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本文整理汇总了C++中typeName_function_value函数的典型用法代码示例。如果您正苦于以下问题:C++ typeName_function_value函数的具体用法?C++ typeName_function_value怎么用?C++ typeName_function_value使用的例子?那么恭喜您, 这里精选的函数代码示例或许可以为您提供帮助。 在下文中一共展示了typeName_function_value函数的30个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于我们的系统推荐出更棒的C++代码示例。 示例1: register_ComponentGradients_class//.........这里部分代码省略......... "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
开发者ID:Steboss,项目名称:Sire,代码行数:67,
示例2: register_QMProgram_class//.........这里部分代码省略......... "calculateCharges" , calculateCharges_function_value , ( bp::arg("molecule") ) ); } { //::Squire::QMProgram::chargeCommandFile typedef ::QString ( ::Squire::QMProgram::*chargeCommandFile_function_type )( ::SireMol::Molecule const & ) const; chargeCommandFile_function_type chargeCommandFile_function_value( &::Squire::QMProgram::chargeCommandFile ); QMProgram_exposer.def( "chargeCommandFile" , chargeCommandFile_function_value , ( bp::arg("molecule") ) ); } { //::Squire::QMProgram::chargeCommandFile typedef ::QString ( ::Squire::QMProgram::*chargeCommandFile_function_type )( ::SireMol::Molecule const &,::SireBase::PropertyMap const & ) const; chargeCommandFile_function_type chargeCommandFile_function_value( &::Squire::QMProgram::chargeCommandFile ); QMProgram_exposer.def( "chargeCommandFile" , chargeCommandFile_function_value , ( bp::arg("molecule"), bp::arg("map") ) ); } { //::Squire::QMProgram::null typedef ::Squire::NullQM const & ( *null_function_type )( ); null_function_type null_function_value( &::Squire::QMProgram::null ); QMProgram_exposer.def( "null" , null_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::Squire::QMProgram::numberOfMMAtomsLimit typedef int ( ::Squire::QMProgram::*numberOfMMAtomsLimit_function_type )( ) const; numberOfMMAtomsLimit_function_type numberOfMMAtomsLimit_function_value( &::Squire::QMProgram::numberOfMMAtomsLimit ); QMProgram_exposer.def( "numberOfMMAtomsLimit" , numberOfMMAtomsLimit_function_value ); } { //::Squire::QMProgram::numberOfMMAtomsLimit typedef int ( ::Squire::QMProgram::*numberOfMMAtomsLimit_function_type )( int ) const; numberOfMMAtomsLimit_function_type numberOfMMAtomsLimit_function_value( &::Squire::QMProgram::numberOfMMAtomsLimit ); QMProgram_exposer.def( "numberOfMMAtomsLimit" , numberOfMMAtomsLimit_function_value , ( bp::arg("num_qm_atoms") ) ); } { //::Squire::QMProgram::supportsGaussianCharges typedef bool ( ::Squire::QMProgram::*supportsGaussianCharges_function_type )( ) const; supportsGaussianCharges_function_type supportsGaussianCharges_function_value( &::Squire::QMProgram::supportsGaussianCharges ); QMProgram_exposer.def( "supportsGaussianCharges" , supportsGaussianCharges_function_value ); } { //::Squire::QMProgram::supportsLatticeCharges typedef bool ( ::Squire::QMProgram::*supportsLatticeCharges_function_type )( ) const; supportsLatticeCharges_function_type supportsLatticeCharges_function_value( &::Squire::QMProgram::supportsLatticeCharges ); QMProgram_exposer.def( "supportsLatticeCharges" , supportsLatticeCharges_function_value ); } { //::Squire::QMProgram::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::QMProgram::typeName ); QMProgram_exposer.def( "typeName" , typeName_function_value ); } QMProgram_exposer.staticmethod( "null" ); QMProgram_exposer.staticmethod( "typeName" ); QMProgram_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMProgram >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMProgram_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMProgram >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMProgram_exposer.def( "__str__", &__str__< ::Squire::QMProgram > ); QMProgram_exposer.def( "__repr__", &__str__< ::Squire::QMProgram > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例3: register_SupraSubMove_classvoid register_SupraSubMove_class(){ { //::SireMove::SupraSubMove typedef bp::class_< SireMove::SupraSubMove, bp::bases< SireBase::Property >, boost::noncopyable > SupraSubMove_exposer_t; SupraSubMove_exposer_t SupraSubMove_exposer = SupraSubMove_exposer_t( "SupraSubMove", bp::no_init ); bp::scope SupraSubMove_scope( SupraSubMove_exposer ); { //::SireMove::SupraSubMove::clearStatistics typedef void ( ::SireMove::SupraSubMove::*clearStatistics_function_type )( ) ; clearStatistics_function_type clearStatistics_function_value( &::SireMove::SupraSubMove::clearStatistics ); SupraSubMove_exposer.def( "clearStatistics" , clearStatistics_function_value ); } { //::SireMove::SupraSubMove::move typedef void ( ::SireMove::SupraSubMove::*move_function_type )( ::SireMove::SupraSubSystem &,int,int,bool ) ; move_function_type move_function_value( &::SireMove::SupraSubMove::move ); SupraSubMove_exposer.def( "move" , move_function_value , ( bp::arg("system"), bp::arg("n_supra_moves"), bp::arg("n_supra_moves_per_block"), bp::arg("record_stats")=(bool)(true) ) ); } { //::SireMove::SupraSubMove::null typedef ::SireMove::NullSupraSubMove const & ( *null_function_type )( ); null_function_type null_function_value( &::SireMove::SupraSubMove::null ); SupraSubMove_exposer.def( "null" , null_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMove::SupraSubMove::toString typedef ::QString ( ::SireMove::SupraSubMove::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMove::SupraSubMove::toString ); SupraSubMove_exposer.def( "toString" , toString_function_value ); } { //::SireMove::SupraSubMove::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMove::SupraSubMove::typeName ); SupraSubMove_exposer.def( "typeName" , typeName_function_value ); } SupraSubMove_exposer.staticmethod( "null" ); SupraSubMove_exposer.staticmethod( "typeName" ); SupraSubMove_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::SupraSubMove >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SupraSubMove_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::SupraSubMove >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SupraSubMove_exposer.def( "__str__", &__str__< ::SireMove::SupraSubMove > ); SupraSubMove_exposer.def( "__repr__", &__str__< ::SireMove::SupraSubMove > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:69,
示例4: register_SingleComponent_classvoid register_SingleComponent_class(){ { //::SireFF::SingleComponent typedef bp::class_< SireFF::SingleComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > SingleComponent_exposer_t; SingleComponent_exposer_t SingleComponent_exposer = SingleComponent_exposer_t( "SingleComponent", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() )) ); bp::scope SingleComponent_scope( SingleComponent_exposer ); SingleComponent_exposer.def( bp::init< SireFF::FFName const &, QString const & >(( bp::arg("ffname"), bp::arg("suffix") )) ); SingleComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") )) ); SingleComponent_exposer.def( bp::init< SireFF::SingleComponent const & >(( bp::arg("other") )) ); { //::SireFF::SingleComponent::changeEnergy typedef void ( ::SireFF::SingleComponent::*changeEnergy_function_type )( ::SireFF::FF &,::SireFF::SingleEnergy const & ) const; changeEnergy_function_type changeEnergy_function_value( &::SireFF::SingleComponent::changeEnergy ); SingleComponent_exposer.def( "changeEnergy" , changeEnergy_function_value , ( bp::arg("ff"), bp::arg("nrg") ) ); } { //::SireFF::SingleComponent::setEnergy typedef void ( ::SireFF::SingleComponent::*setEnergy_function_type )( ::SireFF::FF &,::SireFF::SingleEnergy const & ) const; setEnergy_function_type setEnergy_function_value( &::SireFF::SingleComponent::setEnergy ); SingleComponent_exposer.def( "setEnergy" , setEnergy_function_value , ( bp::arg("ff"), bp::arg("nrg") ) ); } { //::SireFF::SingleComponent::symbols typedef ::SireCAS::Symbols ( ::SireFF::SingleComponent::*symbols_function_type )( ) const; symbols_function_type symbols_function_value( &::SireFF::SingleComponent::symbols ); SingleComponent_exposer.def( "symbols" , symbols_function_value ); } { //::SireFF::SingleComponent::total typedef ::SireFF::SingleComponent const & ( ::SireFF::SingleComponent::*total_function_type )( ) const; total_function_type total_function_value( &::SireFF::SingleComponent::total ); SingleComponent_exposer.def( "total" , total_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireFF::SingleComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::SingleComponent::typeName ); SingleComponent_exposer.def( "typeName" , typeName_function_value ); } { //::SireFF::SingleComponent::what typedef char const * ( ::SireFF::SingleComponent::*what_function_type )( ) const; what_function_type what_function_value( &::SireFF::SingleComponent::what ); SingleComponent_exposer.def( "what" , what_function_value ); } SingleComponent_exposer.staticmethod( "typeName" ); SingleComponent_exposer.def( "__copy__", &__copy__); SingleComponent_exposer.def( "__deepcopy__", &__copy__); SingleComponent_exposer.def( "clone", &__copy__); SingleComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::SingleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SingleComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::SingleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); SingleComponent_exposer.def( "__str__", &__str__< ::SireFF::SingleComponent > ); SingleComponent_exposer.def( "__repr__", &__str__< ::SireFF::SingleComponent > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:85,
示例5: register_PotentialTable_class//.........这里部分代码省略......... PotentialTable_exposer.def( -bp::self ); PotentialTable_exposer.def( bp::self / bp::other< double >() ); { //::SireFF::PotentialTable::operator= typedef ::SireFF::PotentialTable & ( ::SireFF::PotentialTable::*assign_function_type)( ::SireFF::PotentialTable const & ) ; assign_function_type assign_function_value( &::SireFF::PotentialTable::operator= ); PotentialTable_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } { //::SireFF::PotentialTable::operator= typedef ::SireFF::PotentialTable & ( ::SireFF::PotentialTable::*assign_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ; assign_function_type assign_function_value( &::SireFF::PotentialTable::operator= ); PotentialTable_exposer.def( "assign" , assign_function_value , ( bp::arg("potential") ) , bp::return_self< >() , "" ); } PotentialTable_exposer.def( bp::self == bp::self ); { //::SireFF::PotentialTable::setAll typedef void ( ::SireFF::PotentialTable::*setAll_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ; setAll_function_type setAll_function_value( &::SireFF::PotentialTable::setAll ); PotentialTable_exposer.def( "setAll" , setAll_function_value , ( bp::arg("potential") ) , "Set the potential at all atom and grid points equal to potential" ); } { //::SireFF::PotentialTable::subtract typedef void ( ::SireFF::PotentialTable::*subtract_function_type)( ::SireFF::PotentialTable const & ) ; subtract_function_type subtract_function_value( &::SireFF::PotentialTable::subtract ); PotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("other") ) , "Subtract the contents of the table other from this table. This will only/nsubtract the potentials for the molecules grids that are in both tables" ); } { //::SireFF::PotentialTable::subtract typedef void ( ::SireFF::PotentialTable::*subtract_function_type)( ::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::PotentialTable::subtract ); PotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("potential") ) , "Subtract the potential potential from all of the atom grid points in this table" ); } { //::SireFF::PotentialTable::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::PotentialTable::typeName ); PotentialTable_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireFF::PotentialTable::what typedef char const * ( ::SireFF::PotentialTable::*what_function_type)( ) const; what_function_type what_function_value( &::SireFF::PotentialTable::what ); PotentialTable_exposer.def( "what" , what_function_value , "" ); } PotentialTable_exposer.staticmethod( "typeName" ); PotentialTable_exposer.def( "__copy__", &__copy__); PotentialTable_exposer.def( "__deepcopy__", &__copy__); PotentialTable_exposer.def( "clone", &__copy__); PotentialTable_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::PotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PotentialTable_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::PotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PotentialTable_exposer.def( "__str__", &pvt_get_name); PotentialTable_exposer.def( "__repr__", &pvt_get_name); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例6: register_MolResNum_class//.........这里部分代码省略......... typedef ::SireMol::MolResNum & ( ::SireMol::MolResNum::*assign_function_type )( ::SireMol::MolResNum const & ) ; assign_function_type assign_function_value( &::SireMol::MolResNum::operator= ); MolResNum_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } MolResNum_exposer.def( bp::self == bp::other< SireID::ID >() ); MolResNum_exposer.def( bp::self == bp::self ); { //::SireMol::MolResNum::resNum typedef ::SireMol::ResNum const & ( ::SireMol::MolResNum::*resNum_function_type )( ) const; resNum_function_type resNum_function_value( &::SireMol::MolResNum::resNum ); MolResNum_exposer.def( "resNum" , resNum_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::Molecules const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molecules"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::MoleculeGroup const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroup"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::selectAllFrom typedef ::QHash< SireMol::MolNum, SireMol::Selector< SireMol::Residue > > ( ::SireMol::MolResNum::*selectAllFrom_function_type )( ::SireMol::MolGroupsBase const &,::SireBase::PropertyMap const & ) const; selectAllFrom_function_type selectAllFrom_function_value( &::SireMol::MolResNum::selectAllFrom ); MolResNum_exposer.def( "selectAllFrom" , selectAllFrom_function_value , ( bp::arg("molgroups"), bp::arg("map")=SireBase::PropertyMap() ) ); } { //::SireMol::MolResNum::toString typedef ::QString ( ::SireMol::MolResNum::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMol::MolResNum::toString ); MolResNum_exposer.def( "toString" , toString_function_value ); } { //::SireMol::MolResNum::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMol::MolResNum::typeName ); MolResNum_exposer.def( "typeName" , typeName_function_value ); } { //::SireMol::MolResNum::what typedef char const * ( ::SireMol::MolResNum::*what_function_type )( ) const; what_function_type what_function_value( &::SireMol::MolResNum::what ); MolResNum_exposer.def( "what" , what_function_value ); } MolResNum_exposer.staticmethod( "typeName" ); MolResNum_exposer.def( "__copy__", &__copy__); MolResNum_exposer.def( "__deepcopy__", &__copy__); MolResNum_exposer.def( "clone", &__copy__); MolResNum_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMol::MolResNum >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolResNum_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMol::MolResNum >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolResNum_exposer.def( "__str__", &__str__< ::SireMol::MolResNum > ); MolResNum_exposer.def( "__repr__", &__str__< ::SireMol::MolResNum > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例7: register_IntegerPower_classvoid register_IntegerPower_class(){ { //::SireCAS::IntegerPower typedef bp::class_< SireCAS::IntegerPower, bp::bases< SireCAS::PowerFunction, SireCAS::ExBase > > IntegerPower_exposer_t; IntegerPower_exposer_t IntegerPower_exposer = IntegerPower_exposer_t( "IntegerPower", bp::init< >() ); bp::scope IntegerPower_scope( IntegerPower_exposer ); IntegerPower_exposer.def( bp::init< SireCAS::Expression const &, int >(( bp::arg("expression"), bp::arg("power") )) ); IntegerPower_exposer.def( bp::init< SireCAS::IntegerPower const & >(( bp::arg("other") )) ); { //::SireCAS::IntegerPower::evaluate typedef double ( ::SireCAS::IntegerPower::*evaluate_function_type )( ::SireCAS::Values const & ) const; evaluate_function_type evaluate_function_value( &::SireCAS::IntegerPower::evaluate ); IntegerPower_exposer.def( "evaluate" , evaluate_function_value , ( bp::arg("values") ) ); } { //::SireCAS::IntegerPower::evaluate typedef ::SireMaths::Complex ( ::SireCAS::IntegerPower::*evaluate_function_type )( ::SireCAS::ComplexValues const & ) const; evaluate_function_type evaluate_function_value( &::SireCAS::IntegerPower::evaluate ); IntegerPower_exposer.def( "evaluate" , evaluate_function_value , ( bp::arg("values") ) ); } { //::SireCAS::IntegerPower::hash typedef ::uint ( ::SireCAS::IntegerPower::*hash_function_type )( ) const; hash_function_type hash_function_value( &::SireCAS::IntegerPower::hash ); IntegerPower_exposer.def( "hash" , hash_function_value ); } IntegerPower_exposer.def( bp::self == bp::other< SireCAS::ExBase >() ); { //::SireCAS::IntegerPower::power typedef ::SireCAS::Expression ( ::SireCAS::IntegerPower::*power_function_type )( ) const; power_function_type power_function_value( &::SireCAS::IntegerPower::power ); IntegerPower_exposer.def( "power" , power_function_value ); } { //::SireCAS::IntegerPower::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireCAS::IntegerPower::typeName ); IntegerPower_exposer.def( "typeName" , typeName_function_value ); } { //::SireCAS::IntegerPower::what typedef char const * ( ::SireCAS::IntegerPower::*what_function_type )( ) const; what_function_type what_function_value( &::SireCAS::IntegerPower::what ); IntegerPower_exposer.def( "what" , what_function_value ); } IntegerPower_exposer.staticmethod( "typeName" ); IntegerPower_exposer.def( "__copy__", &__copy__); IntegerPower_exposer.def( "__deepcopy__", &__copy__); IntegerPower_exposer.def( "clone", &__copy__); IntegerPower_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireCAS::IntegerPower >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IntegerPower_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireCAS::IntegerPower >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IntegerPower_exposer.def( "__str__", &__str__< ::SireCAS::IntegerPower > ); IntegerPower_exposer.def( "__repr__", &__str__< ::SireCAS::IntegerPower > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:84,
示例8: register_FEP_class//.........这里部分代码省略......... FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("windows"), bp::arg("deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::set typedef void ( ::SireAnalysis::FEP::*set_function_type)( int,::QList< double > const &,::QMap< double, SireMaths::FreeEnergyAverage > const &,::QMap< double, SireMaths::FreeEnergyAverage > const & ) ; set_function_type set_function_value( &::SireAnalysis::FEP::set ); FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("windows"), bp::arg("forwards_deltas"), bp::arg("backwards_deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::set typedef void ( ::SireAnalysis::FEP::*set_function_type)( int,::SireAnalysis::FEPDeltas const & ) ; set_function_type set_function_value( &::SireAnalysis::FEP::set ); FEP_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("deltas") ) , "Set the deltas for the ith iteration" ); } { //::SireAnalysis::FEP::size typedef int ( ::SireAnalysis::FEP::*size_function_type)( ) const; size_function_type size_function_value( &::SireAnalysis::FEP::size ); FEP_exposer.def( "size" , size_function_value , "Return the number of iterations" ); } { //::SireAnalysis::FEP::toString typedef ::QString ( ::SireAnalysis::FEP::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireAnalysis::FEP::toString ); FEP_exposer.def( "toString" , toString_function_value , "" ); } { //::SireAnalysis::FEP::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::FEP::typeName ); FEP_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireAnalysis::FEP::what typedef char const * ( ::SireAnalysis::FEP::*what_function_type)( ) const; what_function_type what_function_value( &::SireAnalysis::FEP::what ); FEP_exposer.def( "what" , what_function_value , "" ); } { //::SireAnalysis::FEP::windows typedef ::QList< double > ( ::SireAnalysis::FEP::*windows_function_type)( ) const; windows_function_type windows_function_value( &::SireAnalysis::FEP::windows ); FEP_exposer.def( "windows" , windows_function_value , "Return the value of all windows" ); } FEP_exposer.staticmethod( "typeName" ); FEP_exposer.def( "__copy__", &__copy__); FEP_exposer.def( "__deepcopy__", &__copy__); FEP_exposer.def( "clone", &__copy__); FEP_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireAnalysis::FEP >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FEP_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireAnalysis::FEP >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); FEP_exposer.def( "__str__", &__str__< ::SireAnalysis::FEP > ); FEP_exposer.def( "__repr__", &__str__< ::SireAnalysis::FEP > ); FEP_exposer.def( "__len__", &__len_size< ::SireAnalysis::FEP > ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例9: register_DistanceRestraint_class//.........这里部分代码省略......... "point1" , point1_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the second point" ); } { //::SireMM::DistanceRestraint::r typedef ::SireCAS::Symbol const & ( *r_function_type )( ); r_function_type r_function_value( &::SireMM::DistanceRestraint::r ); DistanceRestraint_exposer.def( "r" , r_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the distance between the/ntwo points (r)" ); } { //::SireMM::DistanceRestraint::setSpace typedef void ( ::SireMM::DistanceRestraint::*setSpace_function_type)( ::SireVol::Space const & ) ; setSpace_function_type setSpace_function_value( &::SireMM::DistanceRestraint::setSpace ); DistanceRestraint_exposer.def( "setSpace" , setSpace_function_value , ( bp::arg("space") ) , "Set the space used to evaluate the energy of this restraint/nThrow: SireVol::incompatible_space/n" ); } { //::SireMM::DistanceRestraint::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::DistanceRestraint::typeName ); DistanceRestraint_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMM::DistanceRestraint::update typedef void ( ::SireMM::DistanceRestraint::*update_function_type)( ::SireMol::MoleculeData const & ) ; update_function_type update_function_value( &::SireMM::DistanceRestraint::update ); DistanceRestraint_exposer.def( "update" , update_function_value , ( bp::arg("moldata") ) , "Update the points of this restraint using new molecule data from moldata/nThrow: SireBase::missing_property/nThrow: SireError::invalid_cast/nThrow: SireError::incompatible_error/n" ); } { //::SireMM::DistanceRestraint::update typedef void ( ::SireMM::DistanceRestraint::*update_function_type)( ::SireMol::Molecules const & ) ; update_function_type update_function_value( &::SireMM::DistanceRestraint::update ); DistanceRestraint_exposer.def( "update" , update_function_value , ( bp::arg("molecules") ) , "Update the points of this restraint using new molecule data from molecules/nThrow: SireBase::missing_property/nThrow: SireError::invalid_cast/nThrow: SireError::incompatible_error/n" ); } { //::SireMM::DistanceRestraint::usesMoleculesIn
