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_AverageAndStddev_class(){ { //::SireMaths::AverageAndStddev typedef bp::class_< SireMaths::AverageAndStddev, bp::bases< SireMaths::Average, SireMaths::Accumulator, SireBase::Property > > AverageAndStddev_exposer_t; AverageAndStddev_exposer_t AverageAndStddev_exposer = AverageAndStddev_exposer_t( "AverageAndStddev", bp::init< >() ); bp::scope AverageAndStddev_scope( AverageAndStddev_exposer ); AverageAndStddev_exposer.def( bp::init< SireMaths::AverageAndStddev const & >(( bp::arg("other") )) ); { //::SireMaths::AverageAndStddev::accumulate typedef void ( ::SireMaths::AverageAndStddev::*accumulate_function_type )( double ) ; accumulate_function_type accumulate_function_value( &::SireMaths::AverageAndStddev::accumulate ); AverageAndStddev_exposer.def( "accumulate" , accumulate_function_value , ( bp::arg("value") ) ); } { //::SireMaths::AverageAndStddev::clear typedef void ( ::SireMaths::AverageAndStddev::*clear_function_type )( ) ; clear_function_type clear_function_value( &::SireMaths::AverageAndStddev::clear ); AverageAndStddev_exposer.def( "clear" , clear_function_value ); } { //::SireMaths::AverageAndStddev::meanOfSquares typedef double ( ::SireMaths::AverageAndStddev::*meanOfSquares_function_type )( ) const; meanOfSquares_function_type meanOfSquares_function_value( &::SireMaths::AverageAndStddev::meanOfSquares ); AverageAndStddev_exposer.def( "meanOfSquares" , meanOfSquares_function_value ); } AverageAndStddev_exposer.def( bp::self != bp::self ); AverageAndStddev_exposer.def( bp::self + bp::self ); { //::SireMaths::AverageAndStddev::operator= typedef ::SireMaths::AverageAndStddev & ( ::SireMaths::AverageAndStddev::*assign_function_type )( ::SireMaths::AverageAndStddev const & ) ; assign_function_type assign_function_value( &::SireMaths::AverageAndStddev::operator= ); AverageAndStddev_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } AverageAndStddev_exposer.def( bp::self == bp::self ); { //::SireMaths::AverageAndStddev::standardDeviation typedef double ( ::SireMaths::AverageAndStddev::*standardDeviation_function_type )( ) const; standardDeviation_function_type standardDeviation_function_value( &::SireMaths::AverageAndStddev::standardDeviation ); AverageAndStddev_exposer.def( "standardDeviation" , standardDeviation_function_value ); } { //::SireMaths::AverageAndStddev::standardError typedef double ( ::SireMaths::AverageAndStddev::*standardError_function_type )( ) const; standardError_function_type standardError_function_value( &::SireMaths::AverageAndStddev::standardError ); AverageAndStddev_exposer.def( "standardError" , standardError_function_value ); } { //::SireMaths::AverageAndStddev::standardError typedef double ( ::SireMaths::AverageAndStddev::*standardError_function_type )( int ) const; standardError_function_type standardError_function_value( &::SireMaths::AverageAndStddev::standardError ); AverageAndStddev_exposer.def( "standardError" , standardError_function_value , ( bp::arg("level") ) ); } { //::SireMaths::AverageAndStddev::stddev typedef double ( ::SireMaths::AverageAndStddev::*stddev_function_type )( ) const; stddev_function_type stddev_function_value( &::SireMaths::AverageAndStddev::stddev ); AverageAndStddev_exposer.def( "stddev" , stddev_function_value ); } { //::SireMaths::AverageAndStddev::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMaths::AverageAndStddev::typeName ); AverageAndStddev_exposer.def( "typeName" , typeName_function_value ); } AverageAndStddev_exposer.staticmethod( "typeName" ); AverageAndStddev_exposer.def( "__copy__", &__copy__); AverageAndStddev_exposer.def( "__deepcopy__", &__copy__); AverageAndStddev_exposer.def( "clone", &__copy__); AverageAndStddev_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMaths::AverageAndStddev >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AverageAndStddev_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMaths::AverageAndStddev >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AverageAndStddev_exposer.def( "__str__", &__str__< ::SireMaths::AverageAndStddev > ); AverageAndStddev_exposer.def( "__repr__", &__str__< ::SireMaths::AverageAndStddev > ); } }
void register_CLJWorkspace_class(){ { //::SireMM::CLJWorkspace typedef bp::class_< SireMM::CLJWorkspace > CLJWorkspace_exposer_t; CLJWorkspace_exposer_t CLJWorkspace_exposer = CLJWorkspace_exposer_t( "CLJWorkspace", "This class provides a workspace in which to hold the details of the changes\nthat occur in a CLJ forcefield during a Monte Carlo move. The class is optimised\nto avoid copying or duplicating data during Sires copy-on-write copying\n(e.g. the memory allocated in a workspace will always be available for the\nnew copy of a forcefield rather than the old, which, if things work correctly,\nwill mean that there should be no memory allocation during simple MC moves...)\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") ); bp::scope CLJWorkspace_scope( CLJWorkspace_exposer ); CLJWorkspace_exposer.def( bp::init< SireMM::CLJWorkspace const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMM::CLJWorkspace::accept typedef void ( ::SireMM::CLJWorkspace::*accept_function_type)( ::SireMM::CLJBoxes & ) ; accept_function_type accept_function_value( &::SireMM::CLJWorkspace::accept ); CLJWorkspace_exposer.def( "accept" , accept_function_value , ( bp::arg("boxes") ) , "Accept this workspace - this clears the recalc_from_scratch flag as it\nsignals that we have put the CLJBoxes into a sane state" ); } { //::SireMM::CLJWorkspace::at typedef ::SireMM::CLJDelta const & ( ::SireMM::CLJWorkspace::*at_function_type)( int ) const; at_function_type at_function_value( &::SireMM::CLJWorkspace::at ); CLJWorkspace_exposer.def( "at" , at_function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() , "Return the ith delta" ); } { //::SireMM::CLJWorkspace::changedAtoms typedef ::SireMM::CLJAtoms ( ::SireMM::CLJWorkspace::*changedAtoms_function_type)( ) const; changedAtoms_function_type changedAtoms_function_value( &::SireMM::CLJWorkspace::changedAtoms ); CLJWorkspace_exposer.def( "changedAtoms" , changedAtoms_function_value , "Merge all of the deltas together into a single set of changed CLJAtoms that\ncan be used for the change in energy calculation" ); } { //::SireMM::CLJWorkspace::clear typedef void ( ::SireMM::CLJWorkspace::*clear_function_type)( ) ; clear_function_type clear_function_value( &::SireMM::CLJWorkspace::clear ); CLJWorkspace_exposer.def( "clear" , clear_function_value , "Clear this workspace" ); } { //::SireMM::CLJWorkspace::commit typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJWorkspace::*commit_function_type)( ::SireMM::CLJBoxes &,::SireMM::CLJDelta const & ) ; commit_function_type commit_function_value( &::SireMM::CLJWorkspace::commit ); CLJWorkspace_exposer.def( "commit" , commit_function_value , ( bp::arg("boxes"), bp::arg("delta") ) , "Commit the changes in the passed delta into the passed CLJBoxes" ); } { //::SireMM::CLJWorkspace::count typedef int ( ::SireMM::CLJWorkspace::*count_function_type)( ) const; count_function_type count_function_value( &::SireMM::CLJWorkspace::count ); CLJWorkspace_exposer.def( "count" , count_function_value , "Return the number of deltas" ); } { //::SireMM::CLJWorkspace::getitem typedef ::SireMM::CLJDelta ( ::SireMM::CLJWorkspace::*getitem_function_type)( int ) const; getitem_function_type getitem_function_value( &::SireMM::CLJWorkspace::getitem ); CLJWorkspace_exposer.def( "getitem" , getitem_function_value , ( bp::arg("i") ) , "Return the ith delta" ); } { //::SireMM::CLJWorkspace::isEmpty typedef bool ( ::SireMM::CLJWorkspace::*isEmpty_function_type)( ) const; isEmpty_function_type isEmpty_function_value( &::SireMM::CLJWorkspace::isEmpty ); CLJWorkspace_exposer.def( "isEmpty" , isEmpty_function_value , "Return whether or not this workspace is empty" ); } { //::SireMM::CLJWorkspace::isSingleID typedef bool ( ::SireMM::CLJWorkspace::*isSingleID_function_type)( ) const; isSingleID_function_type isSingleID_function_value( &::SireMM::CLJWorkspace::isSingleID ); CLJWorkspace_exposer.def( "isSingleID" , isSingleID_function_value , "Return whether or not this workspace contains deltas with a single\nID (a single CLJAtoms ID)" ); } { //::SireMM::CLJWorkspace::merge typedef ::boost::tuples::tuple< SireMM::CLJAtoms, SireMM::CLJAtoms, SireMM::CLJAtoms, 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::CLJWorkspace::*merge_function_type)( ) const; merge_function_type merge_function_value( &::SireMM::CLJWorkspace::merge ); CLJWorkspace_exposer.def( "merge" , merge_function_value , "Merge all of the deltas together to return the tuple of the\nchanged, old and new atoms. This is equivalent to calling\nchangedAtoms(), oldAtoms() and newAtoms() and placing them\ninto a tuple. This is more efficient than three separate calls" ); } { //::SireMM::CLJWorkspace::mustRecalculateFromScratch typedef void ( ::SireMM::CLJWorkspace::*mustRecalculateFromScratch_function_type)( ::SireMM::CLJBoxes & ) ; mustRecalculateFromScratch_function_type mustRecalculateFromScratch_function_value( &::SireMM::CLJWorkspace::mustRecalculateFromScratch ); CLJWorkspace_exposer.def( "mustRecalculateFromScratch" , mustRecalculateFromScratch_function_value , ( bp::arg("boxes") ) , "Tell the workspace that we are now recalculating everything from scratch" ); } { //::SireMM::CLJWorkspace::nDeltas typedef int ( ::SireMM::CLJWorkspace::*nDeltas_function_type)( ) const; nDeltas_function_type nDeltas_function_value( &::SireMM::CLJWorkspace::nDeltas ); CLJWorkspace_exposer.def( "nDeltas" , nDeltas_function_value , "Return the number of deltas in this workspace" ); } { //::SireMM::CLJWorkspace::needsAccepting typedef bool ( ::SireMM::CLJWorkspace::*needsAccepting_function_type)( ) const; needsAccepting_function_type needsAccepting_function_value( &::SireMM::CLJWorkspace::needsAccepting ); CLJWorkspace_exposer.def( "needsAccepting" , needsAccepting_function_value , "Return whether or not this workspace needs accepting" ); } { //::SireMM::CLJWorkspace::newAtoms typedef ::SireMM::CLJAtoms ( ::SireMM::CLJWorkspace::*newAtoms_function_type)( ) const; newAtoms_function_type newAtoms_function_value( &::SireMM::CLJWorkspace::newAtoms ); CLJWorkspace_exposer.def( "newAtoms" , newAtoms_function_value , "Merge all of the new atoms from the deltas together into a single\nset of new CLJAtoms that can be used for the change in energy calculation" ); } { //::SireMM::CLJWorkspace::oldAtoms typedef ::SireMM::CLJAtoms ( ::SireMM::CLJWorkspace::*oldAtoms_function_type)( ) const; oldAtoms_function_type oldAtoms_function_value( &::SireMM::CLJWorkspace::oldAtoms ); CLJWorkspace_exposer.def( "oldAtoms" , oldAtoms_function_value , "Merge all of the old atoms from the deltas together into a single\nset of old CLJAtoms that can be used for the change in energy calculation" ); } CLJWorkspace_exposer.def( bp::self != bp::self ); { //::SireMM::CLJWorkspace::operator= typedef ::SireMM::CLJWorkspace & ( ::SireMM::CLJWorkspace::*assign_function_type)( ::SireMM::CLJWorkspace const & ) ; assign_function_type assign_function_value( &::SireMM::CLJWorkspace::operator= ); CLJWorkspace_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } CLJWorkspace_exposer.def( bp::self == bp::self ); { //::SireMM::CLJWorkspace::operator[] typedef ::SireMM::CLJDelta const & ( ::SireMM::CLJWorkspace::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireMM::CLJWorkspace::operator[] ); CLJWorkspace_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMM::CLJWorkspace::push typedef ::SireMM::CLJDelta ( ::SireMM::CLJWorkspace::*push_function_type)( ::SireMM::CLJBoxes &,::QVector< SireMM::CLJBoxIndex > const &,::SireMM::CLJAtoms const &,::SireMM::CLJDelta const & ) ; push_function_type push_function_value( &::SireMM::CLJWorkspace::push ); CLJWorkspace_exposer.def( "push" , push_function_value , ( bp::arg("boxes"), bp::arg("old_atoms"), bp::arg("new_atoms"), bp::arg("old_delta") ) , "Push the passed change onto the workspace. This changes the atoms in the\npassed CLJBoxes from their values in old_atoms to their values in the\npassed new_atoms. The last CLJDelta used for these atoms is supplied as\nold_delta, and this returns the new CLJDelta for these atoms." ); } { //::SireMM::CLJWorkspace::recalculatingFromScratch typedef bool ( ::SireMM::CLJWorkspace::*recalculatingFromScratch_function_type)( ) const; recalculatingFromScratch_function_type recalculatingFromScratch_function_value( &::SireMM::CLJWorkspace::recalculatingFromScratch ); CLJWorkspace_exposer.def( "recalculatingFromScratch" , recalculatingFromScratch_function_value , "Return whether or not we are recalculating everything from scratch" ); } { //::SireMM::CLJWorkspace::removeSameIDAtoms typedef void ( ::SireMM::CLJWorkspace::*removeSameIDAtoms_function_type)( ::SireMM::CLJBoxes & ) ; removeSameIDAtoms_function_type removeSameIDAtoms_function_value( &::SireMM::CLJWorkspace::removeSameIDAtoms ); CLJWorkspace_exposer.def( "removeSameIDAtoms" , removeSameIDAtoms_function_value , ( bp::arg("boxes") ) , "Internal function used to fully remove atoms that have not been\nremoved because they all have the same ID. This is used when the\noptimisation of not removing same ID atoms would break the energy\ncalculation, e.g. if we have multiple CLJGroups and have multiple\nchanged IDs across these groups" ); } { //::SireMM::CLJWorkspace::revert typedef ::QVector< SireMM::CLJBoxIndex > ( ::SireMM::CLJWorkspace::*revert_function_type)( ::SireMM::CLJBoxes &,::SireMM::CLJDelta const & ) ; revert_function_type revert_function_value( &::SireMM::CLJWorkspace::revert ); CLJWorkspace_exposer.def( "revert" , revert_function_value , ( bp::arg("boxes"), bp::arg("delta") ) , "Revert the changes supplied in the passed delta" ); } { //::SireMM::CLJWorkspace::size typedef int ( ::SireMM::CLJWorkspace::*size_function_type)( ) const; size_function_type size_function_value( &::SireMM::CLJWorkspace::size ); CLJWorkspace_exposer.def( "size" , size_function_value , "Return the number of deltas" ); } { //::SireMM::CLJWorkspace::toString typedef ::QString ( ::SireMM::CLJWorkspace::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMM::CLJWorkspace::toString ); CLJWorkspace_exposer.def( "toString" , toString_function_value , "" ); } { //::SireMM::CLJWorkspace::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJWorkspace::typeName ); CLJWorkspace_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMM::CLJWorkspace::what typedef char const * ( ::SireMM::CLJWorkspace::*what_function_type)( ) const; what_function_type what_function_value( &::SireMM::CLJWorkspace::what ); CLJWorkspace_exposer.def( "what" , what_function_value , "" ); } CLJWorkspace_exposer.staticmethod( "typeName" ); CLJWorkspace_exposer.def( "__copy__", &__copy__); CLJWorkspace_exposer.def( "__deepcopy__", &__copy__); CLJWorkspace_exposer.def( "clone", &__copy__); CLJWorkspace_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJWorkspace >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJWorkspace_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJWorkspace >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJWorkspace_exposer.def( "__str__", &__str__< ::SireMM::CLJWorkspace > ); CLJWorkspace_exposer.def( "__repr__", &__str__< ::SireMM::CLJWorkspace > ); CLJWorkspace_exposer.def( "__len__", &__len_size< ::SireMM::CLJWorkspace > ); CLJWorkspace_exposer.def( "__getitem__", &::SireMM::CLJWorkspace::getitem ); } }
void register_FEP_class(){ { //::SireAnalysis::FEP typedef bp::class_< SireAnalysis::FEP, bp::bases< SireBase::Property > > FEP_exposer_t; FEP_exposer_t FEP_exposer = FEP_exposer_t( "FEP", "This class is used to analyse the free energies that are\ncalculated during a free energy perturbation (FEP) simulation\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") ); bp::scope FEP_scope( FEP_exposer ); FEP_exposer.def( bp::init< QList< double > const &, QMap< double, SireMaths::FreeEnergyAverage > const & >(( bp::arg("windows"), bp::arg("deltas") ), "Construct to use the passed set of windows, with the free energy deltas from\neach window to the window above") ); FEP_exposer.def( bp::init< QList< double > const &, QMap< double, SireMaths::FreeEnergyAverage > const &, QMap< double, SireMaths::FreeEnergyAverage > const & >(( bp::arg("windows"), bp::arg("forwards_deltas"), bp::arg("backwards_deltas") ), "Construct to use the passed windows, with the free energy deltas from\neach window to the window above in forwards_deltas and from the window\nbelow to each window in backwards_deltas") ); FEP_exposer.def( bp::init< SireAnalysis::FEPDeltas const & >(( bp::arg("deltas") ), "Construct to use the passed FEP deltas") ); FEP_exposer.def( bp::init< SireAnalysis::FEP const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireAnalysis::FEP::add typedef void ( ::SireAnalysis::FEP::*add_function_type)( ::QList< double > const &,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; add_function_type add_function_value( &::SireAnalysis::FEP::add ); FEP_exposer.def( "add" , add_function_value , ( bp::arg("windows"), bp::arg("deltas") ) , "Add the data for the next iteration, which contains the deltas for the passed windows,\nwith the free energy being for each window to the next window" ); } { //::SireAnalysis::FEP::add typedef void ( ::SireAnalysis::FEP::*add_function_type)( ::QList< double > const &,::QMap< double, SireMaths::FreeEnergyAverage > const &,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; add_function_type add_function_value( &::SireAnalysis::FEP::add ); FEP_exposer.def( "add" , add_function_value , ( bp::arg("windows"), bp::arg("forwards_deltas"), bp::arg("backwards_deltas") ) , "Add the data for the next iteration, which contains the deltas for the passed windows,\nwith forwards_deltas containing the free energy from each window to the next window,\nand backwards_deltas containing the free energy from the previous window to each window" ); } { //::SireAnalysis::FEP::add typedef void ( ::SireAnalysis::FEP::*add_function_type)( ::SireAnalysis::FEPDeltas const & ) ; add_function_type add_function_value( &::SireAnalysis::FEP::add ); FEP_exposer.def( "add" , add_function_value , ( bp::arg("deltas") ) , "Add the data for the next iteration" ); } { //::SireAnalysis::FEP::at typedef ::SireAnalysis::FEPDeltas ( ::SireAnalysis::FEP::*at_function_type)( int ) const; at_function_type at_function_value( &::SireAnalysis::FEP::at ); FEP_exposer.def( "at" , at_function_value , ( bp::arg("i") ) , "Return the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::clear typedef void ( ::SireAnalysis::FEP::*clear_function_type)( ) ; clear_function_type clear_function_value( &::SireAnalysis::FEP::clear ); FEP_exposer.def( "clear" , clear_function_value , "Remove all values from the histogram" ); } { //::SireAnalysis::FEP::count typedef int ( ::SireAnalysis::FEP::*count_function_type)( ) const; count_function_type count_function_value( &::SireAnalysis::FEP::count ); FEP_exposer.def( "count" , count_function_value , "Return the number of iterations" ); } { //::SireAnalysis::FEP::deltas typedef ::QList< SireAnalysis::FEPDeltas > ( ::SireAnalysis::FEP::*deltas_function_type)( ) const; deltas_function_type deltas_function_value( &::SireAnalysis::FEP::deltas ); FEP_exposer.def( "deltas" , deltas_function_value , "Return the deltas for all iterations" ); } { //::SireAnalysis::FEP::lambdaValues typedef ::QList< double > ( ::SireAnalysis::FEP::*lambdaValues_function_type)( ) const; lambdaValues_function_type lambdaValues_function_value( &::SireAnalysis::FEP::lambdaValues ); FEP_exposer.def( "lambdaValues" , lambdaValues_function_value , "Return the values of all windows" ); } { //::SireAnalysis::FEP::merge typedef ::SireAnalysis::FEPDeltas ( ::SireAnalysis::FEP::*merge_function_type)( int,int ) const; merge_function_type merge_function_value( &::SireAnalysis::FEP::merge ); FEP_exposer.def( "merge" , merge_function_value , ( bp::arg("start"), bp::arg("end") ) , "Merge the deltas for iterations start->end" ); } { //::SireAnalysis::FEP::merge typedef ::SireAnalysis::FEPDeltas ( ::SireAnalysis::FEP::*merge_function_type)( ::QList< int > ) const; merge_function_type merge_function_value( &::SireAnalysis::FEP::merge ); FEP_exposer.def( "merge" , merge_function_value , ( bp::arg("indicies") ) , "Merge the deltas at the passed indicies" ); } { //::SireAnalysis::FEP::nIterations typedef int ( ::SireAnalysis::FEP::*nIterations_function_type)( ) const; nIterations_function_type nIterations_function_value( &::SireAnalysis::FEP::nIterations ); FEP_exposer.def( "nIterations" , nIterations_function_value , "Return the number of iterations" ); } { //::SireAnalysis::FEP::nLambdaValues typedef int ( ::SireAnalysis::FEP::*nLambdaValues_function_type)( ) const; nLambdaValues_function_type nLambdaValues_function_value( &::SireAnalysis::FEP::nLambdaValues ); FEP_exposer.def( "nLambdaValues" , nLambdaValues_function_value , "Return the number of lambda values (windows)" ); } { //::SireAnalysis::FEP::nSamples typedef ::qint64 ( ::SireAnalysis::FEP::*nSamples_function_type)( ) const; nSamples_function_type nSamples_function_value( &::SireAnalysis::FEP::nSamples ); FEP_exposer.def( "nSamples" , nSamples_function_value , "Return the total number of samples in the simulation" ); } { //::SireAnalysis::FEP::nWindows typedef int ( ::SireAnalysis::FEP::*nWindows_function_type)( ) const; nWindows_function_type nWindows_function_value( &::SireAnalysis::FEP::nWindows ); FEP_exposer.def( "nWindows" , nWindows_function_value , "Return the number of windows" ); } FEP_exposer.def( bp::self != bp::self ); { //::SireAnalysis::FEP::operator= typedef ::SireAnalysis::FEP & ( ::SireAnalysis::FEP::*assign_function_type)( ::SireAnalysis::FEP const & ) ; assign_function_type assign_function_value( &::SireAnalysis::FEP::operator= ); FEP_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } FEP_exposer.def( bp::self == bp::self ); { //::SireAnalysis::FEP::operator[] typedef ::SireAnalysis::FEPDeltas ( ::SireAnalysis::FEP::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireAnalysis::FEP::operator[] ); FEP_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , "" ); } { //::SireAnalysis::FEP::removeAt typedef void ( ::SireAnalysis::FEP::*removeAt_function_type)( int ) ; removeAt_function_type removeAt_function_value( &::SireAnalysis::FEP::removeAt ); FEP_exposer.def( "removeAt" , removeAt_function_value , ( bp::arg("i") ) , "Remove the data for iteration i" ); } { //::SireAnalysis::FEP::removeRange typedef void ( ::SireAnalysis::FEP::*removeRange_function_type)( int,int ) ; removeRange_function_type removeRange_function_value( &::SireAnalysis::FEP::removeRange ); FEP_exposer.def( "removeRange" , removeRange_function_value , ( bp::arg("start"), bp::arg("end") ) , "Remove every iteration from start to end (inclusively)" ); } { //::SireAnalysis::FEP::rollingAverage typedef ::QList< SireAnalysis::FEPDeltas > ( ::SireAnalysis::FEP::*rollingAverage_function_type)( int ) const; rollingAverage_function_type rollingAverage_function_value( &::SireAnalysis::FEP::rollingAverage ); FEP_exposer.def( "rollingAverage" , rollingAverage_function_value , ( bp::arg("niterations") ) , "Return a list of Gradients that represents the rolling average over niterations\niterations over this TI data set. If this data set contains 100 iterations, and\nwe calculate the rolling average over 50 iterations, then the returned Gradients\nwill be the average from 1-50, then 2-51, 3-52.....51-100" ); } { //::SireAnalysis::FEP::set typedef void ( ::SireAnalysis::FEP::*set_function_type)( int,::QList< double > const &,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; set_function_type set_function_value( &::SireAnalysis::FEP::set ); FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("windows"), bp::arg("deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::set typedef void ( ::SireAnalysis::FEP::*set_function_type)( int,::QList< double > const &,::QMap< double, SireMaths::FreeEnergyAverage > const &,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; set_function_type set_function_value( &::SireAnalysis::FEP::set ); FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("windows"), bp::arg("forwards_deltas"), bp::arg("backwards_deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::set typedef