void register_ComponentGradients_class(){ { //::SireAnalysis::ComponentGradients typedef bp::class_< SireAnalysis::ComponentGradients, bp::bases< SireBase::Property > > ComponentGradients_exposer_t; ComponentGradients_exposer_t ComponentGradients_exposer = ComponentGradients_exposer_t( "ComponentGradients", "This class is used to hold the individual free energy gradients\nfor each of the components collected by the SireSystem::FreeEnergyMonitor\nclass\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") ); bp::scope ComponentGradients_scope( ComponentGradients_exposer ); ComponentGradients_exposer.def( bp::init< QMap< double, SireSystem::FreeEnergyMonitor > const &, bp::optional< bool > >(( bp::arg("gradients"), bp::arg("conserve_memory")=(bool)(true) ), "Construct from the passed map of component monitors") ); ComponentGradients_exposer.def( bp::init< QList< SireSystem::FreeEnergyMonitor > const &, bp::optional< bool > >(( bp::arg("gradients"), bp::arg("conserve_memory")=(bool)(true) ), "Construct from the passed list of component monitors") ); ComponentGradients_exposer.def( bp::init< SireAnalysis::ComponentGradients const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireAnalysis::ComponentGradients::conserveMemory typedef void ( ::SireAnalysis::ComponentGradients::*conserveMemory_function_type)( ) ; conserveMemory_function_type conserveMemory_function_value( &::SireAnalysis::ComponentGradients::conserveMemory ); ComponentGradients_exposer.def( "conserveMemory" , conserveMemory_function_value , "This function reduces the memory used by this object by ensuring that\nthe FreeEnergyMonitor at each lambda value uses the copy of the\nmolecules used at the first lambda value" ); } { //::SireAnalysis::ComponentGradients::conserveMemory typedef void ( ::SireAnalysis::ComponentGradients::*conserveMemory_function_type)( ::SireAnalysis::ComponentGradients const & ) ; conserveMemory_function_type conserveMemory_function_value( &::SireAnalysis::ComponentGradients::conserveMemory ); ComponentGradients_exposer.def( "conserveMemory" , conserveMemory_function_value , ( bp::arg("other") ) , "This function conserves memory by copying in all of the shared molecule\ndata etc. from other into this object" ); } { //::SireAnalysis::ComponentGradients::coulombGradientsAt typedef ::SireAnalysis::Gradients ( ::SireAnalysis::ComponentGradients::*coulombGradientsAt_function_type)( int ) const; coulombGradientsAt_function_type coulombGradientsAt_function_value( &::SireAnalysis::ComponentGradients::coulombGradientsAt ); ComponentGradients_exposer.def( "coulombGradientsAt" , coulombGradientsAt_function_value , ( bp::arg("i") ) , "Return the set of coulomb free energy gradients for the ith free energy component" ); } { //::SireAnalysis::ComponentGradients::coulombValues typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::ComponentGradients::*coulombValues_function_type)( int ) const; coulombValues_function_type coulombValues_function_value( &::SireAnalysis::ComponentGradients::coulombValues ); ComponentGradients_exposer.def( "coulombValues" , coulombValues_function_value , ( bp::arg("i") ) , "Return the actual values of the coulomb free energy gradients of the ith component" ); } { //::SireAnalysis::ComponentGradients::data typedef ::QMap< double, SireSystem::FreeEnergyMonitor > ( ::SireAnalysis::ComponentGradients::*data_function_type)( ) const; data_function_type data_function_value( &::SireAnalysis::ComponentGradients::data ); ComponentGradients_exposer.def( "data" , data_function_value , "Return the raw data for all of the free energy components" ); } { //::SireAnalysis::ComponentGradients::deltaLambda typedef double ( ::SireAnalysis::ComponentGradients::*deltaLambda_function_type)( ) const; deltaLambda_function_type deltaLambda_function_value( &::SireAnalysis::ComponentGradients::deltaLambda ); ComponentGradients_exposer.def( "deltaLambda" , deltaLambda_function_value , "Return the value of delta lambda used to approximate the free energy gradients" ); } { //::SireAnalysis::ComponentGradients::gradientsAt typedef ::SireAnalysis::Gradients ( ::SireAnalysis::ComponentGradients::*gradientsAt_function_type)( int ) const; gradientsAt_function_type gradientsAt_function_value( &::SireAnalysis::ComponentGradients::gradientsAt ); ComponentGradients_exposer.def( "gradientsAt" , gradientsAt_function_value , ( bp::arg("i") ) , "Return the set of free energy gradients for the ith free energy