开发者ID:Steboss,项目名称:Sire,代码行数:67,
示例10: register_ZmatrixMaker_classvoid register_ZmatrixMaker_class(){ { //::SireIO::ZmatrixMaker typedef bp::class_< SireIO::ZmatrixMaker > ZmatrixMaker_exposer_t; ZmatrixMaker_exposer_t ZmatrixMaker_exposer = ZmatrixMaker_exposer_t( "ZmatrixMaker", "This class is used to read templates describing how a residue can be moved using zmatrix moves/nand to create a zmatrix property for residues whose template is available./n/nAuthor: Julien Michel/n", bp::init< >("Default constructor") ); bp::scope ZmatrixMaker_scope( ZmatrixMaker_exposer ); { //::SireIO::ZmatrixMaker::applyTemplates typedef ::SireMol::Molecule ( ::SireIO::ZmatrixMaker::*applyTemplates_function_type)( ::SireMol::Molecule & ) ; applyTemplates_function_type applyTemplates_function_value( &::SireIO::ZmatrixMaker::applyTemplates ); ZmatrixMaker_exposer.def( "applyTemplates" , applyTemplates_function_value , ( bp::arg("molecule") ) , "Add the property z-matrix to molecule" ); } { //::SireIO::ZmatrixMaker::loadTemplates typedef void ( ::SireIO::ZmatrixMaker::*loadTemplates_function_type)( ::QString const & ) ; loadTemplates_function_type loadTemplates_function_value( &::SireIO::ZmatrixMaker::loadTemplates ); ZmatrixMaker_exposer.def( "loadTemplates" , loadTemplates_function_value , ( bp::arg("templatesfile") ) , "Read the contents of an input file to create a set of ZmatrixResidues" ); } { //::SireIO::ZmatrixMaker::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireIO::ZmatrixMaker::typeName ); ZmatrixMaker_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireIO::ZmatrixMaker::what typedef char const * ( ::SireIO::ZmatrixMaker::*what_function_type)( ) const; what_function_type what_function_value( &::SireIO::ZmatrixMaker::what ); ZmatrixMaker_exposer.def( "what" , what_function_value , "" ); } ZmatrixMaker_exposer.staticmethod( "typeName" ); ZmatrixMaker_exposer.def( "__copy__", &__copy__); ZmatrixMaker_exposer.def( "__deepcopy__", &__copy__); ZmatrixMaker_exposer.def( "clone", &__copy__); ZmatrixMaker_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireIO::ZmatrixMaker >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ZmatrixMaker_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireIO::ZmatrixMaker >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ZmatrixMaker_exposer.def( "__str__", &pvt_get_name); ZmatrixMaker_exposer.def( "__repr__", &pvt_get_name); }}
开发者ID:Steboss,项目名称:Sire,代码行数:65,
示例11: register_ArcCsc_classvoid register_ArcCsc_class(){ { //::SireCAS::ArcCsc typedef bp::class_< SireCAS::ArcCsc, bp::bases< SireCAS::SingleFunc, SireCAS::ExBase > > ArcCsc_exposer_t; ArcCsc_exposer_t ArcCsc_exposer = ArcCsc_exposer_t( "ArcCsc", bp::init< >() ); bp::scope ArcCsc_scope( ArcCsc_exposer ); ArcCsc_exposer.def( bp::init< SireCAS::Expression const & >(( bp::arg("ex") )) ); ArcCsc_exposer.def( bp::init< SireCAS::ArcCsc const & >(( bp::arg("other") )) ); { //::SireCAS::ArcCsc::evaluate typedef double ( ::SireCAS::ArcCsc::*evaluate_function_type )( ::SireCAS::Values const & ) const; evaluate_function_type evaluate_function_value( &::SireCAS::ArcCsc::evaluate ); ArcCsc_exposer.def( "evaluate" , evaluate_function_value , ( bp::arg("values") ) ); } { //::SireCAS::ArcCsc::evaluate typedef ::SireMaths::Complex ( ::SireCAS::ArcCsc::*evaluate_function_type )( ::SireCAS::ComplexValues const & ) const; evaluate_function_type evaluate_function_value( &::SireCAS::ArcCsc::evaluate ); ArcCsc_exposer.def( "evaluate" , evaluate_function_value , ( bp::arg("values") ) ); } ArcCsc_exposer.def( bp::self == bp::other< SireCAS::ExBase >() ); { //::SireCAS::ArcCsc::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireCAS::ArcCsc::typeName ); ArcCsc_exposer.def( "typeName" , typeName_function_value ); } { //::SireCAS::ArcCsc::what typedef char const * ( ::SireCAS::ArcCsc::*what_function_type )( ) const; what_function_type what_function_value( &::SireCAS::ArcCsc::what ); ArcCsc_exposer.def( "what" , what_function_value ); } ArcCsc_exposer.staticmethod( "typeName" ); ArcCsc_exposer.def( "__copy__", &__copy__); ArcCsc_exposer.def( "__deepcopy__", &__copy__); ArcCsc_exposer.def( "clone", &__copy__); ArcCsc_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireCAS::ArcCsc >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ArcCsc_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireCAS::ArcCsc >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); ArcCsc_exposer.def( "__str__", &__str__< ::SireCAS::ArcCsc > ); ArcCsc_exposer.def( "__repr__", &__str__< ::SireCAS::ArcCsc > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:64,
示例12: register_GreaterOrEqualThan_classvoid register_GreaterOrEqualThan_class(){ { //::SireCAS::GreaterOrEqualThan typedef bp::class_< SireCAS::GreaterOrEqualThan, bp::bases< SireCAS::Condition, SireCAS::ExBase > > GreaterOrEqualThan_exposer_t; GreaterOrEqualThan_exposer_t GreaterOrEqualThan_exposer = GreaterOrEqualThan_exposer_t( "GreaterOrEqualThan", "This is a conditional function that returns whether or/nnot the first expression is greater than or equal to/nthe second expression/n/nAuthor: Christopher Woods/n", bp::init< >("Constructor") ); bp::scope GreaterOrEqualThan_scope( GreaterOrEqualThan_exposer ); GreaterOrEqualThan_exposer.def( bp::init< SireCAS::Expression const &, SireCAS::Expression const & >(( bp::arg("left_hand_side"), bp::arg("right_hand_side") ), "Construct to compare left_hand_side with right_hand_side") ); GreaterOrEqualThan_exposer.def( bp::init< SireCAS::GreaterOrEqualThan const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireCAS::GreaterOrEqualThan::alwaysFalse typedef bool ( ::SireCAS::GreaterOrEqualThan::*alwaysFalse_function_type)( ) const; alwaysFalse_function_type alwaysFalse_function_value( &::SireCAS::GreaterOrEqualThan::alwaysFalse ); GreaterOrEqualThan_exposer.def( "alwaysFalse" , alwaysFalse_function_value , "Return whether or not we can be absolutely sure that this/ncondition will always be false. Note that this doesnt try/ntoo hard, so some things that are always false may not/nbe reported here as being always false, e.g. x > x + 1" ); } { //::SireCAS::GreaterOrEqualThan::alwaysTrue typedef bool ( ::SireCAS::GreaterOrEqualThan::*alwaysTrue_function_type)( ) const; alwaysTrue_function_type alwaysTrue_function_value( &::SireCAS::GreaterOrEqualThan::alwaysTrue ); GreaterOrEqualThan_exposer.def( "alwaysTrue" , alwaysTrue_function_value , "Return whether or not we can be absolutely sure that this/ncondition will always be true. Note that this doesnt try/ntoo hard, so some things that are always true may not/nbe reported here as being always true, e.g. x + 1 > x" ); } { //::SireCAS::GreaterOrEqualThan::operator= typedef ::SireCAS::GreaterOrEqualThan & ( ::SireCAS::GreaterOrEqualThan::*assign_function_type)( ::SireCAS::GreaterOrEqualThan const & ) ; assign_function_type assign_function_value( &::SireCAS::GreaterOrEqualThan::operator= ); GreaterOrEqualThan_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } GreaterOrEqualThan_exposer.def( bp::self == bp::self ); GreaterOrEqualThan_exposer.def( bp::self == bp::other< SireCAS::ExBase >() ); { //::SireCAS::GreaterOrEqualThan::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireCAS::GreaterOrEqualThan::typeName ); GreaterOrEqualThan_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireCAS::GreaterOrEqualThan::what typedef char const * ( ::SireCAS::GreaterOrEqualThan::*what_function_type)( ) const; what_function_type what_function_value( &::SireCAS::GreaterOrEqualThan::what ); GreaterOrEqualThan_exposer.def( "what" , what_function_value , "" ); } GreaterOrEqualThan_exposer.staticmethod( "typeName" ); GreaterOrEqualThan_exposer.def( "__copy__", &__copy__); GreaterOrEqualThan_exposer.def( "__deepcopy__", &__copy__); GreaterOrEqualThan_exposer.def( "clone", &__copy__); GreaterOrEqualThan_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireCAS::GreaterOrEqualThan >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); GreaterOrEqualThan_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireCAS::GreaterOrEqualThan >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); GreaterOrEqualThan_exposer.def( "__str__", &__str__< ::SireCAS::GreaterOrEqualThan > ); GreaterOrEqualThan_exposer.def( "__repr__", &__str__< ::SireCAS::GreaterOrEqualThan > ); GreaterOrEqualThan_exposer.def( "__hash__", &::SireCAS::GreaterOrEqualThan::hash ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:81,