void ( ::SireAnalysis::FEP::*set_function_type)( int,::SireAnalysis::FEPDeltas const & ) ; set_function_type set_function_value( &::SireAnalysis::FEP::set ); FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::size typedef int ( ::SireAnalysis::FEP::*size_function_type)( ) const; size_function_type size_function_value( &::SireAnalysis::FEP::size ); FEP_exposer.def( "size" , size_function_value , "Return the number of iterations" ); } { //::SireAnalysis::FEP::toString typedef ::QString ( ::SireAnalysis::FEP::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireAnalysis::FEP::toString ); FEP_exposer.def( "toString" , toString_function_value , "" ); } { //::SireAnalysis::FEP::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::FEP::typeName ); FEP_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireAnalysis::FEP::what typedef char const * ( ::SireAnalysis::FEP::*what_function_type)( ) const; what_function_type what_function_value( &::SireAnalysis::FEP::what ); FEP_exposer.def( "what" , what_function_value , "" ); } { //::SireAnalysis::FEP::windows typedef ::QList< double > ( ::SireAnalysis::FEP::*windows_function_type)( ) const; windows_function_type windows_function_value( &::SireAnalysis::FEP::windows ); FEP_exposer.def( "windows" , windows_function_value , "Return the value of all windows" ); } FEP_exposer.staticmethod( "typeName" ); FEP_exposer.def( "__copy__", &__copy__); FEP_exposer.def( "__deepcopy__", &__copy__); FEP_exposer.def( "clone", &__copy__); FEP_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireAnalysis::FEP >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FEP_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireAnalysis::FEP >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FEP_exposer.def( "__str__", &__str__< ::SireAnalysis::FEP > ); FEP_exposer.def( "__repr__", &__str__< ::SireAnalysis::FEP > ); FEP_exposer.def( "__len__", &__len_size< ::SireAnalysis::FEP > ); } }
void register_ChunkedVector_double__class(){ { //::SireBase::ChunkedVector< double, 100 > typedef bp::class_< SireBase::ChunkedVector< double, 100 > > ChunkedVector_double__exposer_t; ChunkedVector_double__exposer_t ChunkedVector_double__exposer = ChunkedVector_double__exposer_t( "ChunkedVector_double_", bp::init< >() ); bp::scope ChunkedVector_double__scope( ChunkedVector_double__exposer ); { //::SireBase::ChunkedVector< double, 100 >::const_iterator typedef bp::class_< SireBase::ChunkedVector< double, 100 >::const_iterator > const_iterator_exposer_t; const_iterator_exposer_t const_iterator_exposer = const_iterator_exposer_t( "const_iterator", bp::init< >() ); bp::scope const_iterator_scope( const_iterator_exposer ); const_iterator_exposer.def( bp::init< SireBase::ChunkedVector< double, 100 >::const_iterator const & >(( bp::arg("other") )) ); const_iterator_exposer.def( bp::self != bp::self ); { //::SireBase::ChunkedVector< double, 100 >::const_iterator::operator= typedef ::SireBase::ChunkedVector< double, 100 >::const_iterator & ( ::SireBase::ChunkedVector< double, 100 >::const_iterator::*assign_function_type )( ::SireBase::ChunkedVector< double, 100 >::const_iterator const & ) ; assign_function_type assign_function_value( &::SireBase::ChunkedVector< double, 100 >::const_iterator::operator= ); const_iterator_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } const_iterator_exposer.def( bp::self == bp::self ); } { //::SireBase::ChunkedVector< double, 100 >::iterator typedef bp::class_< SireBase::ChunkedVector< double, 100 >::iterator > iterator_exposer_t; iterator_exposer_t iterator_exposer = iterator_exposer_t( "iterator", bp::init< >() ); bp::scope iterator_scope( iterator_exposer ); iterator_exposer.def( bp::init< SireBase::ChunkedVector< double, 100 >::iterator const & >(( bp::arg("other") )) ); iterator_exposer.def( bp::self != bp::self ); { //::SireBase::ChunkedVector< double, 100 >::iterator::operator= typedef ::SireBase::ChunkedVector< double, 100 >::iterator & ( ::SireBase::ChunkedVector< double, 100 >::iterator::*assign_function_type )( ::SireBase::ChunkedVector< double, 100 >::iterator const & ) ; assign_function_type assign_function_value( &::SireBase::ChunkedVector< double, 100 >::iterator::operator= ); iterator_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } iterator_exposer.def( bp::self == bp::self ); } ChunkedVector_double__exposer.def( bp::init< int >(( bp::arg("size") )) ); ChunkedVector_double__exposer.def( bp::init< int, double const & >(( bp::arg("size"), bp::arg("value") )) ); ChunkedVector_double__exposer.def( bp::init< SireBase::ChunkedVector< double, 100 > const & >(( bp::arg("other") )) ); { //::SireBase::ChunkedVector< double, 100 >::append typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*append_function_type )( double const & ) ; append_function_type append_function_value( &::SireBase::ChunkedVector< double, 100 >::append ); ChunkedVector_double__exposer.def( "append" , append_function_value , ( bp::arg("value") ) ); } { //::SireBase::ChunkedVector< double, 100 >::at typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef double const & ( ::SireBase::ChunkedVector< double, 100 >::*at_function_type )( int ) const; at_function_type at_function_value( &::SireBase::ChunkedVector< double, 100 >::at ); ChunkedVector_double__exposer.def( "at" , at_function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireBase::ChunkedVector< double, 100 >::begin typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::iterator ( ::SireBase::ChunkedVector< double, 100 >::*begin_function_type )( ) ; begin_function_type begin_function_value( &::SireBase::ChunkedVector< double, 100 >::begin ); ChunkedVector_double__exposer.def( "begin" , begin_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::begin typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::const_iterator ( ::SireBase::ChunkedVector< double, 100 >::*begin_function_type )( ) const; begin_function_type begin_function_value( &::SireBase::ChunkedVector< double, 100 >::begin ); ChunkedVector_double__exposer.def( "begin" , begin_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::capacity typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef int ( ::SireBase::ChunkedVector< double, 100 >::*capacity_function_type )( ) const; capacity_function_type capacity_function_value( &::SireBase::ChunkedVector< double, 100 >::capacity ); ChunkedVector_double__exposer.def( "capacity" , capacity_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::clear typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*clear_function_type )( ) ; clear_function_type clear_function_value( &::SireBase::ChunkedVector< double, 100 >::clear ); ChunkedVector_double__exposer.def( "clear" , clear_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::constBegin typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::const_iterator ( ::SireBase::ChunkedVector< double, 100 >::*constBegin_function_type )( ) const; constBegin_function_type constBegin_function_value( &::SireBase::ChunkedVector< double, 100 >::constBegin ); ChunkedVector_double__exposer.def( "constBegin" , constBegin_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::constEnd typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::const_iterator ( ::SireBase::ChunkedVector< double, 100 >::*constEnd_function_type )( ) const; constEnd_function_type constEnd_function_value( &::SireBase::ChunkedVector< double, 100 >::constEnd ); ChunkedVector_double__exposer.def( "constEnd" , constEnd_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::count typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef int ( ::SireBase::ChunkedVector< double, 100 >::*count_function_type )( ) const; count_function_type count_function_value( &::SireBase::ChunkedVector< double, 100 >::count ); ChunkedVector_double__exposer.def( "count" , count_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::count typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef int ( ::SireBase::ChunkedVector< double, 100 >::*count_function_type )( double const & ) const; count_function_type count_function_value( &::SireBase::ChunkedVector< double, 