertyMap() )) );
CloseMols_exposer.def( bp::init< SireFF::PointRef const &, SireMol::MoleculeGroup const &, SireVol::Space const &, bp::optional< int, SireBase::PropertyMap const & > >(( bp::arg("point"), bp::arg("molgroup"), bp::arg("space"), bp::arg("nclosest")=(int)(1), bp::arg("map")=SireBase::PropertyMap() )) );
CloseMols_exposer.def( bp::init< SireSystem::CloseMols const & >(( bp::arg("other") )) );
{ //::SireSystem::CloseMols::closeMolecules
typedef ::QHash< SireMol::MolNum, double > const & ( ::SireSystem::CloseMols::*closeMolecules_function_type )( ) const;
closeMolecules_function_type closeMolecules_function_value( &::SireSystem::CloseMols::closeMolecules );
CloseMols_exposer.def(
"closeMolecules"
, closeMolecules_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireSystem::CloseMols::isClose
typedef bool ( ::SireSystem::CloseMols::*isClose_function_type )( ::SireMol::MolNum ) const;
isClose_function_type isClose_function_value( &::SireSystem::CloseMols::isClose );
CloseMols_exposer.def(
"isClose"
, isClose_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireSystem::CloseMols::moleculeGroup
typedef ::SireMol::MoleculeGroup const & ( ::SireSystem::CloseMols::*moleculeGroup_function_type )( ) const;
moleculeGroup_function_type moleculeGroup_function_value( &::SireSystem::CloseMols::moleculeGroup );
CloseMols_exposer.def(
"moleculeGroup"
, moleculeGroup_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::CloseMols::nClosest
typedef int ( ::SireSystem::CloseMols::*nClosest_function_type )( ) const;
nClosest_function_type nClosest_function_value( &::SireSystem::CloseMols::nClosest );
CloseMols_exposer.def(
"nClosest"
, nClosest_function_value );
}
CloseMols_exposer.def( bp::self != bp::self );
{ //::SireSystem::CloseMols::operator=
typedef ::SireSystem::CloseMols & ( ::SireSystem::CloseMols::*assign_function_type )( ::SireSystem::CloseMols const & ) ;
assign_function_type assign_function_value( &::SireSystem::CloseMols::operator= );
CloseMols_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
CloseMols_exposer.def( bp::self == bp::self );
{ //::SireSystem::CloseMols::point
typedef ::SireFF::Point const & ( ::SireSystem::CloseMols::*point_function_type )( ) const;
point_function_type point_function_value( &::SireSystem::CloseMols::point );
CloseMols_exposer.def(
"point"
, point_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::CloseMols::propertyMap
typedef ::SireBase::PropertyMap const & ( ::SireSystem::CloseMols::*propertyMap_function_type )( ) const;
propertyMap_function_type propertyMap_function_value( &::SireSystem::CloseMols::propertyMap );
CloseMols_exposer.def(
"propertyMap"
, propertyMap_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireSystem::CloseMols::space
typedef ::SireVol::Space const & ( ::SireSystem::CloseMols::*space_function_type )( ) const;
space_function_type space_function_value( &::SireSystem::CloseMols::space );
CloseMols_exposer.def(
"space"
, space_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireSystem::CloseMols::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireSystem::CloseMols::typeName );
CloseMols_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireSystem::CloseMols::update
typedef bool ( ::SireSystem::CloseMols::*update_function_type )( ::SireSystem::System const & ) ;
update_function_type update_function_value( &::SireSystem::CloseMols::update );
CloseMols_exposer.def(
"update"
, update_function_value
, ( bp::arg("system") ) );
}
{ //::SireSystem::CloseMols::update
typedef bool ( ::SireSystem::CloseMols::*update_function_type )( ::SireSystem::System const &,::SireMol::MolNum ) ;
update_function_type update_function_value( &::SireSystem::CloseMols::update );
CloseMols_exposer.def(
"update"
, update_function_value
, ( bp::arg("system"), bp::arg("changed_mol") ) );
}
{ //::SireSystem::CloseMols::update
typedef bool ( ::SireSystem::CloseMols::*update_function_type )( ::SireSystem::System const &,::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireSystem::CloseMols::update );
CloseMols_exposer.def(
"update"
, update_function_value
, ( bp::arg("system"), bp::arg("molecules") ) );
}
{ //::SireSystem::CloseMols::what
typedef char const * ( ::SireSystem::CloseMols::*what_function_type )( ) const;
what_function_type what_function_value( &::SireSystem::CloseMols::what );
CloseMols_exposer.def(
"what"
, what_function_value );
}
CloseMols_exposer.staticmethod( "typeName" );
CloseMols_exposer.def( "__copy__", &__copy__);
CloseMols_exposer.def( "__deepcopy__", &__copy__);
CloseMols_exposer.def( "clone", &__copy__);
CloseMols_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::CloseMols >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CloseMols_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::CloseMols >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
CloseMols_exposer.def( "__str__", &pvt_get_name);
CloseMols_exposer.def( "__repr__", &pvt_get_name);
}
}
void register_Center_class(){
{ //::SireFF::Center
typedef bp::class_< SireFF::Center, bp::bases< SireFF::Point, SireBase::Property > > Center_exposer_t;
Center_exposer_t Center_exposer = Center_exposer_t( "Center", "This point returns the center of a view of a molecule, or group\nof molecules", bp::init< >("Constructor") );
bp::scope Center_scope( Center_exposer );
Center_exposer.def( bp::init< SireMol::MoleculeView const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to get the center of the molecule view molview using the\npassed property map to find the required properties\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\n") );