示例13: register_AABox_class//.........这里部分代码省略......... , recalculate_function_value , ( bp::arg("cgarray") ) , "Recalculate the AABox so that it completely encloses the CoordGroups/nin the array cgarray" ); } { //::SireVol::AABox::recalculate typedef void ( ::SireVol::AABox::*recalculate_function_type)( ::SireVol::CoordGroupArrayArray const & ) ; recalculate_function_type recalculate_function_value( &::SireVol::AABox::recalculate ); AABox_exposer.def( "recalculate" , recalculate_function_value , ( bp::arg("cgarrays") ) , "Recalculate the AABox so that it completely encloses the CoordGroups/nin the arrays cgarrays" ); } { //::SireVol::AABox::recalculate typedef void ( ::SireVol::AABox::*recalculate_function_type)( ::QVector< SireMaths::Vector > const & ) ; recalculate_function_type recalculate_function_value( &::SireVol::AABox::recalculate ); AABox_exposer.def( "recalculate" , recalculate_function_value , ( bp::arg("coordinates") ) , "Recalculate the AABox so that it completely encloses the coordinates" ); } { //::SireVol::AABox::toString typedef ::QString ( ::SireVol::AABox::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireVol::AABox::toString ); AABox_exposer.def( "toString" , toString_function_value , "Return a string representation of this AABox" ); } { //::SireVol::AABox::translate typedef void ( ::SireVol::AABox::*translate_function_type)( ::SireMaths::Vector const & ) ; translate_function_type translate_function_value( &::SireVol::AABox::translate ); AABox_exposer.def( "translate" , translate_function_value , ( bp::arg("delta") ) , "Translate this AABox by delta" ); } { //::SireVol::AABox::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireVol::AABox::typeName ); AABox_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireVol::AABox::what typedef char const * ( ::SireVol::AABox::*what_function_type)( ) const; what_function_type what_function_value( &::SireVol::AABox::what ); AABox_exposer.def( "what" , what_function_value , "" ); } { //::SireVol::AABox::withinDistance typedef bool ( ::SireVol::AABox::*withinDistance_function_type)( double,::SireVol::AABox const & ) const; withinDistance_function_type withinDistance_function_value( &::SireVol::AABox::withinDistance ); AABox_exposer.def( "withinDistance" , withinDistance_function_value , ( bp::arg("dist"), bp::arg("box") ) , "Return whether or not this box is within dist of box box./n(using infinite cartesian axes)" ); } AABox_exposer.staticmethod( "from" ); AABox_exposer.staticmethod( "typeName" ); AABox_exposer.def( "__copy__", &__copy__); AABox_exposer.def( "__deepcopy__", &__copy__); AABox_exposer.def( "clone", &__copy__); AABox_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireVol::AABox >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AABox_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireVol::AABox >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AABox_exposer.def( "__str__", &__str__< ::SireVol::AABox > ); AABox_exposer.def( "__repr__", &__str__< ::SireVol::AABox > ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例14: register_PropertyList_class//.........这里部分代码省略......... , takeAt_function_value , ( bp::arg("i") ) ); } { //::SireBase::PropertyList::takeFirst typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*takeFirst_function_type )( ) ; takeFirst_function_type takeFirst_function_value( &::SireBase::PropertyList::takeFirst ); PropertyList_exposer.def( "takeFirst" , takeFirst_function_value ); } { //::SireBase::PropertyList::takeLast typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*takeLast_function_type )( ) ; takeLast_function_type takeLast_function_value( &::SireBase::PropertyList::takeLast ); PropertyList_exposer.def( "takeLast" , takeLast_function_value ); } { //::SireBase::PropertyList::toList typedef ::QList< SireBase::PropPtr< SireBase::Property > > ( ::SireBase::PropertyList::*toList_function_type )( ) const; toList_function_type toList_function_value( &::SireBase::PropertyList::toList ); PropertyList_exposer.def( "toList" , toList_function_value ); } { //::SireBase::PropertyList::toString typedef ::QString ( ::SireBase::PropertyList::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireBase::PropertyList::toString ); PropertyList_exposer.def( "toString" , toString_function_value ); } { //::SireBase::PropertyList::toVector typedef ::QVector< SireBase::PropPtr< SireBase::Property > > ( ::SireBase::PropertyList::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireBase::PropertyList::toVector ); PropertyList_exposer.def( "toVector" , toVector_function_value ); } { //::SireBase::PropertyList::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireBase::PropertyList::typeName ); PropertyList_exposer.def( "typeName" , typeName_function_value ); } { //::SireBase::PropertyList::value typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*value_function_type )( int ) const; value_function_type value_function_value( &::SireBase::PropertyList::value ); PropertyList_exposer.def( "value" , value_function_value , ( bp::arg("i") ) ); } { //::SireBase::PropertyList::value typedef ::SireBase::PropertyPtr ( ::SireBase::PropertyList::*value_function_type )( int,::SireBase::Property const & ) const; value_function_type value_function_value( &::SireBase::PropertyList::value ); PropertyList_exposer.def( "value" , value_function_value , ( bp::arg("i"), bp::arg("default_value") ) ); } PropertyList_exposer.staticmethod( "typeName" ); PropertyList_exposer.def( "__copy__", &__copy__); PropertyList_exposer.def( "__deepcopy__", &__copy__); PropertyList_exposer.def( "clone", &__copy__); PropertyList_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireBase::PropertyList >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PropertyList_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireBase::PropertyList >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PropertyList_exposer.def( "__str__", &__str__< ::SireBase::PropertyList > ); PropertyList_exposer.def( "__repr__", &__str__< ::SireBase::PropertyList > ); PropertyList_exposer.def( "__len__", &__len_size< ::SireBase::PropertyList > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例15: register_QMComponent_classvoid register_QMComponent_class(){ { //::Squire::QMComponent typedef bp::class_< Squire::QMComponent, bp::bases< SireFF::FFComponent, SireCAS::Symbol, SireCAS::ExBase > > QMComponent_exposer_t; QMComponent_exposer_t QMComponent_exposer = QMComponent_exposer_t( "QMComponent", "This class represents a QM energy", bp::init< bp::optional< SireFF::FFName const & > >(( bp::arg("ffname")=SireFF::FFName() ), "Constructor for the forcefield called ffname") ); bp::scope QMComponent_scope( QMComponent_exposer ); QMComponent_exposer.def( bp::init< SireCAS::Symbol const & >(( bp::arg("symbol") ), "Construct from a symbol/nThrow: SireError::incompatible_error/n") ); QMComponent_exposer.def( bp::init< Squire::QMComponent const & >(( bp::arg("other") ), "Copy constructor") ); { //::Squire::QMComponent::changeEnergy typedef void ( ::Squire::QMComponent::*changeEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const; changeEnergy_function_type changeEnergy_function_value( &::Squire::QMComponent::changeEnergy ); QMComponent_exposer.def( "changeEnergy" , changeEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) , "Change the QM component of the energy in the forcefield ff/nby delta" ); } { //::Squire::QMComponent::setEnergy typedef void ( ::Squire::QMComponent::*setEnergy_function_type)( ::SireFF::FF &,::Squire::QMEnergy const & ) const; setEnergy_function_type setEnergy_function_value( &::Squire::QMComponent::setEnergy ); QMComponent_exposer.def( "setEnergy" , setEnergy_function_value , ( bp::arg("ff"), bp::arg("qmnrg") ) , "Set the QM component of the energy in the forcefield ff/nto equal to the passed QMEnergy" ); } { //::Squire::QMComponent::symbols typedef ::SireCAS::Symbols ( ::Squire::QMComponent::*symbols_function_type)( ) const; symbols_function_type symbols_function_value( &::Squire::QMComponent::symbols ); QMComponent_exposer.def( "symbols" , symbols_function_value , "" ); } { //::Squire::QMComponent::total typedef ::Squire::QMComponent const & ( ::Squire::QMComponent::*total_function_type)( ) const; total_function_type total_function_value( &::Squire::QMComponent::total ); QMComponent_exposer.def( "total" , total_function_value , bp::return_value_policy<bp::clone_const_reference>() , "" ); } { //::Squire::QMComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::QMComponent::typeName ); QMComponent_exposer.def( "typeName" , typeName_function_value , "" ); } { //::Squire::QMComponent::what typedef char const * ( ::Squire::QMComponent::*what_function_type)( ) const; what_function_type what_function_value( &::Squire::QMComponent::what ); QMComponent_exposer.def( "what" , what_function_value , "" ); } QMComponent_exposer.staticmethod( "typeName" ); QMComponent_exposer.def( "__copy__", &__copy__); QMComponent_exposer.def( "__deepcopy__", &__copy__); QMComponent_exposer.def( "clone", &__copy__); QMComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::QMComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); QMComponent_exposer.def( "__str__", &__str__< ::Squire::QMComponent > ); QMComponent_exposer.def( "__repr__", &__str__< ::Squire::QMComponent > ); QMComponent_exposer.def( "__hash__", &::Squire::QMComponent::hash ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:91,
示例16: register_Tinker_classvoid register_Tinker_class(){ { //::SireIO::Tinker typedef bp::class_< SireIO::Tinker, bp::bases< SireIO::IOBase, SireBase::Property > > Tinker_exposer_t; Tinker_exposer_t Tinker_exposer = Tinker_exposer_t( "Tinker", "This class is used to read and write files in Tinker format/n/nAuthor: Christopher Woods/n", bp::init< >("Constructor") ); bp::scope Tinker_scope( Tinker_exposer ); Tinker_exposer.def( bp::init< SireIO::Tinker const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireIO::Tinker::loadParameters typedef void ( ::SireIO::Tinker::*loadParameters_function_type)( ::QString const & ) ; loadParameters_function_type loadParameters_function_value( &::SireIO::Tinker::loadParameters ); Tinker_exposer.def( "loadParameters" , loadParameters_function_value , ( bp::arg("prmfile") ) , "Load the parameter file prmfile into this reader. This will allow/nthe reader to parameterise the molecules as they are being read" ); } Tinker_exposer.def( bp::self != bp::self ); { //::SireIO::Tinker::operator= typedef ::SireIO::Tinker & ( ::SireIO::Tinker::*assign_function_type)( ::SireIO::Tinker const & ) ; assign_function_type assign_function_value( &::SireIO::Tinker::operator= ); Tinker_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } Tinker_exposer.def( bp::self == bp::self ); { //::SireIO::Tinker::parameters typedef ::SireIO::TinkerParameters const & ( *parameters_function_type )( ); parameters_function_type parameters_function_value( &::SireIO::Tinker::parameters ); Tinker_exposer.def( "parameters" , parameters_function_value , bp::return_value_policy< bp::copy_const_reference >() , "Return the default parameters used by this IO object" ); } { //::SireIO::Tinker::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireIO::Tinker::typeName ); Tinker_exposer.def( "typeName" , typeName_function_value , "" ); } Tinker_exposer.staticmethod( "parameters" ); Tinker_exposer.staticmethod( "typeName" ); Tinker_exposer.def( "__copy__", &__copy__); Tinker_exposer.def( "__deepcopy__", &__copy__); Tinker_exposer.def( "clone", &__copy__); Tinker_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireIO::Tinker >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Tinker_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireIO::Tinker >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Tinker_exposer.def( "__str__", &__str__< ::SireIO::Tinker > ); Tinker_exposer.def( "__repr__", &__str__< ::SireIO::Tinker > ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:71,