100 >::count ); ChunkedVector_double__exposer.def( "count" , count_function_value , ( bp::arg("value") ) ); } { //::SireBase::ChunkedVector< double, 100 >::end typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::iterator ( ::SireBase::ChunkedVector< double, 100 >::*end_function_type )( ) ; end_function_type end_function_value( &::SireBase::ChunkedVector< double, 100 >::end ); ChunkedVector_double__exposer.def( "end" , end_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::end typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 >::const_iterator ( ::SireBase::ChunkedVector< double, 100 >::*end_function_type )( ) const; end_function_type end_function_value( &::SireBase::ChunkedVector< double, 100 >::end ); ChunkedVector_double__exposer.def( "end" , end_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::fromList typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 > ( *fromList_function_type )( ::QList< double > const & ); fromList_function_type fromList_function_value( &::SireBase::ChunkedVector< double, 100 >::fromList ); ChunkedVector_double__exposer.def( "fromList" , fromList_function_value , ( bp::arg("list") ) ); } { //::SireBase::ChunkedVector< double, 100 >::fromStdVector typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 > ( *fromStdVector_function_type )( ::std::vector< double > const & ); fromStdVector_function_type fromStdVector_function_value( &::SireBase::ChunkedVector< double, 100 >::fromStdVector ); ChunkedVector_double__exposer.def( "fromStdVector" , fromStdVector_function_value , ( bp::arg("vector") ) ); } { //::SireBase::ChunkedVector< double, 100 >::fromVector typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 > ( *fromVector_function_type )( ::QVector< double > const & ); fromVector_function_type fromVector_function_value( &::SireBase::ChunkedVector< double, 100 >::fromVector ); ChunkedVector_double__exposer.def( "fromVector" , fromVector_function_value , ( bp::arg("vector") ) ); } { //::SireBase::ChunkedVector< double, 100 >::isEmpty typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef bool ( ::SireBase::ChunkedVector< double, 100 >::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireBase::ChunkedVector< double, 100 >::isEmpty ); ChunkedVector_double__exposer.def( "isEmpty" , isEmpty_function_value ); } ChunkedVector_double__exposer.def( bp::self != bp::self ); { //::SireBase::ChunkedVector< double, 100 >::operator= typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::SireBase::ChunkedVector< double, 100 > & ( ::SireBase::ChunkedVector< double, 100 >::*assign_function_type )( ::SireBase::ChunkedVector< double, 100 > const & ) ; assign_function_type assign_function_value( &::SireBase::ChunkedVector< double, 100 >::operator= ); ChunkedVector_double__exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } ChunkedVector_double__exposer.def( bp::self == bp::self ); { //::SireBase::ChunkedVector< double, 100 >::operator[] typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef double & ( ::SireBase::ChunkedVector< double, 100 >::*__getitem___function_type )( int ) ; __getitem___function_type __getitem___function_value( &::SireBase::ChunkedVector< double, 100 >::operator[] ); ChunkedVector_double__exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_non_const_reference >() ); } { //::SireBase::ChunkedVector< double, 100 >::operator[] typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef double const & ( ::SireBase::ChunkedVector< double, 100 >::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireBase::ChunkedVector< double, 100 >::operator[] ); ChunkedVector_double__exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireBase::ChunkedVector< double, 100 >::remove typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*remove_function_type )( int ) ; remove_function_type remove_function_value( &::SireBase::ChunkedVector< double, 100 >::remove ); ChunkedVector_double__exposer.def( "remove" , remove_function_value , ( bp::arg("i") ) ); } { //::SireBase::ChunkedVector< double, 100 >::remove typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*remove_function_type )( int,int ) ; remove_function_type remove_function_value( &::SireBase::ChunkedVector< double, 100 >::remove ); ChunkedVector_double__exposer.def( "remove" , remove_function_value , ( bp::arg("i"), bp::arg("count") ) ); } { //::SireBase::ChunkedVector< double, 100 >::reserve typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*reserve_function_type )( int ) ; reserve_function_type reserve_function_value( &::SireBase::ChunkedVector< double, 100 >::reserve ); ChunkedVector_double__exposer.def( "reserve" , reserve_function_value , ( bp::arg("count") ) ); } { //::SireBase::ChunkedVector< double, 100 >::resize typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*resize_function_type )( int ) ; resize_function_type resize_function_value( &::SireBase::ChunkedVector< double, 100 >::resize ); ChunkedVector_double__exposer.def( "resize" , resize_function_value , ( bp::arg("count") ) ); } { //::SireBase::ChunkedVector< double, 100 >::size typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef int ( ::SireBase::ChunkedVector< double, 100 >::*size_function_type )( ) const; size_function_type size_function_value( &::SireBase::ChunkedVector< double, 100 >::size ); ChunkedVector_double__exposer.def( "size" , size_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::squeeze typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef void ( ::SireBase::ChunkedVector< double, 100 >::*squeeze_function_type )( ) ; squeeze_function_type squeeze_function_value( &::SireBase::ChunkedVector< double, 100 >::squeeze ); ChunkedVector_double__exposer.def( "squeeze" , squeeze_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::toList typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::QList< double > ( ::SireBase::ChunkedVector< double, 100 >::*toList_function_type )( ) const; toList_function_type toList_function_value( &::SireBase::ChunkedVector< double, 100 >::toList ); ChunkedVector_double__exposer.def( "toList" , toList_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::toStdVector typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::std::vector< double > ( ::SireBase::ChunkedVector< double, 100 >::*toStdVector_function_type )( ) const; toStdVector_function_type toStdVector_function_value( &::SireBase::ChunkedVector< double, 100 >::toStdVector ); ChunkedVector_double__exposer.def( "toStdVector" , toStdVector_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::toVector typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef ::QVector< double > ( ::SireBase::ChunkedVector< double, 100 >::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireBase::ChunkedVector< double, 100 >::toVector ); ChunkedVector_double__exposer.def( "toVector" , toVector_function_value ); } { //::SireBase::ChunkedVector< double, 100 >::value typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef double ( ::SireBase::ChunkedVector< double, 100 >::*value_function_type )( int ) const; value_function_type value_function_value( &::SireBase::ChunkedVector< double, 100 >::value ); ChunkedVector_double__exposer.def( "value" , value_function_value , ( bp::arg("i") ) ); } { //::SireBase::ChunkedVector< double, 100 >::value typedef SireBase::ChunkedVector< double, 100 > exported_class_t; typedef double ( ::SireBase::ChunkedVector< double, 100 >::*value_function_type )( int,double const & ) const; value_function_type value_function_value( &::SireBase::ChunkedVector< double, 100 >::value ); ChunkedVector_double__exposer.def( "value" , value_function_value , ( bp::arg("i"), bp::arg("default_value") ) ); } ChunkedVector_double__exposer.staticmethod( "fromList" ); ChunkedVector_double__exposer.staticmethod( "fromStdVector" ); ChunkedVector_double__exposer.staticmethod( "fromVector" ); ChunkedVector_double__exposer.def( "__copy__", &__copy__); ChunkedVector_double__exposer.def( "__deepcopy__", &__copy__); ChunkedVector_double__exposer.def( "clone", &__copy__); ChunkedVector_double__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireBase::ChunkedVector<double, 100> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChunkedVector_double__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireBase::ChunkedVector<double, 100> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ChunkedVector_double__exposer.def( "__str__", &pvt_get_name); ChunkedVector_double__exposer.def( "__repr__", &pvt_get_name); ChunkedVector_double__exposer.def( "__len__", &__len_size< ::SireBase::ChunkedVector<double, 100> > ); } }