Center_exposer.def( bp::init< SireMol::Molecules const &, bp::optional< SireBase::PropertyMap const & > >(( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ), "Construct to get the center of the molecules in molecules, using the\npassed property map to find the required properties\nThrow: SireBase::missing_property\nThrow: SireError::invalid_cast\n") );
Center_exposer.def( bp::init< SireFF::Center const & >(( bp::arg("other") ), "Copy constructor") );
{ //::SireFF::Center::addForce
typedef bool ( ::SireFF::Center::*addForce_function_type)( ::SireFF::MolForceTable &,::SireMaths::Vector const & ) const;
addForce_function_type addForce_function_value( &::SireFF::Center::addForce );
Center_exposer.def(
"addForce"
, addForce_function_value
, ( bp::arg("molforces"), bp::arg("force") )
, "Decompose the force force acting on this point from the\nmolecule whose forces are in molforces and add the\nforce onto the table" );
}
{ //::SireFF::Center::addForce
typedef bool ( ::SireFF::Center::*addForce_function_type)( ::SireFF::ForceTable &,::SireMaths::Vector const & ) const;
addForce_function_type addForce_function_value( &::SireFF::Center::addForce );
Center_exposer.def(
"addForce"
, addForce_function_value
, ( bp::arg("forces"), bp::arg("force") )
, "Decompose the force force into the forces acting on\nthe molecules that contribute to this point and add those\nforces onto the table forces" );
}
{ //::SireFF::Center::contains
typedef bool ( ::SireFF::Center::*contains_function_type)( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireFF::Center::contains );
Center_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") )
, "Return whether or not the molecule with number molnum is\nneeded to generate this point" );
}
{ //::SireFF::Center::contains
typedef bool ( ::SireFF::Center::*contains_function_type)( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireFF::Center::contains );
Center_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") )
, "Return whether or not this molecule with ID molid is\nneeded to generate this point" );
}
{ //::SireFF::Center::isExtraMoleculePoint
typedef bool ( ::SireFF::Center::*isExtraMoleculePoint_function_type)( ) const;
isExtraMoleculePoint_function_type isExtraMoleculePoint_function_value( &::SireFF::Center::isExtraMoleculePoint );
Center_exposer.def(
"isExtraMoleculePoint"
, isExtraMoleculePoint_function_value
, "Return whether or not this is an extramolecular point (it is independent\nof the coordinates of atoms in any molecule, i.e. it is just a point in space)" );
}
{ //::SireFF::Center::isInterMoleculePoint
typedef bool ( ::SireFF::Center::*isInterMoleculePoint_function_type)( ) const;
isInterMoleculePoint_function_type isInterMoleculePoint_function_value( &::SireFF::Center::isInterMoleculePoint );
Center_exposer.def(
"isInterMoleculePoint"
, isInterMoleculePoint_function_value
, "Return whether or not this is an intermolecular point (it depends on\ncoordinates of atoms from than one molecule)" );
}
{ //::SireFF::Center::isIntraMoleculePoint
typedef bool ( ::SireFF::Center::*isIntraMoleculePoint_function_type)( ) const;
isIntraMoleculePoint_function_type isIntraMoleculePoint_function_value( &::SireFF::Center::isIntraMoleculePoint );
Center_exposer.def(
"isIntraMoleculePoint"
, isIntraMoleculePoint_function_value
, "Return whether this is an intramolecular point (it depends on coordinates\nof atoms in just one molecule)" );
}
{ //::SireFF::Center::molecules
typedef ::SireMol::Molecules ( ::SireFF::Center::*molecules_function_type)( ) const;
molecules_function_type molecules_function_value( &::SireFF::Center::molecules );
Center_exposer.def(
"molecules"
, molecules_function_value
, "Return all of the molecules used to generate this point" );
}
{ //::SireFF::Center::nMolecules
typedef int ( ::SireFF::Center::*nMolecules_function_type)( ) const;
nMolecules_function_type nMolecules_function_value( &::SireFF::Center::nMolecules );
Center_exposer.def(
"nMolecules"
, nMolecules_function_value
, "Return the number of molecules needed to generate this point" );
}
Center_exposer.def( bp::self != bp::self );
{ //::SireFF::Center::operator=
typedef ::SireFF::Center & ( ::SireFF::Center::*assign_function_type)( ::SireFF::Center const & ) ;
assign_function_type assign_function_value( &::SireFF::Center::operator= );
Center_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >()
, "" );
}
Center_exposer.def( bp::self == bp::self );
{ //::SireFF::Center::setSpace
typedef void ( ::SireFF::Center::*setSpace_function_type)( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireFF::Center::setSpace );
Center_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") )
, "Set the space - if there is more than one molecule, then this\npoint can only be used with a cartesian, non-periodic space" );
}
{ //::SireFF::Center::toString
typedef ::QString ( ::SireFF::Center::*toString_function_type)( ) const;
toString_function_type toString_function_value( &::SireFF::Center::toString );
Center_exposer.def(
"toString"
, toString_function_value
, "Return a string representation" );
}
{ //::SireFF::Center::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireFF::Center::typeName );
Center_exposer.def(
"typeName"
, typeName_function_value
, "" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MoleculeGroup const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molgroup") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::update