示例17: register_PolariseChargesFF_classvoid register_PolariseChargesFF_class(){ { //::SireSystem::PolariseChargesFF typedef bp::class_< SireSystem::PolariseChargesFF, bp::bases< SireFF::G1FF, SireFF::FF, SireMol::MolGroupsBase, SireBase::Property > > PolariseChargesFF_exposer_t; PolariseChargesFF_exposer_t PolariseChargesFF_exposer = PolariseChargesFF_exposer_t( "PolariseChargesFF", bp::init< >() ); bp::scope PolariseChargesFF_scope( PolariseChargesFF_exposer ); PolariseChargesFF_exposer.def( bp::init< SireSystem::PolariseCharges const & >(( bp::arg("constraint") )) ); PolariseChargesFF_exposer.def( bp::init< QString const &, SireSystem::PolariseCharges const & >(( bp::arg("name"), bp::arg("constraint") )) ); PolariseChargesFF_exposer.def( bp::init< SireSystem::PolariseChargesFF const & >(( bp::arg("other") )) ); { //::SireSystem::PolariseChargesFF::components typedef ::SireFF::SingleComponent const & ( ::SireSystem::PolariseChargesFF::*components_function_type )( ) const; components_function_type components_function_value( &::SireSystem::PolariseChargesFF::components ); PolariseChargesFF_exposer.def( "components" , components_function_value , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireSystem::PolariseChargesFF::containsProperty typedef bool ( ::SireSystem::PolariseChargesFF::*containsProperty_function_type )( ::QString const & ) const; containsProperty_function_type containsProperty_function_value( &::SireSystem::PolariseChargesFF::containsProperty ); PolariseChargesFF_exposer.def( "containsProperty" , containsProperty_function_value , ( bp::arg("name") ) ); } { //::SireSystem::PolariseChargesFF::mustNowRecalculateFromScratch typedef void ( ::SireSystem::PolariseChargesFF::*mustNowRecalculateFromScratch_function_type )( ) ; mustNowRecalculateFromScratch_function_type mustNowRecalculateFromScratch_function_value( &::SireSystem::PolariseChargesFF::mustNowRecalculateFromScratch ); PolariseChargesFF_exposer.def( "mustNowRecalculateFromScratch" , mustNowRecalculateFromScratch_function_value ); } PolariseChargesFF_exposer.def( bp::self != bp::self ); { //::SireSystem::PolariseChargesFF::operator= typedef ::SireSystem::PolariseChargesFF & ( ::SireSystem::PolariseChargesFF::*assign_function_type )( ::SireSystem::PolariseChargesFF const & ) ; assign_function_type assign_function_value( &::SireSystem::PolariseChargesFF::operator= ); PolariseChargesFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } PolariseChargesFF_exposer.def( bp::self == bp::self ); { //::SireSystem::PolariseChargesFF::properties typedef ::SireBase::Properties const & ( ::SireSystem::PolariseChargesFF::*properties_function_type )( ) const; properties_function_type properties_function_value( &::SireSystem::PolariseChargesFF::properties ); PolariseChargesFF_exposer.def( "properties" , properties_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireSystem::PolariseChargesFF::property typedef ::SireBase::Property const & ( ::SireSystem::PolariseChargesFF::*property_function_type )( ::QString const & ) const; property_function_type property_function_value( &::SireSystem::PolariseChargesFF::property ); PolariseChargesFF_exposer.def( "property" , property_function_value , ( bp::arg("name") ) , bp::return_value_policy<bp::clone_const_reference>() ); } { //::SireSystem::PolariseChargesFF::setProperty typedef bool ( ::SireSystem::PolariseChargesFF::*setProperty_function_type )( ::QString const &,::SireBase::Property const & ) ; setProperty_function_type setProperty_function_value( &::SireSystem::PolariseChargesFF::setProperty ); PolariseChargesFF_exposer.def( "setProperty" , setProperty_function_value , ( bp::arg("name"), bp::arg("property") ) ); } { //::SireSystem::PolariseChargesFF::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::PolariseChargesFF::typeName ); PolariseChargesFF_exposer.def( "typeName" , typeName_function_value ); } PolariseChargesFF_exposer.staticmethod( "typeName" );//.........这里部分代码省略.........
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例18: register_BoxPatching_class//.........这里部分代码省略......... , ( bp::arg("i") ) ); } { //::SireVol::BoxPatching::patchBox typedef ::SireVol::AABox ( ::SireVol::BoxPatching::*patchBox_function_type )( ::SireMaths::Vector const & ) const; patchBox_function_type patchBox_function_value( &::SireVol::BoxPatching::patchBox ); BoxPatching_exposer.def( "patchBox" , patchBox_function_value , ( bp::arg("point") ) ); } { //::SireVol::BoxPatching::patchDimension typedef ::SireMaths::Vector ( ::SireVol::BoxPatching::*patchDimension_function_type )( ) const; patchDimension_function_type patchDimension_function_value( &::SireVol::BoxPatching::patchDimension ); BoxPatching_exposer.def( "patchDimension" , patchDimension_function_value ); } { //::SireVol::BoxPatching::patchIndex typedef int ( ::SireVol::BoxPatching::*patchIndex_function_type )( ::SireMaths::Vector const & ) const; patchIndex_function_type patchIndex_function_value( &::SireVol::BoxPatching::patchIndex ); BoxPatching_exposer.def( "patchIndex" , patchIndex_function_value , ( bp::arg("point") ) ); } { //::SireVol::BoxPatching::patchIndexAndCenter typedef ::QPair< int, SireMaths::Vector > ( ::SireVol::BoxPatching::*patchIndexAndCenter_function_type )( ::SireMaths::Vector const & ) const; patchIndexAndCenter_function_type patchIndexAndCenter_function_value( &::SireVol::BoxPatching::patchIndexAndCenter ); BoxPatching_exposer.def( "patchIndexAndCenter" , patchIndexAndCenter_function_value , ( bp::arg("point") ) ); } { //::SireVol::BoxPatching::patchSize typedef ::SireUnits::Dimension::Length ( ::SireVol::BoxPatching::*patchSize_function_type )( ) const; patchSize_function_type patchSize_function_value( &::SireVol::BoxPatching::patchSize ); BoxPatching_exposer.def( "patchSize" , patchSize_function_value ); } { //::SireVol::BoxPatching::repatch typedef ::SireVol::PatchingPtr ( ::SireVol::BoxPatching::*repatch_function_type )( ::SireVol::Space const & ) const; repatch_function_type repatch_function_value( &::SireVol::BoxPatching::repatch ); BoxPatching_exposer.def( "repatch" , repatch_function_value , ( bp::arg("new_space") ) ); } { //::SireVol::BoxPatching::toString typedef ::QString ( ::SireVol::BoxPatching::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireVol::BoxPatching::toString ); BoxPatching_exposer.def( "toString" , toString_function_value ); } { //::SireVol::BoxPatching::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireVol::BoxPatching::typeName ); BoxPatching_exposer.def( "typeName" , typeName_function_value ); } BoxPatching_exposer.staticmethod( "typeName" ); BoxPatching_exposer.def( "__copy__", &__copy__); BoxPatching_exposer.def( "__deepcopy__", &__copy__); BoxPatching_exposer.def( "clone", &__copy__); BoxPatching_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireVol::BoxPatching >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); BoxPatching_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireVol::BoxPatching >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); BoxPatching_exposer.def( "__str__", &__str__< ::SireVol::BoxPatching > ); BoxPatching_exposer.def( "__repr__", &__str__< ::SireVol::BoxPatching > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例19: register_PP_GTO_class//.........这里部分代码省略......... } { //::Squire::PP_GTO::Q_minus_D typedef ::SireMaths::Vector const & ( ::Squire::PP_GTO::*Q_minus_D_function_type )( ) const; Q_minus_D_function_type Q_minus_D_function_value( &::Squire::PP_GTO::Q_minus_D ); PP_GTO_exposer.def( "Q_minus_D" , Q_minus_D_function_value , bp::return_value_policy< bp::copy_const_reference >() ); } { //::Squire::PP_GTO::angularMomentum0 typedef int ( ::Squire::PP_GTO::*angularMomentum0_function_type )( ) const; angularMomentum0_function_type angularMomentum0_function_value( &::Squire::PP_GTO::angularMomentum0 ); PP_GTO_exposer.def( "angularMomentum0" , angularMomentum0_function_value ); } { //::Squire::PP_GTO::angularMomentum1 typedef int ( ::Squire::PP_GTO::*angularMomentum1_function_type )( ) const; angularMomentum1_function_type angularMomentum1_function_value( &::Squire::PP_GTO::angularMomentum1 ); PP_GTO_exposer.def( "angularMomentum1" , angularMomentum1_function_value ); } { //::Squire::PP_GTO::nOrbitals0 typedef int ( ::Squire::PP_GTO::*nOrbitals0_function_type )( ) const; nOrbitals0_function_type nOrbitals0_function_value( &::Squire::PP_GTO::nOrbitals0 ); PP_GTO_exposer.def( "nOrbitals0" , nOrbitals0_function_value ); } { //::Squire::PP_GTO::nOrbitals1 typedef int ( ::Squire::PP_GTO::*nOrbitals1_function_type )( ) const; nOrbitals1_function_type nOrbitals1_function_value( &::Squire::PP_GTO::nOrbitals1 ); PP_GTO_exposer.def( "nOrbitals1" , nOrbitals1_function_value ); } PP_GTO_exposer.def( bp::self != bp::self ); { //::Squire::PP_GTO::operator= typedef ::Squire::PP_GTO & ( ::Squire::PP_GTO::*assign_function_type )( ::Squire::PP_GTO const & ) ; assign_function_type assign_function_value( &::Squire::PP_GTO::operator= ); PP_GTO_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } PP_GTO_exposer.def( bp::self == bp::self ); { //::Squire::PP_GTO::scale typedef double ( ::Squire::PP_GTO::*scale_function_type )( ) const; scale_function_type scale_function_value( &::Squire::PP_GTO::scale ); PP_GTO_exposer.def( "scale" , scale_function_value ); } { //::Squire::PP_GTO::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::Squire::PP_GTO::typeName ); PP_GTO_exposer.def( "typeName" , typeName_function_value ); } PP_GTO_exposer.staticmethod( "typeName" ); PP_GTO_exposer.def( "__copy__", &__copy__); PP_GTO_exposer.def( "__deepcopy__", &__copy__); PP_GTO_exposer.def( "clone", &__copy__); PP_GTO_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::Squire::PP_GTO >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PP_GTO_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::Squire::PP_GTO >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); PP_GTO_exposer.def( "__str__", &__str__< ::Squire::PP_GTO > ); PP_GTO_exposer.def( "__repr__", &__str__< ::Squire::PP_GTO > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例20: register_MolPotentialTable_class//.........