component" ); } { //::SireAnalysis::ComponentGradients::integrate typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrate_function_type)( int ) const; integrate_function_type integrate_function_value( &::SireAnalysis::ComponentGradients::integrate ); ComponentGradients_exposer.def( "integrate" , integrate_function_value , ( bp::arg("i") ) , "Integrate the free energy gradients of the ith component\nand return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrate typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrate_function_type)( int,int ) const; integrate_function_type integrate_function_value( &::SireAnalysis::ComponentGradients::integrate ); ComponentGradients_exposer.def( "integrate" , integrate_function_value , ( bp::arg("i"), bp::arg("order") ) , "Integrate the free energy gradients of the ith component to order order and\nreturn the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrate typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrate_function_type)( int,double,double ) const; integrate_function_type integrate_function_value( &::SireAnalysis::ComponentGradients::integrate ); ComponentGradients_exposer.def( "integrate" , integrate_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max") ) , "Integrate the free energy gradients of the ith component between the range\nrange_min to range_max, and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrate typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrate_function_type)( int,double,double,int ) const; integrate_function_type integrate_function_value( &::SireAnalysis::ComponentGradients::integrate ); ComponentGradients_exposer.def( "integrate" , integrate_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max"), bp::arg("order") ) , "Integrate the free energy gradients of the ith component to order order\nbetween the range range_min to range_max and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateCoulomb typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateCoulomb_function_type)( int ) const; integrateCoulomb_function_type integrateCoulomb_function_value( &::SireAnalysis::ComponentGradients::integrateCoulomb ); ComponentGradients_exposer.def( "integrateCoulomb" , integrateCoulomb_function_value , ( bp::arg("i") ) , "Integrate the coulomb free energy gradients of the ith component\nand return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateCoulomb typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateCoulomb_function_type)( int,int ) const; integrateCoulomb_function_type integrateCoulomb_function_value( &::SireAnalysis::ComponentGradients::integrateCoulomb ); ComponentGradients_exposer.def( "integrateCoulomb" , integrateCoulomb_function_value , ( bp::arg("i"), bp::arg("order") ) , "Integrate the coulomb free energy gradients of the ith component to order order and\nreturn the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateCoulomb typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateCoulomb_function_type)( int,double,double ) const; integrateCoulomb_function_type integrateCoulomb_function_value( &::SireAnalysis::ComponentGradients::integrateCoulomb ); ComponentGradients_exposer.def( "integrateCoulomb" , integrateCoulomb_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max") ) , "Integrate the coulomb free energy gradients of the ith component between the range\nrange_min to range_max, and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateCoulomb typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateCoulomb_function_type)( int,double,double,int ) const; integrateCoulomb_function_type integrateCoulomb_function_value( &::SireAnalysis::ComponentGradients::integrateCoulomb ); ComponentGradients_exposer.def( "integrateCoulomb" , integrateCoulomb_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max"), bp::arg("order") ) , "Integrate the coulomb free energy gradients of the ith component to order order\nbetween the range range_min to range_max and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateLJ typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateLJ_function_type)( int ) const; integrateLJ_function_type integrateLJ_function_value( &::SireAnalysis::ComponentGradients::integrateLJ ); ComponentGradients_exposer.def( "integrateLJ" , integrateLJ_function_value , ( bp::arg("i") ) , "Integrate the LJ free energy gradients of the ith component\nand return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateLJ typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateLJ_function_type)( int,int ) const; integrateLJ_function_type integrateLJ_function_value( &::SireAnalysis::ComponentGradients::integrateLJ ); ComponentGradients_exposer.def( "integrateLJ" , integrateLJ_function_value , ( bp::arg("i"), bp::arg("order") ) , "Integrate the LJ free energy gradients of the ith component to order order and\nreturn the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateLJ typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateLJ_function_type)( int,double,double ) const; integrateLJ_function_type integrateLJ_function_value( &::SireAnalysis::ComponentGradients::integrateLJ ); ComponentGradients_exposer.def( "integrateLJ" , integrateLJ_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max") ) , "Integrate the LJ free energy gradients of the ith component between the range\nrange_min to range_max, and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::integrateLJ typedef ::SireAnalysis::TIPMF ( ::SireAnalysis::ComponentGradients::*integrateLJ_function_type)( int,double,double,int ) const; integrateLJ_function_type integrateLJ_function_value( &::SireAnalysis::ComponentGradients::integrateLJ ); ComponentGradients_exposer.def( "integrateLJ" , integrateLJ_function_value , ( bp::arg("i"), bp::arg("range_min"), bp::arg("range_max"), bp::arg("order") ) , "Integrate the LJ free energy gradients of the ith component to order order\nbetween the range range_min to range_max and return the resulting PMF" ); } { //::SireAnalysis::ComponentGradients::isCompatible typedef bool ( ::SireAnalysis::ComponentGradients::*isCompatible_function_type)( ::SireAnalysis::ComponentGradients const & ) const; isCompatible_function_type isCompatible_function_value( &::SireAnalysis::ComponentGradients::isCompatible ); ComponentGradients_exposer.def( "isCompatible" , isCompatible_function_value , ( bp::arg("other") ) , "Return whether or not this set of gradients is compatible with the ones\nprovided in other" ); } { //::SireAnalysis::ComponentGradients::isEmpty typedef bool ( ::SireAnalysis::ComponentGradients::*isEmpty_function_type)( ) const; isEmpty_function_type isEmpty_function_value( &::SireAnalysis::ComponentGradients::isEmpty ); ComponentGradients_exposer.def( "isEmpty" , isEmpty_function_value , "Return whether or not this set is empty" ); } { //::SireAnalysis::ComponentGradients::lambdaValues typedef ::QList< double > ( ::SireAnalysis::ComponentGradients::*lambdaValues_function_type)( ) const; lambdaValues_function_type lambdaValues_function_value( &::SireAnalysis::ComponentGradients::lambdaValues ); ComponentGradients_exposer.def( "lambdaValues" , lambdaValues_function_value , "Return the lambda values over which all of the components were collected" ); } { //::SireAnalysis::ComponentGradients::ljGradientsAt typedef ::SireAnalysis::Gradients ( ::SireAnalysis::ComponentGradients::*ljGradientsAt_function_type)( int ) const; ljGradientsAt_function_type ljGradientsAt_function_value( &::SireAnalysis::ComponentGradients::ljGradientsAt ); ComponentGradients_exposer.def( "ljGradientsAt" , ljGradientsAt_function_value , ( bp::arg("i") ) , "Return the set of LJ free energy gradients for the ith free energy component" ); } { //::SireAnalysis::ComponentGradients::ljValues typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::ComponentGradients::*ljValues_function_type)( int ) const; ljValues_function_type ljValues_function_value( &::SireAnalysis::ComponentGradients::ljValues ); ComponentGradients_exposer.def( "ljValues" , ljValues_function_value , ( bp::arg("i") ) , "Return the actual values of the LJ free energy gradients of the ith component" ); } { //::SireAnalysis::ComponentGradients::merge typedef ::SireAnalysis::ComponentGradients ( *merge_function_type )( ::QList< SireAnalysis::ComponentGradients > const & ); merge_function_type merge_function_value( &::SireAnalysis::ComponentGradients::merge ); ComponentGradients_exposer.def( "merge" , merge_function_value , ( bp::arg("gradients") ) , "Merge together all of the passed gradients. Note that they must all be compatible\nwith one another, otherwise an exception will be raised" ); } { //::SireAnalysis::ComponentGradients::nComponents typedef int ( ::SireAnalysis::ComponentGradients::*nComponents_function_type)( ) const; nComponents_function_type nComponents_function_value( &::SireAnalysis::ComponentGradients::nComponents ); ComponentGradients_exposer.def( "nComponents" , nComponents_function_value , "Return the number of free energy components (number of molecule views whose\nfree energy of interaction was recorded)" ); } { //::SireAnalysis::ComponentGradients::nLambdaValues typedef int ( ::SireAnalysis::ComponentGradients::*nLambdaValues_function_type)( ) const; nLambdaValues_function_type nLambdaValues_function_value( &::SireAnalysis::ComponentGradients::nLambdaValues ); ComponentGradients_exposer.def( "nLambdaValues" , nLambdaValues_function_value , "Return the number of lambda values over which the free energy components have\nbeen recorded" ); } { //::SireAnalysis::ComponentGradients::nSamples typedef ::qint64 ( ::SireAnalysis::ComponentGradients::*nSamples_function_type)( ) const; nSamples_function_type nSamples_function_value( &::SireAnalysis::ComponentGradients::nSamples ); ComponentGradients_exposer.def( "nSamples" , nSamples_function_value , "Return the number of samples used to form all of the average components" ); } ComponentGradients_exposer.def( bp::self != bp::self ); ComponentGradients_exposer.def( bp::self + bp::self ); { //::SireAnalysis::ComponentGradients::operator= typedef ::SireAnalysis::ComponentGradients & ( ::SireAnalysis::ComponentGradients::*assign_function_type)( ::SireAnalysis::ComponentGradients const & ) ; assign_function_type assign_function_value( &::SireAnalysis::ComponentGradients::operator= ); ComponentGradients_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } ComponentGradients_exposer.def( bp::self == bp::self ); { //::SireAnalysis::ComponentGradients::temperature typedef ::SireUnits::Dimension::Temperature ( ::SireAnalysis::ComponentGradients::*temperature_function_type)( ) const; temperature_function_type temperature_function_value( &::SireAnalysis::ComponentGradients::temperature ); ComponentGradients_exposer.def( "temperature" , temperature_function_value , "Return the temperature at which all of the components were collected" ); } { //::SireAnalysis::ComponentGradients::toString typedef ::QString ( ::SireAnalysis::ComponentGradients::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireAnalysis::ComponentGradients::toString ); ComponentGradients_exposer.def( "toString" , toString_function_value , "" ); } { //::SireAnalysis::ComponentGradients::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::ComponentGradients::typeName ); ComponentGradients_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireAnalysis::ComponentGradients::values typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::ComponentGradients::*values_function_type)( int ) const; values_function_type values_function_value( &::SireAnalysis::ComponentGradients::values ); ComponentGradients_exposer.def( "values" , values_function_value , ( bp::arg("i") ) , "Return the actual values of the free energy gradients of the ith component" ); } { //::SireAnalysis::ComponentGradients::viewAt typedef ::SireMol::PartialMolecule ( ::SireAnalysis::ComponentGradients::*viewAt_function_type)( int ) const; viewAt_function_type viewAt_function_value( &::SireAnalysis::ComponentGradients::viewAt ); ComponentGradients_exposer.def( "viewAt" , viewAt_function_value , ( bp::arg("i") ) , "Return the ith view that corresponds to the ith free energy component.\nNote that this returns the view in the numerically first (lowest) lambda\nvalue. Use viewAt(int i, double lamval) if you want to specify the lambda\nvalue from which you want to extract the view." ); } { //::SireAnalysis::ComponentGradients::viewAt typedef ::SireMol::PartialMolecule ( ::SireAnalysis::ComponentGradients::*viewAt_function_type)( int,double ) const; viewAt_function_type viewAt_function_value( &::SireAnalysis::ComponentGradients::viewAt ); ComponentGradients_exposer.def( "viewAt" , viewAt_function_value , ( bp::arg("i"), bp::arg("lamval") ) , "Return the ith view from lambda value lamval that corresponds to the\nith free energy component." ); } { //::SireAnalysis::ComponentGradients::what typedef char const * ( ::SireAnalysis::ComponentGradients::*what_function_type)( ) const; what_function_type what_function_value( &::SireAnalysis::ComponentGradients::what ); ComponentGradients_exposer.def( "what" , what_function_value , "" ); } ComponentGradients_exposer.staticmethod( "merge" ); ComponentGradients_exposer.staticmethod( "typeName" ); ComponentGradients_exposer.def( "__copy__", &__copy__); ComponentGradients_exposer.def( "__deepcopy__", &__copy__); ComponentGradients_exposer.def( "clone", &__copy__); ComponentGradients_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireAnalysis::ComponentGradients >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ComponentGradients_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireAnalysis::ComponentGradients >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ComponentGradients_exposer.def( "__str__", &__str__< ::SireAnalysis::ComponentGradients > ); ComponentGradients_exposer.def( "__repr__", &__str__< ::SireAnalysis::ComponentGradients > ); } }