typedef bool ( ::SireFF::Center::*update_function_type)( ::SireMol::MolGroupsBase const & ) ;
update_function_type update_function_value( &::SireFF::Center::update );
Center_exposer.def(
"update"
, update_function_value
, ( bp::arg("molgroups") )
, "Update the molecules used to create this point" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") )
, "Return whether or not this point uses data from any of the\nmolecules in the passed forcetable" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") )
, "Return whether or not this point uses data from any of the\nmolecules in molecules" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::MoleculeGroup const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molgroup") )
, "Return whether or not this point uses data from any of the\nmolecules in the group molgroup" );
}
{ //::SireFF::Center::usesMoleculesIn
typedef bool ( ::SireFF::Center::*usesMoleculesIn_function_type)( ::SireMol::MolGroupsBase const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireFF::Center::usesMoleculesIn );
Center_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molgroups") )
, "Return whether or not this point uses data from any of the\nmolecules in the groups in molgroups" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MoleculeData const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("moldata") )
, "Return whether or not the passed molecule would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::Molecules const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molecules") )
, "Return whether or not the passed molecules would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MoleculeGroup const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molgroup") )
, "Return whether or not the passed molecules would change this point" );
}
{ //::SireFF::Center::wouldUpdate
typedef bool ( ::SireFF::Center::*wouldUpdate_function_type)( ::SireMol::MolGroupsBase const & ) const;
wouldUpdate_function_type wouldUpdate_function_value( &::SireFF::Center::wouldUpdate );
Center_exposer.def(
"wouldUpdate"
, wouldUpdate_function_value
, ( bp::arg("molgroups") )
, "Return whether or not the passed molecules would change this point" );
}
Center_exposer.staticmethod( "typeName" );
Center_exposer.def( "__copy__", &__copy__);
Center_exposer.def( "__deepcopy__", &__copy__);
Center_exposer.def( "clone", &__copy__);
Center_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::Center >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Center_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::Center >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
Center_exposer.def( "__str__", &__str__< ::SireFF::Center > );
Center_exposer.def( "__repr__", &__str__< ::SireFF::Center > );
}
}
void register_PackedArray2D_QString__class(){
{ //::SireBase::PackedArray2D< QString >
typedef bp::class_< SireBase::PackedArray2D< QString > > PackedArray2D_QString__exposer_t;
PackedArray2D_QString__exposer_t PackedArray2D_QString__exposer = PackedArray2D_QString__exposer_t( "PackedArray2D_QString_", bp::init< >() );
bp::scope PackedArray2D_QString__scope( PackedArray2D_QString__exposer );
PackedArray2D_QString__exposer.def( bp::init< SireBase::detail::PackedArray2D_Array< QString > const & >(( bp::arg("array") )) );
PackedArray2D_QString__exposer.def( bp::init< QVector< SireBase::detail::PackedArray2D_Array< QString > > const & >(( bp::arg("arrays") )) );
PackedArray2D_QString__exposer.def( bp::init< QVector< QString > const & >(( bp::arg("values") )) );
PackedArray2D_QString__exposer.def( bp::init< QVector< QVector< QString > > const & >(( bp::arg("values") )) );
PackedArray2D_QString__exposer.def( bp::init< SireBase::PackedArray2D< QString > const &, SireBase::PackedArray2D< QString > const & >(( bp::arg("array0"), bp::arg("array1") )) );
PackedArray2D_QString__exposer.def( bp::init< SireBase::PackedArray2D< QString > const & >(( bp::arg("other") )) );
{ //::SireBase::PackedArray2D< QString >::append
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*append_function_type )( ::SireBase::detail::PackedArray2D_Array< QString > const & ) ;
append_function_type append_function_value( &::SireBase::PackedArray2D< QString >::append );
PackedArray2D_QString__exposer.def(
"append"
, append_function_value
, ( bp::arg("array") ) );
}
{ //::SireBase::PackedArray2D< QString >::append
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*append_function_type )( ::SireBase::PackedArray2D< QString > const & ) ;
append_function_type append_function_value( &::SireBase::PackedArray2D< QString >::append );
PackedArray2D_QString__exposer.def(
"append"
, append_function_value
, ( bp::arg("arrays") ) );
}
{ //::SireBase::PackedArray2D< QString >::append
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*append_function_type )( ::QVector< QString > const & ) ;
append_function_type append_function_value( &::SireBase::PackedArray2D< QString >::append );
PackedArray2D_QString__exposer.def(
"append"
, append_function_value
, ( bp::arg("array") ) );
}
{ //::SireBase::PackedArray2D< QString >::append
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*append_function_type )( ::QVector< QVector< QString > > const & ) ;
append_function_type append_function_value( &::SireBase::PackedArray2D< QString >::append );
PackedArray2D_QString__exposer.def(
"append"
, append_function_value
, ( bp::arg("arrays") ) );
}
{ //::SireBase::PackedArray2D< QString >::assertValidIndex
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*assertValidIndex_function_type )( ::quint32 ) const;