这里部分代码省略......... } { //::SireFF::MolPotentialTable::subtract typedef bool ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireMol::CGAtomIdx const &,::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("cgatomidx"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::subtract typedef bool ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireMol::AtomSelection const &,::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("selected_atoms"), bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::subtract typedef void ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireFF::MolPotentialTable const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("other") ) ); } { //::SireFF::MolPotentialTable::subtract typedef void ( ::SireFF::MolPotentialTable::*subtract_function_type )( ::SireUnits::Dimension::MolarEnergy const & ) ; subtract_function_type subtract_function_value( &::SireFF::MolPotentialTable::subtract ); MolPotentialTable_exposer.def( "subtract" , subtract_function_value , ( bp::arg("potential") ) ); } { //::SireFF::MolPotentialTable::toVector typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::MolPotentialTable::*toVector_function_type )( ) const; toVector_function_type toVector_function_value( &::SireFF::MolPotentialTable::toVector ); MolPotentialTable_exposer.def( "toVector" , toVector_function_value ); } { //::SireFF::MolPotentialTable::toVector typedef ::QVector< SireUnits::Dimension::PhysUnit< 1, 2, -2, 0, 0, -1, 0 > > ( ::SireFF::MolPotentialTable::*toVector_function_type )( ::SireMol::AtomSelection const & ) const; toVector_function_type toVector_function_value( &::SireFF::MolPotentialTable::toVector ); MolPotentialTable_exposer.def( "toVector" , toVector_function_value , ( bp::arg("selection") ) ); } { //::SireFF::MolPotentialTable::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::MolPotentialTable::typeName ); MolPotentialTable_exposer.def( "typeName" , typeName_function_value ); } { //::SireFF::MolPotentialTable::what typedef char const * ( ::SireFF::MolPotentialTable::*what_function_type )( ) const; what_function_type what_function_value( &::SireFF::MolPotentialTable::what ); MolPotentialTable_exposer.def( "what" , what_function_value ); } MolPotentialTable_exposer.staticmethod( "typeName" ); MolPotentialTable_exposer.def( "__copy__", &__copy__); MolPotentialTable_exposer.def( "__deepcopy__", &__copy__); MolPotentialTable_exposer.def( "clone", &__copy__); MolPotentialTable_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireFF::MolPotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolPotentialTable_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireFF::MolPotentialTable >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); MolPotentialTable_exposer.def( "__str__", &__str__< ::SireFF::MolPotentialTable > ); MolPotentialTable_exposer.def( "__repr__", &__str__< ::SireFF::MolPotentialTable > ); MolPotentialTable_exposer.def( "__len__", &__len_size< ::SireFF::MolPotentialTable > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例21: register_DataPoint_class//.........这里部分代码省略......... , hasYErrorRange_function_value , "Return whether or not there is an error range on the x value" ); } DataPoint_exposer.def( bp::self != bp::self ); { //::SireAnalysis::DataPoint::operator= typedef ::SireAnalysis::DataPoint & ( ::SireAnalysis::DataPoint::*assign_function_type)( ::SireAnalysis::DataPoint const & ) ; assign_function_type assign_function_value( &::SireAnalysis::DataPoint::operator= ); DataPoint_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } DataPoint_exposer.def( bp::self == bp::self ); { //::SireAnalysis::DataPoint::toString typedef ::QString ( ::SireAnalysis::DataPoint::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireAnalysis::DataPoint::toString ); DataPoint_exposer.def( "toString" , toString_function_value , "" ); } { //::SireAnalysis::DataPoint::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireAnalysis::DataPoint::typeName ); DataPoint_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireAnalysis::DataPoint::what typedef char const * ( ::SireAnalysis::DataPoint::*what_function_type)( ) const; what_function_type what_function_value( &::SireAnalysis::DataPoint::what ); DataPoint_exposer.def( "what" , what_function_value , "" ); } { //::SireAnalysis::DataPoint::x typedef double ( ::SireAnalysis::DataPoint::*x_function_type)( ) const; x_function_type x_function_value( &::SireAnalysis::DataPoint::x ); DataPoint_exposer.def( "x" , x_function_value , "Return the x value of the point" ); } { //::SireAnalysis::DataPoint::xError typedef double ( ::SireAnalysis::DataPoint::*xError_function_type)( ) const;
开发者ID:Steboss,项目名称:Sire,代码行数:67,
示例22: register_Specify_SysID__class//.........这里部分代码省略......... Specify_SysID__exposer.def( "__call__" , __call___function_value , ( bp::arg("i") ) , "" ); } { //::SireID::Specify< SireSystem::SysID >::operator() typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef ::SireID::Specify< SireSystem::SysID > ( ::SireID::Specify< SireSystem::SysID >::*__call___function_type)( int,int ) const; __call___function_type __call___function_value( &::SireID::Specify< SireSystem::SysID >::operator() ); Specify_SysID__exposer.def( "__call__" , __call___function_value , ( bp::arg("i"), bp::arg("j") ) , "" ); } { //::SireID::Specify< SireSystem::SysID >::operator= typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef ::SireID::Specify< SireSystem::SysID > & ( ::SireID::Specify< SireSystem::SysID >::*assign_function_type)( ::SireID::Specify< SireSystem::SysID > const & ) ; assign_function_type assign_function_value( &::SireID::Specify< SireSystem::SysID >::operator= ); Specify_SysID__exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } Specify_SysID__exposer.def( bp::self == bp::self ); Specify_SysID__exposer.def( bp::self == bp::other< SireID::ID >() ); { //::SireID::Specify< SireSystem::SysID >::operator[] typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef ::SireID::Specify< SireSystem::SysID > ( ::SireID::Specify< SireSystem::SysID >::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireID::Specify< SireSystem::SysID >::operator[] ); Specify_SysID__exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , "" ); } { //::SireID::Specify< SireSystem::SysID >::toString typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef ::QString ( ::SireID::Specify< SireSystem::SysID >::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireID::Specify< SireSystem::SysID >::toString ); Specify_SysID__exposer.def( "toString" , toString_function_value , "" ); } { //::SireID::Specify< SireSystem::SysID >::typeName typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireID::Specify< SireSystem::SysID >::typeName ); Specify_SysID__exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireID::Specify< SireSystem::SysID >::what typedef SireID::Specify< SireSystem::SysID > exported_class_t; typedef char const * ( ::SireID::Specify< SireSystem::SysID >::*what_function_type)( ) const; what_function_type what_function_value( &::SireID::Specify< SireSystem::SysID >::what ); Specify_SysID__exposer.def( "what" , what_function_value , "" ); } Specify_SysID__exposer.staticmethod( "typeName" ); Specify_SysID__exposer.def( "__copy__", &__copy__); Specify_SysID__exposer.def( "__deepcopy__", &__copy__); Specify_SysID__exposer.def( "clone", &__copy__); Specify_SysID__exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireID::Specify<SireSystem::SysID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Specify_SysID__exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireID::Specify<SireSystem::SysID> >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Specify_SysID__exposer.def( "__str__", &__str__< ::SireID::Specify<SireSystem::SysID> > ); Specify_SysID__exposer.def( "__repr__", &__str__< ::SireID::Specify<SireSystem::SysID> > ); Specify_SysID__exposer.def( "__hash__", &::SireID::Specify<SireSystem::SysID>::hash ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例23: register_CLJAtom_class//.........这里部分代码省略......... } { //::SireMM::CLJAtom::isDummy typedef bool ( ::SireMM::CLJAtom::*isDummy_function_type )( ) const; isDummy_function_type isDummy_function_value( &::SireMM::CLJAtom::isDummy ); CLJAtom_exposer.def( "isDummy" , isDummy_function_value ); } { //::SireMM::CLJAtom::isNull typedef bool ( ::SireMM::CLJAtom::*isNull_function_type )( ) const; isNull_function_type isNull_function_value( &::SireMM::CLJAtom::isNull ); CLJAtom_exposer.def( "isNull" , isNull_function_value ); } { //::SireMM::CLJAtom::ljParameter typedef ::SireMM::LJParameter ( ::SireMM::CLJAtom::*ljParameter_function_type )( ) const; ljParameter_function_type ljParameter_function_value( &::SireMM::CLJAtom::ljParameter ); CLJAtom_exposer.def( "ljParameter" , ljParameter_function_value ); } { //::SireMM::CLJAtom::negate typedef ::SireMM::CLJAtom ( ::SireMM::CLJAtom::*negate_function_type )( ) const; negate_function_type negate_function_value( &::SireMM::CLJAtom::negate ); CLJAtom_exposer.def( "negate" , negate_function_value ); } CLJAtom_exposer.def( bp::self != bp::self ); { //::SireMM::CLJAtom::operator= typedef ::SireMM::CLJAtom & ( ::SireMM::CLJAtom::*assign_function_type )( ::SireMM::CLJAtom const & ) ; assign_function_type assign_function_value( &::SireMM::CLJAtom::operator= ); CLJAtom_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJAtom_exposer.def( bp::self == bp::self ); { //::SireMM::CLJAtom::toString typedef ::QString ( ::SireMM::CLJAtom::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMM::CLJAtom::toString ); CLJAtom_exposer.def( "toString" , toString_function_value ); } { //::SireMM::CLJAtom::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJAtom::typeName ); CLJAtom_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::CLJAtom::what typedef char const * ( ::SireMM::CLJAtom::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::CLJAtom::what ); CLJAtom_exposer.def( "what" , what_function_value ); } CLJAtom_exposer.staticmethod( "buildFrom" ); CLJAtom_exposer.staticmethod( "typeName" ); CLJAtom_exposer.def( "__copy__", &__copy__); CLJAtom_exposer.def( "__deepcopy__", &__copy__); CLJAtom_exposer.def( "clone", &__copy__); CLJAtom_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJAtom >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJAtom_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJAtom >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJAtom_exposer.def( "__str__", &__str__< ::SireMM::CLJAtom > ); CLJAtom_exposer.def( "__repr__", &__str__< ::SireMM::CLJAtom > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例24: register_Replicas_class//.........