void register_BennettsRatios_class(){ { //::SireAnalysis::BennettsRatios typedef bp::class_< SireAnalysis::BennettsRatios, bp::bases< SireBase::Property > > BennettsRatios_exposer_t; BennettsRatios_exposer_t BennettsRatios_exposer = BennettsRatios_exposer_t( "BennettsRatios", bp::init< >() ); bp::scope BennettsRatios_scope( BennettsRatios_exposer ); BennettsRatios_exposer.def( bp::init< QList< double > const &, QMap< double, SireMaths::BennettsFreeEnergyAverage > const &, QMap< double, SireMaths::BennettsFreeEnergyAverage > const & >(( bp::arg("windows"), bp::arg("forwards_ratios"), bp::arg("backwards_ratios") )) ); BennettsRatios_exposer.def( bp::init< SireAnalysis::BennettsRatios const & >(( bp::arg("other") )) ); { //::SireAnalysis::BennettsRatios::backwardsData typedef ::QMap< double, SireMaths::BennettsFreeEnergyAverage > ( ::SireAnalysis::BennettsRatios::*backwardsData_function_type )( ) const; backwardsData_function_type backwardsData_function_value( &::SireAnalysis::BennettsRatios::backwardsData ); BennettsRatios_exposer.def( "backwardsData" , backwardsData_function_value ); } { //::SireAnalysis::BennettsRatios::backwardsRatios typedef ::QMap< double, SireMaths::BennettsFreeEnergyAverage > ( ::SireAnalysis::BennettsRatios::*backwardsRatios_function_type )( ) const; backwardsRatios_function_type backwardsRatios_function_value( &::SireAnalysis::BennettsRatios::backwardsRatios ); BennettsRatios_exposer.def( "backwardsRatios" , backwardsRatios_function_value ); } { //::SireAnalysis::BennettsRatios::constants typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::BennettsRatios::*constants_function_type )( ) const; constants_function_type constants_function_value( &::SireAnalysis::BennettsRatios::constants ); BennettsRatios_exposer.def( "constants" , constants_function_value ); } { //::SireAnalysis::BennettsRatios::denominators typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::BennettsRatios::*denominators_function_type )( ) const; denominators_function_type denominators_function_value( &::SireAnalysis::BennettsRatios::denominators ); BennettsRatios_exposer.def( "denominators" , denominators_function_value ); } { //::SireAnalysis::BennettsRatios::forwardsData typedef ::QMap< double, SireMaths::BennettsFreeEnergyAverage > ( ::SireAnalysis::BennettsRatios::*forwardsData_function_type )( ) const; forwardsData_function_type forwardsData_function_value( &::SireAnalysis::BennettsRatios::forwardsData ); BennettsRatios_exposer.def( "forwardsData" , forwardsData_function_value ); } { //::SireAnalysis::BennettsRatios::forwardsRatios typedef ::QMap< double, SireMaths::BennettsFreeEnergyAverage > ( ::SireAnalysis::BennettsRatios::*forwardsRatios_function_type )( ) const; forwardsRatios_function_type forwardsRatios_function_value( &::SireAnalysis::BennettsRatios::forwardsRatios ); BennettsRatios_exposer.def( "forwardsRatios" , forwardsRatios_function_value ); } { //::SireAnalysis::BennettsRatios::integrate typedef ::SireAnalysis::PMF ( ::SireAnalysis::BennettsRatios::*integrate_function_type )( ) const; integrate_function_type integrate_function_value( &::SireAnalysis::BennettsRatios::integrate ); BennettsRatios_exposer.def( "integrate" , integrate_function_value ); } { //::SireAnalysis::BennettsRatios::isEmpty typedef bool ( ::SireAnalysis::BennettsRatios::*isEmpty_function_type )( ) const; isEmpty_function_type isEmpty_function_value( &::SireAnalysis::BennettsRatios::isEmpty ); BennettsRatios_exposer.def( "isEmpty" , isEmpty_function_value ); } { //::SireAnalysis::BennettsRatios::lambdaValues typedef ::QList< double > ( ::SireAnalysis::BennettsRatios::*lambdaValues_function_type )( ) const; lambdaValues_function_type lambdaValues_function_value( &::SireAnalysis::BennettsRatios::lambdaValues ); BennettsRatios_exposer.def( "lambdaValues" , lambdaValues_function_value ); } { //::SireAnalysis::BennettsRatios::merge typedef ::SireAnalysis::BennettsRatios ( *merge_function_type )( ::QList< SireAnalysis::BennettsRatios > const & ); merge_function_type merge_function_value( &::SireAnalysis::BennettsRatios::merge ); BennettsRatios_exposer.def( "merge" , merge_function_value , ( bp::arg("deltas") ) ); } { //::SireAnalysis::BennettsRatios::nLambdaValues typedef int ( ::SireAnalysis::BennettsRatios::*nLambdaValues_function_type )( ) const; nLambdaValues_function_type nLambdaValues_function_value( &::SireAnalysis::BennettsRatios::nLambdaValues ); BennettsRatios_exposer.def( "nLambdaValues" , nLambdaValues_function_value ); } { //::SireAnalysis::BennettsRatios::nSamples typedef ::qint64 ( ::SireAnalysis::BennettsRatios::*nSamples_function_type )( ) const; nSamples_function_type nSamples_function_value( &::SireAnalysis::BennettsRatios::nSamples ); BennettsRatios_exposer.def( "nSamples" , nSamples_function_value ); } { //::SireAnalysis::BennettsRatios::nWindows typedef int ( ::SireAnalysis::BennettsRatios::*nWindows_function_type )( ) const; nWindows_function_type nWindows_function_value( &::SireAnalysis::BennettsRatios::nWindows ); BennettsRatios_exposer.def( "nWindows" , nWindows_function_value ); } { //::SireAnalysis::BennettsRatios::numerators typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::BennettsRatios::*numerators_function_type )( ) const; numerators_function_type numerators_function_value( &::SireAnalysis::BennettsRatios::numerators ); BennettsRatios_exposer.def( "numerators" , numerators_function_value ); } BennettsRatios_exposer.def( bp::self != bp::self ); BennettsRatios_exposer.def( bp::self + bp::self ); { //::SireAnalysis::BennettsRatios::operator= typedef ::SireAnalysis::BennettsRatios & ( ::SireAnalysis::BennettsRatios::*assign_function_type )( ::SireAnalysis::BennettsRatios const & ) ; assign_function_type assign_function_value( &::SireAnalysis::BennettsRatios::operator= ); BennettsRatios_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } BennettsRatios_exposer.def( bp::self == bp::self ); { //::SireAnalysis::BennettsRatios::sum typedef ::SireAnalysis::PMF ( ::SireAnalysis::BennettsRatios::*sum_function_type )( ) const; sum_function_type sum_function_value( &::SireAnalysis::BennettsRatios::sum ); BennettsRatios_exposer.def( "sum" , sum_function_value ); } { //::SireAnalysis::BennettsRatios::temperature typedef ::SireUnits::Dimension::Temperature ( ::SireAnalysis::BennettsRatios::*temperature_function_type )( ) const; temperature_function_type temperature_function_value( &::SireAnalysis::BennettsRatios::temperature ); BennettsRatios_exposer.def( "temperature" , temperature_function_value ); } { //::SireAnalysis::BennettsRatios::toString typedef ::QString ( ::SireAnalysis::BennettsRatios::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireAnalysis::BennettsRatios::toString ); BennettsRatios_exposer.def( "toString" , toString_function_value ); } { //::SireAnalysis::BennettsRatios::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::BennettsRatios::typeName ); BennettsRatios_exposer.def( "typeName" , typeName_function_value ); } { //::SireAnalysis::BennettsRatios::values typedef ::QVector< SireAnalysis::DataPoint > ( ::SireAnalysis::BennettsRatios::*values_function_type )( ) const; values_function_type values_function_value( &::SireAnalysis::BennettsRatios::values ); BennettsRatios_exposer.def( "values" , values_function_value ); } { //::SireAnalysis::BennettsRatios::what typedef char const * ( ::SireAnalysis::BennettsRatios::*what_function_type )( ) const; what_function_type what_function_value( &::SireAnalysis::BennettsRatios::what ); BennettsRatios_exposer.def( "what" , what_function_value ); } { //::SireAnalysis::BennettsRatios::windows typedef ::QList< double > ( ::SireAnalysis::BennettsRatios::*windows_function_type )( ) const; windows_function_type windows_function_value( &::SireAnalysis::BennettsRatios::windows ); BennettsRatios_exposer.def( "windows" , windows_function_value ); } BennettsRatios_exposer.staticmethod( "merge" ); BennettsRatios_exposer.staticmethod( "typeName" ); BennettsRatios_exposer.def( "__copy__", &__copy__); BennettsRatios_exposer.def( "__deepcopy__", &__copy__); BennettsRatios_exposer.def( "clone", &__copy__); BennettsRatios_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireAnalysis::BennettsRatios >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); BennettsRatios_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireAnalysis::BennettsRatios >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); BennettsRatios_exposer.def( "__str__", &__str__< ::SireAnalysis::BennettsRatios > ); BennettsRatios_exposer.def( "__repr__", &__str__< ::SireAnalysis::BennettsRatios > ); } }