assertValidIndex_function_type assertValidIndex_function_value( &::SireBase::PackedArray2D< QString >::assertValidIndex );
PackedArray2D_QString__exposer.def(
"assertValidIndex"
, assertValidIndex_function_value
, ( bp::arg("i") ) );
}
{ //::SireBase::PackedArray2D< QString >::at
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::SireBase::detail::PackedArray2D_Array< QString > const & ( ::SireBase::PackedArray2D< QString >::*at_function_type )( ::quint32 ) const;
at_function_type at_function_value( &::SireBase::PackedArray2D< QString >::at );
PackedArray2D_QString__exposer.def(
"at"
, at_function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::PackedArray2D< QString >::at
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::QString const & ( ::SireBase::PackedArray2D< QString >::*at_function_type )( ::quint32,::quint32 ) const;
at_function_type at_function_value( &::SireBase::PackedArray2D< QString >::at );
PackedArray2D_QString__exposer.def(
"at"
, at_function_value
, ( bp::arg("i"), bp::arg("j") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::PackedArray2D< QString >::count
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef int ( ::SireBase::PackedArray2D< QString >::*count_function_type )( ) const;
count_function_type count_function_value( &::SireBase::PackedArray2D< QString >::count );
PackedArray2D_QString__exposer.def(
"count"
, count_function_value );
}
{ //::SireBase::PackedArray2D< QString >::fromVariant
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::SireBase::PackedArray2D< QString > ( *fromVariant_function_type )( ::SireBase::PackedArray2D< QVariant > const & );
fromVariant_function_type fromVariant_function_value( &::SireBase::PackedArray2D< QString >::fromVariant );
PackedArray2D_QString__exposer.def(
"fromVariant"
, fromVariant_function_value
, ( bp::arg("variant") ) );
}
{ //::SireBase::PackedArray2D< QString >::isEmpty
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef bool ( ::SireBase::PackedArray2D< QString >::*isEmpty_function_type )( ) const;
isEmpty_function_type isEmpty_function_value( &::SireBase::PackedArray2D< QString >::isEmpty );
PackedArray2D_QString__exposer.def(
"isEmpty"
, isEmpty_function_value );
}
{ //::SireBase::PackedArray2D< QString >::nArrays
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef int ( ::SireBase::PackedArray2D< QString >::*nArrays_function_type )( ) const;
nArrays_function_type nArrays_function_value( &::SireBase::PackedArray2D< QString >::nArrays );
PackedArray2D_QString__exposer.def(
"nArrays"
, nArrays_function_value );
}
{ //::SireBase::PackedArray2D< QString >::nValues
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef int ( ::SireBase::PackedArray2D< QString >::*nValues_function_type )( ) const;
nValues_function_type nValues_function_value( &::SireBase::PackedArray2D< QString >::nValues );
PackedArray2D_QString__exposer.def(
"nValues"
, nValues_function_value );
}
{ //::SireBase::PackedArray2D< QString >::nValues
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef int ( ::SireBase::PackedArray2D< QString >::*nValues_function_type )( ::quint32 ) const;
nValues_function_type nValues_function_value( &::SireBase::PackedArray2D< QString >::nValues );
PackedArray2D_QString__exposer.def(
"nValues"
, nValues_function_value
, ( bp::arg("i") ) );
}
PackedArray2D_QString__exposer.def( bp::self != bp::self );
{ //::SireBase::PackedArray2D< QString >::operator()
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::QString const & ( ::SireBase::PackedArray2D< QString >::*__call___function_type )( ::quint32,::quint32 ) const;
__call___function_type __call___function_value( &::SireBase::PackedArray2D< QString >::operator() );
PackedArray2D_QString__exposer.def(
"__call__"
, __call___function_value
, ( bp::arg("i"), bp::arg("j") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::PackedArray2D< QString >::operator=
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::SireBase::PackedArray2D< QString > & ( ::SireBase::PackedArray2D< QString >::*assign_function_type )( ::SireBase::PackedArray2D< QString > const & ) ;
assign_function_type assign_function_value( &::SireBase::PackedArray2D< QString >::operator= );
PackedArray2D_QString__exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
PackedArray2D_QString__exposer.def( bp::self == bp::self );
{ //::SireBase::PackedArray2D< QString >::operator[]
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::SireBase::detail::PackedArray2D_Array< QString > const & ( ::SireBase::PackedArray2D< QString >::*__getitem___function_type )( ::quint32 ) const;
__getitem___function_type __getitem___function_value( &::SireBase::PackedArray2D< QString >::operator[] );
PackedArray2D_QString__exposer.def(
"__getitem__"
, __getitem___function_value
, ( bp::arg("i") )
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireBase::PackedArray2D< QString >::remove
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*remove_function_type )( ::quint32 ) ;
remove_function_type remove_function_value( &::SireBase::PackedArray2D< QString >::remove );
PackedArray2D_QString__exposer.def(
"remove"
, remove_function_value
, ( bp::arg("i") ) );
}
{ //::SireBase::PackedArray2D< QString >::removeAll
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*removeAll_function_type )( ::QVarLengthArray< int, 256 > const & ) ;
removeAll_function_type removeAll_function_value( &::SireBase::PackedArray2D< QString >::removeAll );
PackedArray2D_QString__exposer.def(
"removeAll"
, removeAll_function_value
, ( bp::arg("idxs") ) );
