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 > );
}
}