这里部分代码省略......... typedef void ( ::SireMove::Replicas::*setSubSystem_function_type )( ::SireMove::SupraSubSystem const & ) ; setSubSystem_function_type setSubSystem_function_value( &::SireMove::Replicas::setSubSystem ); Replicas_exposer.def( "setSubSystem" , setSubSystem_function_value , ( bp::arg("subsystem") ) ); } { //::SireMove::Replicas::setSubSystem typedef void ( ::SireMove::Replicas::*setSubSystem_function_type )( int,::SireSystem::System const & ) ; setSubSystem_function_type setSubSystem_function_value( &::SireMove::Replicas::setSubSystem ); Replicas_exposer.def( "setSubSystem" , setSubSystem_function_value , ( bp::arg("i"), bp::arg("system") ) ); } { //::SireMove::Replicas::setSubSystem typedef void ( ::SireMove::Replicas::*setSubSystem_function_type )( int,::SireMove::SupraSubSystem const & ) ; setSubSystem_function_type setSubSystem_function_value( &::SireMove::Replicas::setSubSystem ); Replicas_exposer.def( "setSubSystem" , setSubSystem_function_value , ( bp::arg("i"), bp::arg("subsystem") ) ); } { //::SireMove::Replicas::setTemperature typedef void ( ::SireMove::Replicas::*setTemperature_function_type )( ::SireUnits::Dimension::Temperature const & ) ; setTemperature_function_type setTemperature_function_value( &::SireMove::Replicas::setTemperature ); Replicas_exposer.def( "setTemperature" , setTemperature_function_value , ( bp::arg("temperature") ) ); } { //::SireMove::Replicas::setTemperature typedef void ( ::SireMove::Replicas::*setTemperature_function_type )( int,::SireUnits::Dimension::Temperature const & ) ; setTemperature_function_type setTemperature_function_value( &::SireMove::Replicas::setTemperature ); Replicas_exposer.def( "setTemperature" , setTemperature_function_value , ( bp::arg("i"), bp::arg("temperature") ) ); } { //::SireMove::Replicas::swapMolecules typedef void ( ::SireMove::Replicas::*swapMolecules_function_type )( int,int ) ; swapMolecules_function_type swapMolecules_function_value( &::SireMove::Replicas::swapMolecules ); Replicas_exposer.def( "swapMolecules" , swapMolecules_function_value , ( bp::arg("i"), bp::arg("j") ) ); } { //::SireMove::Replicas::swapSystems typedef void ( ::SireMove::Replicas::*swapSystems_function_type )( int,int,bool ) ; swapSystems_function_type swapSystems_function_value( &::SireMove::Replicas::swapSystems ); Replicas_exposer.def( "swapSystems" , swapSystems_function_value , ( bp::arg("i"), bp::arg("j"), bp::arg("swap_monitors")=(bool)(true) ) ); } { //::SireMove::Replicas::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMove::Replicas::typeName ); Replicas_exposer.def( "typeName" , typeName_function_value ); } Replicas_exposer.staticmethod( "typeName" ); Replicas_exposer.def( "__copy__", &__copy__); Replicas_exposer.def( "__deepcopy__", &__copy__); Replicas_exposer.def( "clone", &__copy__); Replicas_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::Replicas >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Replicas_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::Replicas >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); Replicas_exposer.def( "__str__", &__str__< ::SireMove::Replicas > ); Replicas_exposer.def( "__repr__", &__str__< ::SireMove::Replicas > ); Replicas_exposer.def( "__len__", &__len_size< ::SireMove::Replicas > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例25: register_CLJSoftIntraShiftFunction_classvoid register_CLJSoftIntraShiftFunction_class(){ { //::SireMM::CLJSoftIntraShiftFunction typedef bp::class_< SireMM::CLJSoftIntraShiftFunction, bp::bases< SireMM::CLJSoftIntraFunction, SireMM::CLJIntraFunction, SireMM::CLJCutoffFunction, SireMM::CLJFunction, SireBase::Property > > CLJSoftIntraShiftFunction_exposer_t; CLJSoftIntraShiftFunction_exposer_t CLJSoftIntraShiftFunction_exposer = CLJSoftIntraShiftFunction_exposer_t( "CLJSoftIntraShiftFunction", bp::init< >() ); bp::scope CLJSoftIntraShiftFunction_scope( CLJSoftIntraShiftFunction_exposer ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireUnits::Dimension::Length >(( bp::arg("cutoff") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireUnits::Dimension::Length, SireUnits::Dimension::Length >(( bp::arg("coul_cutoff"), bp::arg("lj_cutoff") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireVol::Space const &, SireUnits::Dimension::Length >(( bp::arg("space"), bp::arg("cutoff") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireVol::Space const &, SireUnits::Dimension::Length, SireUnits::Dimension::Length >(( bp::arg("space"), bp::arg("coul_cutoff"), bp::arg("lj_cutoff") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireUnits::Dimension::Length, SireMM::CLJFunction::COMBINING_RULES >(( bp::arg("cutoff"), bp::arg("combining_rules") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireUnits::Dimension::Length, SireUnits::Dimension::Length, SireMM::CLJFunction::COMBINING_RULES >(( bp::arg("coul_cutoff"), bp::arg("lj_cutoff"), bp::arg("combining_rules") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireVol::Space const &, SireMM::CLJFunction::COMBINING_RULES >(( bp::arg("space"), bp::arg("combining_rules") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireVol::Space const &, SireUnits::Dimension::Length, SireMM::CLJFunction::COMBINING_RULES >(( bp::arg("space"), bp::arg("cutoff"), bp::arg("combining_rules") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireVol::Space const &, SireUnits::Dimension::Length, SireUnits::Dimension::Length, SireMM::CLJFunction::COMBINING_RULES >(( bp::arg("space"), bp::arg("coul_cutoff"), bp::arg("lj_cutoff"), bp::arg("combining_rules") )) ); CLJSoftIntraShiftFunction_exposer.def( bp::init< SireMM::CLJSoftIntraShiftFunction const & >(( bp::arg("other") )) ); { //::SireMM::CLJSoftIntraShiftFunction::defaultShiftFunction typedef ::SireMM::CLJFunctionPtr ( *defaultShiftFunction_function_type )( ); defaultShiftFunction_function_type defaultShiftFunction_function_value( &::SireMM::CLJSoftIntraShiftFunction::defaultShiftFunction ); CLJSoftIntraShiftFunction_exposer.def( "defaultShiftFunction" , defaultShiftFunction_function_value ); } CLJSoftIntraShiftFunction_exposer.def( bp::self != bp::self ); { //::SireMM::CLJSoftIntraShiftFunction::operator= typedef ::SireMM::CLJSoftIntraShiftFunction & ( ::SireMM::CLJSoftIntraShiftFunction::*assign_function_type )( ::SireMM::CLJSoftIntraShiftFunction const & ) ; assign_function_type assign_function_value( &::SireMM::CLJSoftIntraShiftFunction::operator= ); CLJSoftIntraShiftFunction_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } CLJSoftIntraShiftFunction_exposer.def( bp::self == bp::self ); { //::SireMM::CLJSoftIntraShiftFunction::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMM::CLJSoftIntraShiftFunction::typeName ); CLJSoftIntraShiftFunction_exposer.def( "typeName" , typeName_function_value ); } { //::SireMM::CLJSoftIntraShiftFunction::what typedef char const * ( ::SireMM::CLJSoftIntraShiftFunction::*what_function_type )( ) const; what_function_type what_function_value( &::SireMM::CLJSoftIntraShiftFunction::what ); CLJSoftIntraShiftFunction_exposer.def( "what" , what_function_value ); } CLJSoftIntraShiftFunction_exposer.staticmethod( "defaultShiftFunction" ); CLJSoftIntraShiftFunction_exposer.staticmethod( "typeName" ); CLJSoftIntraShiftFunction_exposer.def( "__copy__", &__copy__); CLJSoftIntraShiftFunction_exposer.def( "__deepcopy__", &__copy__); CLJSoftIntraShiftFunction_exposer.def( "clone", &__copy__); CLJSoftIntraShiftFunction_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMM::CLJSoftIntraShiftFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJSoftIntraShiftFunction_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMM::CLJSoftIntraShiftFunction >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); CLJSoftIntraShiftFunction_exposer.def( "__str__", &__str__< ::SireMM::CLJSoftIntraShiftFunction > ); CLJSoftIntraShiftFunction_exposer.def( "__repr__", &__str__< ::SireMM::CLJSoftIntraShiftFunction > ); }}
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:74,
示例26: register_IDAssigner_class//.........这里部分代码省略......... , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } IDAssigner_exposer.def( bp::self == bp::self ); { //::SireSystem::IDAssigner::points typedef ::QVector< SireBase::PropPtr< SireFF::Point > > ( ::SireSystem::IDAssigner::*points_function_type)( ) const; points_function_type points_function_value( &::SireSystem::IDAssigner::points ); IDAssigner_exposer.def( "points" , points_function_value , "Return the points used to identify the molecules" ); } { //::SireSystem::IDAssigner::propertyMap typedef ::SireBase::PropertyMap const & ( ::SireSystem::IDAssigner::*propertyMap_function_type)( ) const; propertyMap_function_type propertyMap_function_value( &::SireSystem::IDAssigner::propertyMap ); IDAssigner_exposer.def( "propertyMap" , propertyMap_function_value , bp::return_value_policy< bp::copy_const_reference >() , "Return the property map used to find the properties required/nby this constraint" ); } { //::SireSystem::IDAssigner::space typedef ::SireVol::Space const & ( ::SireSystem::IDAssigner::*space_function_type)( ) const; space_function_type space_function_value( &::SireSystem::IDAssigner::space ); IDAssigner_exposer.def( "space" , space_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the space used to calculate distances between the molecules/nand the identity points" ); } { //::SireSystem::IDAssigner::toString typedef ::QString ( ::SireSystem::IDAssigner::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireSystem::IDAssigner::toString ); IDAssigner_exposer.def( "toString" , toString_function_value , "Return a string representation of this assigner" ); } { //::SireSystem::IDAssigner::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::IDAssigner::typeName ); IDAssigner_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireSystem::IDAssigner::update typedef void ( ::SireSystem::IDAssigner::*update_function_type)( ::SireSystem::System const & ) ; update_function_type update_function_value( &::SireSystem::IDAssigner::update ); IDAssigner_exposer.def( "update" , update_function_value , ( bp::arg("system") ) , "Update the assigner with the passed system." ); } { //::SireSystem::IDAssigner::what typedef char const * ( ::SireSystem::IDAssigner::*what_function_type)( ) const; what_function_type what_function_value( &::SireSystem::IDAssigner::what ); IDAssigner_exposer.def( "what" , what_function_value , "" ); } IDAssigner_exposer.staticmethod( "typeName" ); IDAssigner_exposer.def( "__copy__", &__copy__); IDAssigner_exposer.def( "__deepcopy__", &__copy__); IDAssigner_exposer.def( "clone", &__copy__); IDAssigner_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::IDAssigner >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IDAssigner_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::IDAssigner >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); IDAssigner_exposer.def( "__str__", &__str__< ::SireSystem::IDAssigner > ); IDAssigner_exposer.def( "__repr__", &__str__< ::SireSystem::IDAssigner > ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例27: register_InterGroupCLJFF_class//.........