void register_ComplexValues_class(){ { //::SireCAS::ComplexValues typedef bp::class_< SireCAS::ComplexValues > ComplexValues_exposer_t; ComplexValues_exposer_t ComplexValues_exposer = ComplexValues_exposer_t( "ComplexValues", "\nThis class holds a set of Symbols and their associated complex values.\nThis is used when numerically evaluating an equation using complex maths.\n\nAuthor: Christopher Woods\n", bp::init< >("Construct an empty set of values") ); bp::scope ComplexValues_scope( ComplexValues_exposer ); ComplexValues_exposer.def( bp::init< QList< SireCAS::SymbolComplex > const & >(( bp::arg("values") ), "Construct from a list of values") ); ComplexValues_exposer.def( bp::init< QHash< SireCAS::Symbol, SireMaths::Complex > const & >(( bp::arg("values") ), "Construct from a hash of values indexed by symbol") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const & >(( bp::arg("symval0") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7"), bp::arg("symval8") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const &, SireCAS::SymbolComplex const & >(( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7"), bp::arg("symval8"), bp::arg("symval9") ), "Construct from the passed values") ); ComplexValues_exposer.def( bp::init< SireCAS::Values const & >(( bp::arg("other") ), "Construct from Values") ); ComplexValues_exposer.def( bp::init< SireCAS::ComplexValues const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0") ) , "" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7"), bp::arg("symval8") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::add typedef void ( ::SireCAS::ComplexValues::*add_function_type)( ::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const &,::SireCAS::SymbolComplex const & ) ; add_function_type add_function_value( &::SireCAS::ComplexValues::add ); ComplexValues_exposer.def( "add" , add_function_value , ( bp::arg("symval0"), bp::arg("symval1"), bp::arg("symval2"), bp::arg("symval3"), bp::arg("symval4"), bp::arg("symval5"), bp::arg("symval6"), bp::arg("symval7"), bp::arg("symval8"), bp::arg("symval9") ) , "Add the passed values" ); } { //::SireCAS::ComplexValues::set typedef void ( ::SireCAS::ComplexValues::*set_function_type)( ::SireCAS::Symbol const &,::SireMaths::Complex const & ) ; set_function_type set_function_value( &::SireCAS::ComplexValues::set ); ComplexValues_exposer.def( "set" , set_function_value , ( bp::arg("symbol"), bp::arg("value") ) , "" ); } { //::SireCAS::ComplexValues::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireCAS::ComplexValues::typeName ); ComplexValues_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireCAS::ComplexValues::value typedef ::SireMaths::Complex ( ::SireCAS::ComplexValues::*value_function_type)( ::SireCAS::Symbol const & ) const; value_function_type value_function_value( &::SireCAS::ComplexValues::value ); ComplexValues_exposer.def( "value" , value_function_value , ( bp::arg("sym") ) , "Return the value of the Symbol with ID id, or 0.0 if there is no such symbol" ); } { //::SireCAS::ComplexValues::values typedef ::QHash< unsigned int, SireMaths::Complex > const & ( ::SireCAS::ComplexValues::*values_function_type)( ) const; values_function_type values_function_value( &::SireCAS::ComplexValues::values ); ComplexValues_exposer.def( "values" , values_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireCAS::ComplexValues::what typedef char const * ( ::SireCAS::ComplexValues::*what_function_type)( ) const; what_function_type what_function_value( &::SireCAS::ComplexValues::what ); ComplexValues_exposer.def( "what" , what_function_value , "" ); } ComplexValues_exposer.staticmethod( "typeName" ); ComplexValues_exposer.def( "__copy__", &__copy__); ComplexValues_exposer.def( "__deepcopy__", &__copy__); ComplexValues_exposer.def( "clone", &__copy__); ComplexValues_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireCAS::ComplexValues >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ComplexValues_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireCAS::ComplexValues >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ComplexValues_exposer.def( "__str__", &pvt_get_name); ComplexValues_exposer.def( "__repr__", &pvt_get_name); } }
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 > ); } }