void register_PropertyList_class(){ { //::SireBase::PropertyList typedef bp::class_< SireBase::PropertyList, bp::bases< SireBase::Property > > PropertyList_exposer_t; PropertyList_exposer_t PropertyList_exposer = PropertyList_exposer_t( "PropertyList", bp::init< >() ); bp::scope PropertyList_scope( PropertyList_exposer ); PropertyList_exposer.def( bp::init< QList< SireBase::PropPtr< SireBase::Property > > const & >(( bp::arg("props") )) ); PropertyList_exposer.def( bp::init< SireBase::PropertyList const & >(( bp::arg("other") )) ); { //::SireBase::PropertyList::append typedef void ( ::SireBase::PropertyList::*append_function_type )( ::SireBase::Property const & ) ; append_function_type append_function_value( &::SireBase::PropertyList::append ); PropertyList_exposer.def( "append" , append_function_value , ( bp::arg("property") ) ); } { //::SireBase::PropertyList::append typedef void ( ::SireBase::PropertyList::*append_function_type )( ::QList< SireBase::PropPtr< SireBase::Property > > const & ) ; append_function_type append_function_value( &::SireBase::PropertyList::append ); PropertyList_exposer.def( "append" , append_function_value , ( bp::arg("props") ) ); } { //::SireBase::PropertyList::array typedef ::QList< SireBase::PropPtr< SireBase::Property > > ( ::SireBase::PropertyList::*array_function_type )( ) const; array_function_type array_function_value( &::SireBase::PropertyList::array ); PropertyList_exposer.def( "array" , array_function_value ); } { //::SireBase::PropertyList::at typedef ::SireBase::Property const & ( ::SireBase::PropertyList::*at_function_type )( int ) const; at_function_type at_function_value( &::SireBase::PropertyList::at ); PropertyList_exposer.def( "at" , at_function_value , ( bp::arg("i") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireBase::PropertyList::clear typedef void ( ::SireBase::PropertyList::*clear_function_type )( ) ; clear_function_type clear_function_value( &::SireBase::PropertyList::clear ); PropertyList_exposer.def( "clear" , clear_function_value ); } { //::SireBase::PropertyList::count typedef int ( ::SireBase::PropertyList::*count_function_type )( ) const; count_function_type count_function_value( &::SireBase::PropertyList::count ); PropertyList_exposer.def( "count" , count_function_value ); } { //::SireBase::PropertyList::empty typedef bool ( ::SireBase::PropertyList::*empty_function_type )( ) const; empty_function_type empty_function_value( &::SireBase::PropertyList::empty ); PropertyList_exposer.def( "empty" , empty_function_value ); } { //::SireBase::PropertyList::insert typedef void ( ::SireBase::PropertyList::*insert_function_type )( int,::SireBase::Property const & ) ; insert_function_type insert_function_value( &::SireBase::PropertyList::insert ); PropertyList_exposer.def( "insert" , insert_function_value , ( bp::arg("i"), bp::arg("value") ) ); } { //::SireBase::PropertyList::isEmpty typedef bool ( ::SireBase::PropertyList::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireBase::PropertyList::isEmpty ); PropertyList_exposer.def( "isEmpty" , isEmpty_function_value ); } { //::SireBase::PropertyList::mid typedef ::SireBase::PropertyList ( ::SireBase::PropertyList::*mid_function_type )( int,int ) const; mid_function_type mid_function_value( &::SireBase::PropertyList::mid ); PropertyList_exposer.def( "mid" , mid_function_value , ( bp::arg("pos"), bp::arg("length")=(int)(-0x00000000000000001) ) ); } { //::SireBase::PropertyList::move typedef void ( ::SireBase::PropertyList::*move_function_type )( int,int ) ; move_function_type move_function_value( &::SireBase::PropertyList::move ); PropertyList_exposer.def( "move" , move_function_value , ( bp::arg("from"), bp::arg("to") ) ); } PropertyList_exposer.def( bp::self != bp::self ); PropertyList_exposer.def( bp::self + bp::self ); { //::SireBase::PropertyList::operator= typedef ::SireBase::PropertyList & ( ::SireBase::PropertyList::*assign_function_type )( ::SireBase::PropertyList const & ) ; assign_function_type assign_function_value( &::SireBase::PropertyList::operator= ); PropertyList_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } PropertyList_exposer.def( bp::self == bp::self ); { //::SireBase::PropertyList::operator[] typedef ::SireBase::Property const & ( ::SireBase::PropertyList::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireBase::PropertyList::operator[] ); PropertyList_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireBase::PropertyList::pop_back typedef void ( ::SireBase::PropertyList::*pop_back_function_type )( ) ; pop_back_function_type pop_back_function_value( &::SireBase::PropertyList::pop_back ); PropertyList_exposer.def( "pop_back" , pop_back_function_value ); } { //::SireBase::PropertyList::pop_front typedef void ( ::SireBase::PropertyList::*pop_front_function_type )( ) ; pop_front_function_type pop_front_function_value( &::SireBase::PropertyList::pop_front ); PropertyList_exposer.def( "pop_front" , pop_front_function_value ); } { //::SireBase::PropertyList::prepend typedef void ( ::SireBase::PropertyList::*prepend_function_type )( ::SireBase::Property const & ) ; prepend_function_type prepend_function_value( &::SireBase::PropertyList::prepend ); PropertyList_exposer.def( "prepend" , prepend_function_value , ( bp::arg("value") ) ); } { //::SireBase::PropertyList::push_back typedef void ( ::SireBase::PropertyList::*push_back_function_type )( ::SireBase::Property const & ) ; push_back_function_type push_back_function_value( &::SireBase::PropertyList::push_back ); PropertyList_exposer.def( "push_back" , push_back_function_value , ( bp::arg("value") ) ); } { //::SireBase::PropertyList::push_front typedef void ( ::SireBase::PropertyList::*push_front_function_type )( ::SireBase::Property const & ) ; push_front_function_type push_front_function_value( &::SireBase::PropertyList::push_front ); PropertyList_exposer.def( "push_front" , push_front_function_value , ( bp::arg("value") ) ); } { //::SireBase::PropertyList::removeAt typedef void ( ::SireBase::PropertyList::*removeAt_function_type )( int ) ; removeAt_function_type removeAt_function_value( &::SireBase::PropertyList::removeAt ); PropertyList_exposer.def( "removeAt" , removeAt_function_value , ( bp::arg("i") ) ); } { //::SireBase::PropertyList::removeFirst typedef void ( ::SireBase::PropertyList::*removeFirst_function_type )( ) ; removeFirst_function_type removeFirst_function_value( &::SireBase::PropertyList::removeFirst ); PropertyList_exposer.def( "removeFirst" , removeFirst_function_value ); } { //::SireBase::PropertyList::removeLast typedef void ( ::SireBase::PropertyList::*removeLast_function_type )( ) ; removeLast_function_type removeLast_function_value( &::SireBase::PropertyList::removeLast ); PropertyList_exposer.def( "removeLast" , removeLast_function_value ); } { //::SireBase::PropertyList::replace typedef void ( ::SireBase::PropertyList::*replace_function_type )( int,::SireBase::Property const & ) ; replace_function_type replace_function_value( &::SireBase::PropertyList::replace ); PropertyList_exposer.def( "replace" , replace_function_value , ( bp::arg("i"), bp::arg("value") ) ); } { //::SireBase::PropertyList::size typedef int ( ::SireBase::PropertyList::*size_function_type )( ) const; size_function_type size_function_value( &::SireBase::PropertyList::size ); PropertyList_exposer.def( "size" , size_function_value ); } { //::SireBase::PropertyList::swap typedef void ( ::SireBase::PropertyList::*swap_function_type )( ::SireBase::PropertyList & ) ; swap_function_type swap_function_value( &::SireBase::PropertyList::swap ); PropertyList_exposer.def( "swap" , swap_function_value , ( bp::arg("other") ) ); } { //::SireBase::PropertyList::swap typedef void ( ::SireBase::PropertyList::*swap_function_type )( int,int ) ; swap_function_type swap_function_value( &::SireBase::PropertyList::swap ); PropertyList_exposer.def( "swap" , swap_function_value , ( bp::arg("i"), bp::arg("j") ) ); } { //::SireBase::PropertyList::takeAt typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*takeAt_function_type )( int ) ; takeAt_function_type takeAt_function_value( &::SireBase::PropertyList::takeAt ); PropertyList_exposer.def( "takeAt" , takeAt_function_value , ( bp::arg("i") ) ); } { //::SireBase::PropertyList::takeFirst typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*takeFirst_function_type )( ) ; takeFirst_function_type takeFirst_function_value( &::SireBase::PropertyList::takeFirst ); PropertyList_exposer.def( "takeFirst" , takeFirst_function_value ); } { //::SireBase::PropertyList::takeLast typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*takeLast_function_type )( ) ; takeLast_function_type takeLast_function_value( &::SireBase::PropertyList::takeLast ); PropertyList_exposer.def( "takeLast" , takeLast_function_value ); } { //::SireBase::PropertyList::toList typedef ::QList< SireBase::PropPtr< SireBase::Property > > ( ::SireBase::PropertyList::*toList_function_type )( ) const; toList_function_type toList_function_value( &::SireBase::PropertyList::toList ); PropertyList_exposer.def( "toList" , toList_function_value ); } { //::SireBase::PropertyList::toString typedef ::QString ( ::SireBase::PropertyList::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireBase::PropertyList::toString ); PropertyList_exposer.def( "toString" , toString_function_value ); } { //::SireBase::PropertyList::toVector typedef ::QVector< SireBase::PropPtr< SireBase::Property > > ( ::SireBase::PropertyList::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireBase::PropertyList::toVector ); PropertyList_exposer.def( "toVector" , toVector_function_value ); } { //::SireBase::PropertyList::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireBase::PropertyList::typeName ); PropertyList_exposer.def( "typeName" , typeName_function_value ); } { //::SireBase::PropertyList::value typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*value_function_type )( int ) const; value_function_type value_function_value( &::SireBase::PropertyList::value ); PropertyList_exposer.def( "value" , value_function_value , ( bp::arg("i") ) ); } { //::SireBase::PropertyList::value typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*value_function_type )( int,::SireBase::Property const & ) const; value_function_type value_function_value( &::SireBase::PropertyList::value ); PropertyList_exposer.def( "value" , value_function_value , ( bp::arg("i"), bp::arg("default_value") ) ); } PropertyList_exposer.staticmethod( "typeName" ); PropertyList_exposer.def( "__copy__", &__copy__); PropertyList_exposer.def( "__deepcopy__", &__copy__); PropertyList_exposer.def( "clone", &__copy__); PropertyList_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireBase::PropertyList >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PropertyList_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireBase::PropertyList >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PropertyList_exposer.def( "__str__", &__str__< ::SireBase::PropertyList > ); PropertyList_exposer.def( "__repr__", &__str__< ::SireBase::PropertyList > ); PropertyList_exposer.def( "__len__", &__len_size< ::SireBase::PropertyList > ); } }
void register_TI_class(){ { //::SireAnalysis::TI typedef bp::class_< SireAnalysis::TI, bp::bases< SireBase::Property > > TI_exposer_t; TI_exposer_t TI_exposer = TI_exposer_t( "TI", bp::init< >() ); bp::scope TI_scope( TI_exposer ); TI_exposer.def( bp::init< SireAnalysis::Gradients const & >(( bp::arg("gradients") )) ); TI_exposer.def( bp::init< QList< SireAnalysis::Gradients > const & >(( bp::arg("gradients") )) ); TI_exposer.def( bp::init< SireAnalysis::TI const & >(( bp::arg("other") )) ); { //::SireAnalysis::TI::add typedef void ( ::SireAnalysis::TI::*add_function_type )( ::QMap< double, SireMaths::AverageAndStddev > const & ) ; add_function_type add_function_value( &::SireAnalysis::TI::add ); TI_exposer.def( "add" , add_function_value , ( bp::arg("gradients") ) ); } { //::SireAnalysis::TI::add typedef void ( ::SireAnalysis::TI::*add_function_type )( ::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; add_function_type add_function_value( &::SireAnalysis::TI::add ); TI_exposer.def( "add" , add_function_value , ( bp::arg("gradients") ) ); } { //::SireAnalysis::TI::add typedef void ( ::SireAnalysis::TI::*add_function_type )( ::QMap< double, SireMaths::FreeEnergyAverage > const &,double ) ; add_function_type add_function_value( &::SireAnalysis::TI::add ); TI_exposer.def( "add" , add_function_value , ( bp::arg("gradients"), bp::arg("delta_lambda") ) ); } { //::SireAnalysis::TI::add typedef void ( ::SireAnalysis::TI::*add_function_type )( ::QMap< double, SireMaths::FreeEnergyAverage > const &,::QMap< double, SireMaths::FreeEnergyAverage > const &,double ) ; add_function_type add_function_value( &::SireAnalysis::TI::add ); TI_exposer.def( "add" , add_function_value , ( bp::arg("forwards"), bp::arg("backwards"), bp::arg("delta_lambda") ) ); } { //::SireAnalysis::TI::add typedef void ( ::SireAnalysis::TI::*add_function_type )( ::SireAnalysis::Gradients const & ) ; add_function_type add_function_value( &::SireAnalysis::TI::add ); TI_exposer.def( "add" , add_function_value , ( bp::arg("gradients") ) ); } { //::SireAnalysis::TI::at typedef ::SireAnalysis::Gradients ( ::SireAnalysis::TI::*at_function_type )( int ) const; at_function_type at_function_value( &::SireAnalysis::TI::at ); TI_exposer.def( "at" , at_function_value , ( bp::arg("i") ) ); } { //::SireAnalysis::TI::clear typedef void ( ::SireAnalysis::TI::*clear_function_type )( ) ; clear_function_type clear_function_value( &::SireAnalysis::TI::clear ); TI_exposer.def( "clear" , clear_function_value ); } { //::SireAnalysis::TI::count typedef int ( ::SireAnalysis::TI::*count_function_type )( ) const; count_function_type count_function_value( &::SireAnalysis::TI::count ); TI_exposer.def( "count" , count_function_value ); } { //::SireAnalysis::TI::gradients typedef ::QList< SireAnalysis::Gradients > ( ::SireAnalysis::TI::*gradients_function_type )( ) const; gradients_function_type gradients_function_value( &::SireAnalysis::TI::gradients ); TI_exposer.def( "gradients" , gradients_function_value ); } { //::SireAnalysis::TI::lambdaValues typedef ::QList< double > ( ::SireAnalysis::TI::*lambdaValues_function_type )( ) const; lambdaValues_function_type lambdaValues_function_value( &::SireAnalysis::TI::lambdaValues ); TI_exposer.def( "lambdaValues" , lambdaValues_function_value ); } { //::SireAnalysis::TI::merge typedef ::SireAnalysis::Gradients ( ::SireAnalysis::TI::*merge_function_type )( int,int ) const; merge_function_type merge_function_value( &::SireAnalysis::TI::merge ); TI_exposer.def( "merge" , merge_function_value , ( bp::arg("start"), bp::arg("end") ) ); } { //::SireAnalysis::TI::merge typedef ::SireAnalysis::Gradients ( ::SireAnalysis::TI::*merge_function_type )( ::QList< int > ) const; merge_function_type merge_function_value( &::SireAnalysis::TI::merge ); TI_exposer.def( "merge" , merge_function_value , ( bp::arg("indicies") ) ); } { //::SireAnalysis::TI::nIterations typedef int ( ::SireAnalysis::TI::*nIterations_function_type )( ) const; nIterations_function_type nIterations_function_value( &::SireAnalysis::TI::nIterations ); TI_exposer.def( "nIterations" , nIterations_function_value ); } { //::SireAnalysis::TI::nLambdaValues typedef int ( ::SireAnalysis::TI::*nLambdaValues_function_type )( ) const; nLambdaValues_function_type nLambdaValues_function_value( &::SireAnalysis::TI::nLambdaValues ); TI_exposer.def( "nLambdaValues" , nLambdaValues_function_value ); } { //::SireAnalysis::TI::nSamples typedef ::qint64 ( ::SireAnalysis::TI::*nSamples_function_type )( ) const; nSamples_function_type nSamples_function_value( &::SireAnalysis::TI::nSamples ); TI_exposer.def( "nSamples" , nSamples_function_value ); } TI_exposer.def( bp::self != bp::self ); { //::SireAnalysis::TI::operator= typedef ::SireAnalysis::TI & ( ::SireAnalysis::TI::*assign_function_type )( ::SireAnalysis::TI const & ) ; assign_function_type assign_function_value( &::SireAnalysis::TI::operator= ); TI_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } TI_exposer.def( bp::self == bp::self ); { //::SireAnalysis::TI::operator[] typedef ::SireAnalysis::Gradients ( ::SireAnalysis::TI::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireAnalysis::TI::operator[] ); TI_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) ); } { //::SireAnalysis::TI::removeAt typedef void ( ::SireAnalysis::TI::*removeAt_function_type )( int ) ; removeAt_function_type removeAt_function_value( &::SireAnalysis::TI::removeAt ); TI_exposer.def( "removeAt" , removeAt_function_value , ( bp::arg("i") ) ); } { //::SireAnalysis::TI::removeRange typedef void ( ::SireAnalysis::TI::*removeRange_function_type )( int,int ) ; removeRange_function_type removeRange_function_value( &::SireAnalysis::TI::removeRange ); TI_exposer.def( "removeRange" , removeRange_function_value , ( bp::arg("start"), bp::arg("end") ) ); } { //::SireAnalysis::TI::rollingAverage typedef ::QList< SireAnalysis::Gradients > ( ::SireAnalysis::TI::*rollingAverage_function_type )( int ) const; rollingAverage_function_type rollingAverage_function_value( &::SireAnalysis::TI::rollingAverage ); TI_exposer.def( "rollingAverage" , rollingAverage_function_value , ( bp::arg("niterations") ) ); } { //::SireAnalysis::TI::set typedef void ( ::SireAnalysis::TI::*set_function_type )( int,::QMap< double, SireMaths::AverageAndStddev > const & ) ; set_function_type set_function_value( &::SireAnalysis::TI::set ); TI_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("gradients") ) ); } { //::SireAnalysis::TI::set typedef void ( ::SireAnalysis::TI::*set_function_type )( int,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; set_function_type set_function_value( &::SireAnalysis::TI::set ); TI_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("gradients") ) ); } { //::SireAnalysis::TI::set typedef void ( ::SireAnalysis::TI::*set_function_type )( int,::QMap< double, SireMaths::FreeEnergyAverage > const &,double ) ; set_function_type set_function_value( &::SireAnalysis::TI::set ); TI_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("gradients"), bp::arg("delta_lambda") ) ); } { //::SireAnalysis::TI::set typedef void ( ::SireAnalysis::TI::*set_function_type )( int,::QMap< double, SireMaths::FreeEnergyAverage > const &,::QMap< double, SireMaths::FreeEnergyAverage > const &,double ) ; set_function_type set_function_value( &::SireAnalysis::TI::set ); TI_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("forwards"), bp::arg("backwards"), bp::arg("delta_lambda") ) ); } { //::SireAnalysis::TI::set typedef void ( ::SireAnalysis::TI::*set_function_type )( int,::SireAnalysis::Gradients const & ) ; set_function_type set_function_value( &::SireAnalysis::TI::set ); TI_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("gradients") ) ); } { //::SireAnalysis::TI::size typedef int ( ::SireAnalysis::TI::*size_function_type )( ) const; size_function_type size_function_value( &::SireAnalysis::TI::size ); TI_exposer.def( "size" , size_function_value ); } { //::SireAnalysis::TI::toString typedef ::QString ( ::SireAnalysis::TI::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireAnalysis::TI::toString ); TI_exposer.def( "toString" , toString_function_value ); } { //::SireAnalysis::TI::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::TI::typeName ); TI_exposer.def( "typeName" , typeName_function_value ); } { //::SireAnalysis::TI::what typedef char const * ( ::SireAnalysis::TI::*what_function_type )( ) const; what_function_type what_function_value( &::SireAnalysis::TI::what ); TI_exposer.def( "what" , what_function_value ); } TI_exposer.staticmethod( "typeName" ); TI_exposer.def( "__copy__", &__copy__); TI_exposer.def( "__deepcopy__", &__copy__); TI_exposer.def( "clone", &__copy__); TI_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireAnalysis::TI >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); TI_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireAnalysis::TI >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); TI_exposer.def( "__str__", &__str__< ::SireAnalysis::TI > ); TI_exposer.def( "__repr__", &__str__< ::SireAnalysis::TI > ); TI_exposer.def( "__len__", &__len_size< ::SireAnalysis::TI > ); } }
void register_Median_class(){ { //::SireMaths::Median typedef bp::class_< SireMaths::Median, bp::bases< SireMaths::Accumulator, SireBase::Property > > Median_exposer_t; Median_exposer_t Median_exposer = Median_exposer_t( "Median", "This class is used to calculate the maximum, minimum and median\nof a collection of values\n\nAuthor: Christopher Woods\n", bp::init< >("Construct an empty average") ); bp::scope Median_scope( Median_exposer ); Median_exposer.def( bp::init< SireMaths::Median const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMaths::Median::accumulate typedef void ( ::SireMaths::Median::*accumulate_function_type)( double ) ; accumulate_function_type accumulate_function_value( &::SireMaths::Median::accumulate ); Median_exposer.def( "accumulate" , accumulate_function_value , ( bp::arg("value") ) , "Accumulate the passed value onto the average" ); } { //::SireMaths::Median::clear typedef void ( ::SireMaths::Median::*clear_function_type)( ) ; clear_function_type clear_function_value( &::SireMaths::Median::clear ); Median_exposer.def( "clear" , clear_function_value , "Completely clear the statistics in this accumulator" ); } { //::SireMaths::Median::max typedef double ( ::SireMaths::Median::*max_function_type)( ) const; max_function_type max_function_value( &::SireMaths::Median::max ); Median_exposer.def( "max" , max_function_value , "Return the maximum value" ); } { //::SireMaths::Median::maximum typedef double ( ::SireMaths::Median::*maximum_function_type)( ) const; maximum_function_type maximum_function_value( &::SireMaths::Median::maximum ); Median_exposer.def( "maximum" , maximum_function_value , "Return the maximum value" ); } { //::SireMaths::Median::median typedef double ( ::SireMaths::Median::*median_function_type)( ) const; median_function_type median_function_value( &::SireMaths::Median::median ); Median_exposer.def( "median" , median_function_value , "Return the median value" ); } { //::SireMaths::Median::min typedef double ( ::SireMaths::Median::*min_function_type)( ) const; min_function_type min_function_value( &::SireMaths::Median::min ); Median_exposer.def( "min" , min_function_value , "Return the minimum value" ); } { //::SireMaths::Median::minimum typedef double ( ::SireMaths::Median::*minimum_function_type)( ) const; minimum_function_type minimum_function_value( &::SireMaths::Median::minimum ); Median_exposer.def( "minimum" , minimum_function_value , "Return the minimum value" ); } Median_exposer.def( bp::self != bp::self ); { //::SireMaths::Median::operator= typedef ::SireMaths::Median & ( ::SireMaths::Median::*assign_function_type)( ::SireMaths::Median const & ) ; assign_function_type assign_function_value( &::SireMaths::Median::operator= ); Median_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } Median_exposer.def( bp::self == bp::self ); { //::SireMaths::Median::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMaths::Median::typeName ); Median_exposer.def( "typeName" , typeName_function_value , "" ); } Median_exposer.staticmethod( "typeName" ); Median_exposer.def( "__copy__", &__copy__); Median_exposer.def( "__deepcopy__", &__copy__); Median_exposer.def( "clone", &__copy__); Median_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMaths::Median >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Median_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMaths::Median >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Median_exposer.def( "__str__", &__str__< ::SireMaths::Median > ); Median_exposer.def( "__repr__", &__str__< ::SireMaths::Median > ); } }