这里部分代码省略......... "force" , force_function_value , ( bp::arg("forcetable"), bp::arg("symbol"), bp::arg("scale_force")=1 ) ); } InterGroupCLJFF_exposer.def( bp::self != bp::self ); { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::operator= typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > & ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*assign_function_type )( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > const & ) ; assign_function_type assign_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::operator= ); InterGroupCLJFF_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } InterGroupCLJFF_exposer.def( bp::self == bp::self ); { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential ); InterGroupCLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential ); InterGroupCLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential ); InterGroupCLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef void ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*potential_function_type )( ::SireFF::PotentialTable &,::SireCAS::Symbol const &,::SireFF::Probe const &,double ) ; potential_function_type potential_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::potential ); InterGroupCLJFF_exposer.def( "potential" , potential_function_value , ( bp::arg("potentialtable"), bp::arg("component"), bp::arg("probe"), bp::arg("scale_potential")=1 ) ); } { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::typeName typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::typeName ); InterGroupCLJFF_exposer.def( "typeName" , typeName_function_value ); } { //::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::what typedef SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > > exported_class_t; typedef char const * ( ::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::*what_function_type )( ) const; what_function_type what_function_value( &::SireFF::Inter2B2G3DFF< SireMM::CLJPotentialInterface< SireMM::InterCLJPotential > >::what ); InterGroupCLJFF_exposer.def( "what" , what_function_value ); } InterGroupCLJFF_exposer.staticmethod( "typeName" ); InterGroupCLJFF_exposer.def( "__copy__", &__copy__); InterGroupCLJFF_exposer.def( "__deepcopy__", &__copy__); InterGroupCLJFF_exposer.def( "clone", &__copy__); InterGroupCLJFF_exposer.def( "__str__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::CLJPotentialInterface<SireMM::InterCLJPotential> > > ); InterGroupCLJFF_exposer.def( "__repr__", &__str__< ::SireFF::Inter2B2G3DFF<SireMM::CLJPotentialInterface<SireMM::InterCLJPotential> > > ); InterGroupCLJFF_exposer.def( "__len__", &__len_count< ::SireFF::Inter2B2G3DFF<SireMM::CLJPotentialInterface<SireMM::InterCLJPotential> > > ); }}
开发者ID:chryswoods,项目名称:Sire,代码行数:101,
示例28: register_AngleComponent_class//.........这里部分代码省略......... typedef ::SireCAS::Symbol const & ( *r12_function_type )( ); r12_function_type r12_function_value( &::SireSystem::AngleComponent::r12 ); AngleComponent_exposer.def( "r12" , r12_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the 1-2 distance" ); } { //::SireSystem::AngleComponent::theta typedef ::SireCAS::Symbol const & ( *theta_function_type )( ); theta_function_type theta_function_value( &::SireSystem::AngleComponent::theta ); AngleComponent_exposer.def( "theta" , theta_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the central angle between/nthe three points" ); } { //::SireSystem::AngleComponent::theta012 typedef ::SireCAS::Symbol const & ( *theta012_function_type )( ); theta012_function_type theta012_function_value( &::SireSystem::AngleComponent::theta012 ); AngleComponent_exposer.def( "theta012" , theta012_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 012 between/nthe three points" ); } { //::SireSystem::AngleComponent::theta021 typedef ::SireCAS::Symbol const & ( *theta021_function_type )( ); theta021_function_type theta021_function_value( &::SireSystem::AngleComponent::theta021 ); AngleComponent_exposer.def( "theta021" , theta021_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 021 between/nthe three points" ); } { //::SireSystem::AngleComponent::theta102 typedef ::SireCAS::Symbol const & ( *theta102_function_type )( ); theta102_function_type theta102_function_value( &::SireSystem::AngleComponent::theta102 ); AngleComponent_exposer.def( "theta102" , theta102_function_value , bp::return_value_policy<bp::clone_const_reference>() , "Return the symbol that represents the angle 102 between/nthe three points" ); } { //::SireSystem::AngleComponent::toString typedef ::QString ( ::SireSystem::AngleComponent::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireSystem::AngleComponent::toString ); AngleComponent_exposer.def( "toString" , toString_function_value , "" ); } { //::SireSystem::AngleComponent::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireSystem::AngleComponent::typeName ); AngleComponent_exposer.def( "typeName" , typeName_function_value , "" ); } AngleComponent_exposer.staticmethod( "r01" ); AngleComponent_exposer.staticmethod( "r02" ); AngleComponent_exposer.staticmethod( "r12" ); AngleComponent_exposer.staticmethod( "theta" ); AngleComponent_exposer.staticmethod( "theta012" ); AngleComponent_exposer.staticmethod( "theta021" ); AngleComponent_exposer.staticmethod( "theta102" ); AngleComponent_exposer.staticmethod( "typeName" ); AngleComponent_exposer.def( "__copy__", &__copy__); AngleComponent_exposer.def( "__deepcopy__", &__copy__); AngleComponent_exposer.def( "clone", &__copy__); AngleComponent_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireSystem::AngleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AngleComponent_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireSystem::AngleComponent >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); AngleComponent_exposer.def( "__str__", &__str__< ::SireSystem::AngleComponent > ); AngleComponent_exposer.def( "__repr__", &__str__< ::SireSystem::AngleComponent > ); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
示例29: register_Velocity3D_classvoid register_Velocity3D_class(){ { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > typedef bp::class_< SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > > Velocity3D_exposer_t; Velocity3D_exposer_t Velocity3D_exposer = Velocity3D_exposer_t( "Velocity3D", bp::init< >() ); bp::scope Velocity3D_scope( Velocity3D_exposer ); Velocity3D_exposer.def( bp::init< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const & >(( bp::arg("val") )) ); Velocity3D_exposer.def( bp::init< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const &, SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const &, SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const & >(( bp::arg("x"), bp::arg("y"), bp::arg("z") )) ); Velocity3D_exposer.def( bp::init< SireMaths::Vector const & >(( bp::arg("v") )) ); Velocity3D_exposer.def( bp::init< SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > const & >(( bp::arg("other") )) ); { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::at typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef ::SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const & ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*at_function_type )( int ) const; at_function_type at_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::at ); Velocity3D_exposer.def( "at" , at_function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::count typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef int ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*count_function_type )( ) const; count_function_type count_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::count ); Velocity3D_exposer.def( "count" , count_function_value ); } Velocity3D_exposer.def( bp::self != bp::self ); Velocity3D_exposer.def( bp::self * bp::other< double >() ); Velocity3D_exposer.def( bp::self + bp::self ); Velocity3D_exposer.def( -bp::self ); Velocity3D_exposer.def( bp::self - bp::self ); Velocity3D_exposer.def( bp::self / bp::other< double >() ); { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::operator= typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > & ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*assign_function_type )( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > const & ) ; assign_function_type assign_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::operator= ); Velocity3D_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } Velocity3D_exposer.def( bp::self == bp::self ); { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::operator[] typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef ::SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const & ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*__getitem___function_type )( int ) const; __getitem___function_type __getitem___function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::operator[] ); Velocity3D_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , bp::return_value_policy< bp::copy_const_reference >() ); } { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::set typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef void ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*set_function_type )( int,::SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > const & ) ; set_function_type set_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::set ); Velocity3D_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("value") ) ); } { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::toString typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef ::QString ( ::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::*toString_function_type )( ) const; toString_function_type toString_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::toString ); Velocity3D_exposer.def( "toString" , toString_function_value ); } { //::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::typeName typedef SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > > exported_class_t; typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMaths::Vector3D< SireUnits::Dimension::PhysUnit< 0, 1, -1, 0, 0, 0, 0 > >::typeName ); Velocity3D_exposer.def( "typeName" , typeName_function_value ); //.........这里部分代码省略.........
开发者ID:Alwnikrotikz,项目名称:sire,代码行数:101,
示例30: register_ComplexValues_class//.........这里部分代码省略......... , 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); }}
开发者ID:Steboss,项目名称:Sire,代码行数:101,
注:本文中的typeName_function_value函数示例整理自Github/MSDocs等源码及文档管理平台,相关代码片段筛选自各路编程大神贡献的开源项目,源码版权归原作者所有,传播和使用请参考对应项目的License;未经允许,请勿转载。 C++ typeOf函数代码示例 C++ typeName函数代码示例 |