}
{ //::SireBase::PackedArray2D< QString >::size
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef int ( ::SireBase::PackedArray2D< QString >::*size_function_type )( ) const;
size_function_type size_function_value( &::SireBase::PackedArray2D< QString >::size );
PackedArray2D_QString__exposer.def(
"size"
, size_function_value );
}
{ //::SireBase::PackedArray2D< QString >::toQVector
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::QVector< QString > ( ::SireBase::PackedArray2D< QString >::*toQVector_function_type )( ) const;
toQVector_function_type toQVector_function_value( &::SireBase::PackedArray2D< QString >::toQVector );
PackedArray2D_QString__exposer.def(
"toQVector"
, toQVector_function_value );
}
{ //::SireBase::PackedArray2D< QString >::toQVectorVector
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::QVector< QVector< QString > > ( ::SireBase::PackedArray2D< QString >::*toQVectorVector_function_type )( ) const;
toQVectorVector_function_type toQVectorVector_function_value( &::SireBase::PackedArray2D< QString >::toQVectorVector );
PackedArray2D_QString__exposer.def(
"toQVectorVector"
, toQVectorVector_function_value );
}
{ //::SireBase::PackedArray2D< QString >::toString
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::QString ( ::SireBase::PackedArray2D< QString >::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireBase::PackedArray2D< QString >::toString );
PackedArray2D_QString__exposer.def(
"toString"
, toString_function_value );
}
{ //::SireBase::PackedArray2D< QString >::toVariant
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef ::SireBase::PackedArray2D< QVariant > ( ::SireBase::PackedArray2D< QString >::*toVariant_function_type )( ) const;
toVariant_function_type toVariant_function_value( &::SireBase::PackedArray2D< QString >::toVariant );
PackedArray2D_QString__exposer.def(
"toVariant"
, toVariant_function_value );
}
{ //::SireBase::PackedArray2D< QString >::update
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*update_function_type )( ::quint32,::SireBase::detail::PackedArray2D_Array< QString > const & ) ;
update_function_type update_function_value( &::SireBase::PackedArray2D< QString >::update );
PackedArray2D_QString__exposer.def(
"update"
, update_function_value
, ( bp::arg("i"), bp::arg("array") ) );
}
{ //::SireBase::PackedArray2D< QString >::update
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*update_function_type )( ::quint32,::QVector< QString > const & ) ;
update_function_type update_function_value( &::SireBase::PackedArray2D< QString >::update );
PackedArray2D_QString__exposer.def(
"update"
, update_function_value
, ( bp::arg("i"), bp::arg("array") ) );
}
{ //::SireBase::PackedArray2D< QString >::updateAll
typedef SireBase::PackedArray2D< QString > exported_class_t;
typedef void ( ::SireBase::PackedArray2D< QString >::*updateAll_function_type )( ::QVarLengthArray< int, 256 > const &,::SireBase::PackedArray2D< QString > const & ) ;
updateAll_function_type updateAll_function_value( &::SireBase::PackedArray2D< QString >::updateAll );
PackedArray2D_QString__exposer.def(
"updateAll"
, updateAll_function_value
, ( bp::arg("idxs"), bp::arg("arrays") ) );
}
PackedArray2D_QString__exposer.staticmethod( "fromVariant" );
PackedArray2D_QString__exposer.def( "__copy__", &__copy__);
PackedArray2D_QString__exposer.def( "__deepcopy__", &__copy__);
PackedArray2D_QString__exposer.def( "clone", &__copy__);
PackedArray2D_QString__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireBase::PackedArray2D<QString> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PackedArray2D_QString__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireBase::PackedArray2D<QString> >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
PackedArray2D_QString__exposer.def( "__str__", &__str__< ::SireBase::PackedArray2D<QString> > );
PackedArray2D_QString__exposer.def( "__repr__", &__str__< ::SireBase::PackedArray2D<QString> > );
PackedArray2D_QString__exposer.def( "__len__", &__len_size< ::SireBase::PackedArray2D<QString> > );
}
}
void register_NullRestraint_class() {
{ //::SireMM::NullRestraint
typedef bp::class_< SireMM::NullRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > NullRestraint_exposer_t;
NullRestraint_exposer_t NullRestraint_exposer = NullRestraint_exposer_t( "NullRestraint", bp::init< >() );
bp::scope NullRestraint_scope( NullRestraint_exposer );
NullRestraint_exposer.def( bp::init< SireMM::NullRestraint const & >(( bp::arg("other") )) );
{ //::SireMM::NullRestraint::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*builtinSymbols_function_type )( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::NullRestraint::builtinSymbols );
NullRestraint_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value );
}
{ //::SireMM::NullRestraint::builtinValues
typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*builtinValues_function_type )( ) const;
builtinValues_function_type builtinValues_function_value( &::SireMM::NullRestraint::builtinValues );
NullRestraint_exposer.def(
"builtinValues"
, builtinValues_function_value );
}
{ //::SireMM::NullRestraint::contains
typedef bool ( ::SireMM::NullRestraint::*contains_function_type )( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMM::NullRestraint::contains );
NullRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMM::NullRestraint::contains
typedef bool ( ::SireMM::NullRestraint::*contains_function_type )( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireMM::NullRestraint::contains );
NullRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") ) );
}
{ //::SireMM::NullRestraint::differentiate
typedef ::SireMM::RestraintPtr ( ::SireMM::NullRestraint::*differentiate_function_type )( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::NullRestraint::differentiate );
NullRestraint_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::NullRestraint::energy
typedef ::SireUnits::Dimension::MolarEnergy ( ::SireMM::NullRestraint::*energy_function_type )( ) const;
energy_function_type energy_function_value( &::SireMM::NullRestraint::energy );
NullRestraint_exposer.def(
"energy"
, energy_function_value );
}
{ //::SireMM::NullRestraint::force
typedef void ( ::SireMM::NullRestraint::*force_function_type )( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::NullRestraint::force );
NullRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::NullRestraint::force
typedef void ( ::SireMM::NullRestraint::*force_function_type )( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::NullRestraint::force );
NullRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::NullRestraint::getValue
typedef double ( ::SireMM::NullRestraint::*getValue_function_type )( ::SireCAS::Symbol const & ) const;
getValue_function_type getValue_function_value( &::SireMM::NullRestraint::getValue );
NullRestraint_exposer.def(
"getValue"
, getValue_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::NullRestraint::hasValue
typedef bool ( ::SireMM::NullRestraint::*hasValue_function_type )( ::SireCAS::Symbol const & ) const;
hasValue_function_type hasValue_function_value( &::SireMM::NullRestraint::hasValue );
NullRestraint_exposer.def(
"hasValue"
, hasValue_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::NullRestraint::molecules
typedef ::SireMol::Molecules ( ::SireMM::NullRestraint::*molecules_function_type )( ) const;
molecules_function_type molecules_function_value( &::SireMM::NullRestraint::molecules );
NullRestraint_exposer.def(
"molecules"
, molecules_function_value );
}
NullRestraint_exposer.def( bp::self != bp::self );
{ //::SireMM::NullRestraint::operator=
typedef ::SireMM::NullRestraint & ( ::SireMM::NullRestraint::*assign_function_type )( ::SireMM::NullRestraint const & ) ;
assign_function_type assign_function_value( &::SireMM::NullRestraint::operator= );
NullRestraint_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
NullRestraint_exposer.def( bp::self == bp::self );
{ //::SireMM::NullRestraint::setValue
typedef void ( ::SireMM::NullRestraint::*setValue_function_type )( ::SireCAS::Symbol const &,double ) ;
setValue_function_type setValue_function_value( &::SireMM::NullRestraint::setValue );
NullRestraint_exposer.def(
"setValue"
, setValue_function_value
, ( bp::arg("symbol"), bp::arg("value") ) );
}
{ //::SireMM::NullRestraint::symbols
typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*symbols_function_type )( ) const;
symbols_function_type symbols_function_value( &::SireMM::NullRestraint::symbols );
NullRestraint_exposer.def(
"symbols"
, symbols_function_value );
}
{ //::SireMM::NullRestraint::toString
typedef ::QString ( ::SireMM::NullRestraint::*toString_function_type )( ) const;
toString_function_type toString_function_value( &::SireMM::NullRestraint::toString );
NullRestraint_exposer.def(
"toString"
, toString_function_value );
}
{ //::SireMM::NullRestraint::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::NullRestraint::typeName );
NullRestraint_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::NullRestraint::update
typedef void ( ::SireMM::NullRestraint::*update_function_type )( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMM::NullRestraint::update );
NullRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") ) );
}
{ //::SireMM::NullRestraint::update
typedef void ( ::SireMM::NullRestraint::*update_function_type )( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMM::NullRestraint::update );
NullRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::NullRestraint::userSymbols
typedef ::SireCAS::Symbols ( ::SireMM::NullRestraint::*userSymbols_function_type )( ) const;
userSymbols_function_type userSymbols_function_value( &::SireMM::NullRestraint::userSymbols );
NullRestraint_exposer.def(
"userSymbols"
, userSymbols_function_value );
}
{ //::SireMM::NullRestraint::userValues
typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*userValues_function_type )( ) const;
userValues_function_type userValues_function_value( &::SireMM::NullRestraint::userValues );
NullRestraint_exposer.def(
"userValues"
, userValues_function_value );
}
{ //::SireMM::NullRestraint::usesMoleculesIn
typedef bool ( ::SireMM::NullRestraint::*usesMoleculesIn_function_type )( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::NullRestraint::usesMoleculesIn );
NullRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") ) );
}
{ //::SireMM::NullRestraint::usesMoleculesIn
typedef bool ( ::SireMM::NullRestraint::*usesMoleculesIn_function_type )( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::NullRestraint::usesMoleculesIn );
NullRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::NullRestraint::values
typedef ::SireCAS::Values ( ::SireMM::NullRestraint::*values_function_type )( ) const;
values_function_type values_function_value( &::SireMM::NullRestraint::values );
NullRestraint_exposer.def(
"values"
, values_function_value );
}
NullRestraint_exposer.staticmethod( "typeName" );
NullRestraint_exposer.def( "__copy__", &__copy__);
NullRestraint_exposer.def( "__deepcopy__", &__copy__);
NullRestraint_exposer.def( "clone", &__copy__);
NullRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::NullRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
NullRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::NullRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
NullRestraint_exposer.def( "__str__", &__str__< ::SireMM::NullRestraint > );
NullRestraint_exposer.def( "__repr__", &__str__< ::SireMM::NullRestraint > );
}
}
void register_DoubleDistanceRestraint_class(){
{ //::SireMM::DoubleDistanceRestraint
typedef bp::class_< SireMM::DoubleDistanceRestraint, bp::bases< SireMM::Restraint3D, SireMM::Restraint, SireBase::Property > > DoubleDistanceRestraint_exposer_t;
DoubleDistanceRestraint_exposer_t DoubleDistanceRestraint_exposer = DoubleDistanceRestraint_exposer_t( "DoubleDistanceRestraint", bp::init< >() );
bp::scope DoubleDistanceRestraint_scope( DoubleDistanceRestraint_exposer );
DoubleDistanceRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint") )) );
DoubleDistanceRestraint_exposer.def( bp::init< SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireFF::PointRef const &, SireCAS::Expression const &, SireCAS::Values const & >(( bp::arg("point0"), bp::arg("point1"), bp::arg("point2"), bp::arg("point3"), bp::arg("restraint"), bp::arg("values") )) );
DoubleDistanceRestraint_exposer.def( bp::init< SireMM::DoubleDistanceRestraint const & >(( bp::arg("other") )) );
{ //::SireMM::DoubleDistanceRestraint::builtinSymbols
typedef ::SireCAS::Symbols ( ::SireMM::DoubleDistanceRestraint::*builtinSymbols_function_type )( ) const;
builtinSymbols_function_type builtinSymbols_function_value( &::SireMM::DoubleDistanceRestraint::builtinSymbols );
DoubleDistanceRestraint_exposer.def(
"builtinSymbols"
, builtinSymbols_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::builtinValues
typedef ::SireCAS::Values ( ::SireMM::DoubleDistanceRestraint::*builtinValues_function_type )( ) const;
builtinValues_function_type builtinValues_function_value( &::SireMM::DoubleDistanceRestraint::builtinValues );
DoubleDistanceRestraint_exposer.def(
"builtinValues"
, builtinValues_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::contains
typedef bool ( ::SireMM::DoubleDistanceRestraint::*contains_function_type )( ::SireMol::MolNum ) const;
contains_function_type contains_function_value( &::SireMM::DoubleDistanceRestraint::contains );
DoubleDistanceRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molnum") ) );
}
{ //::SireMM::DoubleDistanceRestraint::contains
typedef bool ( ::SireMM::DoubleDistanceRestraint::*contains_function_type )( ::SireMol::MolID const & ) const;
contains_function_type contains_function_value( &::SireMM::DoubleDistanceRestraint::contains );
DoubleDistanceRestraint_exposer.def(
"contains"
, contains_function_value
, ( bp::arg("molid") ) );
}
{ //::SireMM::DoubleDistanceRestraint::differentialRestraintFunction01
typedef ::SireCAS::Expression const & ( ::SireMM::DoubleDistanceRestraint::*differentialRestraintFunction01_function_type )( ) const;
differentialRestraintFunction01_function_type differentialRestraintFunction01_function_value( &::SireMM::DoubleDistanceRestraint::differentialRestraintFunction01 );
DoubleDistanceRestraint_exposer.def(
"differentialRestraintFunction01"
, differentialRestraintFunction01_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::DoubleDistanceRestraint::differentialRestraintFunction23
typedef ::SireCAS::Expression const & ( ::SireMM::DoubleDistanceRestraint::*differentialRestraintFunction23_function_type )( ) const;
differentialRestraintFunction23_function_type differentialRestraintFunction23_function_value( &::SireMM::DoubleDistanceRestraint::differentialRestraintFunction23 );
DoubleDistanceRestraint_exposer.def(
"differentialRestraintFunction23"
, differentialRestraintFunction23_function_value
, bp::return_value_policy< bp::copy_const_reference >() );
}
{ //::SireMM::DoubleDistanceRestraint::differentiate
typedef ::SireMM::RestraintPtr ( ::SireMM::DoubleDistanceRestraint::*differentiate_function_type )( ::SireCAS::Symbol const & ) const;
differentiate_function_type differentiate_function_value( &::SireMM::DoubleDistanceRestraint::differentiate );
DoubleDistanceRestraint_exposer.def(
"differentiate"
, differentiate_function_value
, ( bp::arg("symbol") ) );
}
{ //::SireMM::DoubleDistanceRestraint::force
typedef void ( ::SireMM::DoubleDistanceRestraint::*force_function_type )( ::SireFF::MolForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DoubleDistanceRestraint::force );
DoubleDistanceRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::DoubleDistanceRestraint::force
typedef void ( ::SireMM::DoubleDistanceRestraint::*force_function_type )( ::SireFF::ForceTable &,double ) const;
force_function_type force_function_value( &::SireMM::DoubleDistanceRestraint::force );
DoubleDistanceRestraint_exposer.def(
"force"
, force_function_value
, ( bp::arg("forcetable"), bp::arg("scale_force")=1 ) );
}
{ //::SireMM::DoubleDistanceRestraint::molecules
typedef ::SireMol::Molecules ( ::SireMM::DoubleDistanceRestraint::*molecules_function_type )( ) const;
molecules_function_type molecules_function_value( &::SireMM::DoubleDistanceRestraint::molecules );
DoubleDistanceRestraint_exposer.def(
"molecules"
, molecules_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::nPoints
typedef int ( ::SireMM::DoubleDistanceRestraint::*nPoints_function_type )( ) const;
nPoints_function_type nPoints_function_value( &::SireMM::DoubleDistanceRestraint::nPoints );
DoubleDistanceRestraint_exposer.def(
"nPoints"
, nPoints_function_value );
}
DoubleDistanceRestraint_exposer.def( bp::self != bp::self );
{ //::SireMM::DoubleDistanceRestraint::operator=
typedef ::SireMM::DoubleDistanceRestraint & ( ::SireMM::DoubleDistanceRestraint::*assign_function_type )( ::SireMM::DoubleDistanceRestraint const & ) ;
assign_function_type assign_function_value( &::SireMM::DoubleDistanceRestraint::operator= );
DoubleDistanceRestraint_exposer.def(
"assign"
, assign_function_value
, ( bp::arg("other") )
, bp::return_self< >() );
}
DoubleDistanceRestraint_exposer.def( bp::self == bp::self );
{ //::SireMM::DoubleDistanceRestraint::point
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point_function_type )( int ) const;
point_function_type point_function_value( &::SireMM::DoubleDistanceRestraint::point );
DoubleDistanceRestraint_exposer.def(
"point"
, point_function_value
, ( bp::arg("i") )
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point0
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point0_function_type )( ) const;
point0_function_type point0_function_value( &::SireMM::DoubleDistanceRestraint::point0 );
DoubleDistanceRestraint_exposer.def(
"point0"
, point0_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point1
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point1_function_type )( ) const;
point1_function_type point1_function_value( &::SireMM::DoubleDistanceRestraint::point1 );
DoubleDistanceRestraint_exposer.def(
"point1"
, point1_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point2
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point2_function_type )( ) const;
point2_function_type point2_function_value( &::SireMM::DoubleDistanceRestraint::point2 );
DoubleDistanceRestraint_exposer.def(
"point2"
, point2_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::point3
typedef ::SireFF::Point const & ( ::SireMM::DoubleDistanceRestraint::*point3_function_type )( ) const;
point3_function_type point3_function_value( &::SireMM::DoubleDistanceRestraint::point3 );
DoubleDistanceRestraint_exposer.def(
"point3"
, point3_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::r01
typedef ::SireCAS::Symbol const & ( *r01_function_type )( );
r01_function_type r01_function_value( &::SireMM::DoubleDistanceRestraint::r01 );
DoubleDistanceRestraint_exposer.def(
"r01"
, r01_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::r23
typedef ::SireCAS::Symbol const & ( *r23_function_type )( );
r23_function_type r23_function_value( &::SireMM::DoubleDistanceRestraint::r23 );
DoubleDistanceRestraint_exposer.def(
"r23"
, r23_function_value
, bp::return_value_policy<bp::clone_const_reference>() );
}
{ //::SireMM::DoubleDistanceRestraint::setSpace
typedef void ( ::SireMM::DoubleDistanceRestraint::*setSpace_function_type )( ::SireVol::Space const & ) ;
setSpace_function_type setSpace_function_value( &::SireMM::DoubleDistanceRestraint::setSpace );
DoubleDistanceRestraint_exposer.def(
"setSpace"
, setSpace_function_value
, ( bp::arg("space") ) );
}
{ //::SireMM::DoubleDistanceRestraint::typeName
typedef char const * ( *typeName_function_type )( );
typeName_function_type typeName_function_value( &::SireMM::DoubleDistanceRestraint::typeName );
DoubleDistanceRestraint_exposer.def(
"typeName"
, typeName_function_value );
}
{ //::SireMM::DoubleDistanceRestraint::update
typedef void ( ::SireMM::DoubleDistanceRestraint::*update_function_type )( ::SireMol::MoleculeData const & ) ;
update_function_type update_function_value( &::SireMM::DoubleDistanceRestraint::update );
DoubleDistanceRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("moldata") ) );
}
{ //::SireMM::DoubleDistanceRestraint::update
typedef void ( ::SireMM::DoubleDistanceRestraint::*update_function_type )( ::SireMol::Molecules const & ) ;
update_function_type update_function_value( &::SireMM::DoubleDistanceRestraint::update );
DoubleDistanceRestraint_exposer.def(
"update"
, update_function_value
, ( bp::arg("molecules") ) );
}
{ //::SireMM::DoubleDistanceRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DoubleDistanceRestraint::*usesMoleculesIn_function_type )( ::SireFF::ForceTable const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DoubleDistanceRestraint::usesMoleculesIn );
DoubleDistanceRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("forcetable") ) );
}
{ //::SireMM::DoubleDistanceRestraint::usesMoleculesIn
typedef bool ( ::SireMM::DoubleDistanceRestraint::*usesMoleculesIn_function_type )( ::SireMol::Molecules const & ) const;
usesMoleculesIn_function_type usesMoleculesIn_function_value( &::SireMM::DoubleDistanceRestraint::usesMoleculesIn );
DoubleDistanceRestraint_exposer.def(
"usesMoleculesIn"
, usesMoleculesIn_function_value
, ( bp::arg("molecules") ) );
}
DoubleDistanceRestraint_exposer.staticmethod( "r01" );
DoubleDistanceRestraint_exposer.staticmethod( "r23" );
DoubleDistanceRestraint_exposer.staticmethod( "typeName" );
DoubleDistanceRestraint_exposer.def( "__copy__", &__copy__);
DoubleDistanceRestraint_exposer.def( "__deepcopy__", &__copy__);
DoubleDistanceRestraint_exposer.def( "clone", &__copy__);
DoubleDistanceRestraint_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::DoubleDistanceRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DoubleDistanceRestraint_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::DoubleDistanceRestraint >,
bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() );
DoubleDistanceRestraint_exposer.def( "__str__", &__str__< ::SireMM::DoubleDistanceRestraint > );
DoubleDistanceRestraint_exposer.def( "__repr__", &__str__< ::SireMM::DoubleDistanceRestraint > );
}
}
