Changeset 6ba9ba
- Timestamp:
- Jun 13, 2012, 5:39:24 PM (14 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- 2aad5a
- Parents:
- ab2ebe1
- git-author:
- Frederik Heber <heber@…> (06/05/12 14:59:10)
- git-committer:
- Frederik Heber <heber@…> (06/13/12 17:39:24)
- Location:
- src
- Files:
-
- 102 edited
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Actions/Action.hpp (modified) (1 diff)
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Actions/Action_impl_header.hpp (modified) (6 diffs)
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Actions/Action_impl_pre.hpp (modified) (7 diffs)
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Actions/Action_impl_python.hpp (modified) (4 diffs)
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Actions/AnalysisAction/CalculateBoundingBoxAction.def (modified) (1 diff)
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Actions/AnalysisAction/CalculateCellVolumeAction.def (modified) (1 diff)
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Actions/AnalysisAction/CalculateMolarMassAction.def (modified) (1 diff)
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Actions/AnalysisAction/DipoleAngularCorrelationAction.def (modified) (1 diff)
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Actions/AnalysisAction/DipoleCorrelationAction.def (modified) (1 diff)
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Actions/AnalysisAction/MolecularVolumeAction.def (modified) (1 diff)
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Actions/AnalysisAction/PairCorrelationAction.def (modified) (1 diff)
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Actions/AnalysisAction/PointCorrelationAction.def (modified) (1 diff)
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Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) (1 diff)
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Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) (1 diff)
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Actions/AtomAction/AddAction.def (modified) (2 diffs)
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Actions/AtomAction/ChangeElementAction.def (modified) (1 diff)
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Actions/AtomAction/RemoveAction.def (modified) (1 diff)
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Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) (1 diff)
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Actions/AtomAction/SaveSelectedAtomsAction.def (modified) (1 diff)
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Actions/AtomAction/TranslateAction.def (modified) (1 diff)
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Actions/CommandAction/BondLengthTableAction.def (modified) (1 diff)
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Actions/CommandAction/ElementDbAction.def (modified) (1 diff)
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Actions/CommandAction/FastParsingAction.def (modified) (1 diff)
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Actions/CommandAction/HelpAction.def (modified) (2 diffs)
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Actions/CommandAction/VerboseAction.def (modified) (1 diff)
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Actions/CommandAction/VersionAction.def (modified) (1 diff)
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Actions/CommandAction/WarrantyAction.def (modified) (1 diff)
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Actions/FillAction/FillRegularGridAction.def (modified) (1 diff)
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Actions/FillAction/FillSphericalSurfaceAction.def (modified) (1 diff)
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Actions/FragmentationAction/FragmentationAction.def (modified) (2 diffs)
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Actions/GraphAction/CreateAdjacencyAction.def (modified) (1 diff)
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Actions/GraphAction/DepthFirstSearchAction.def (modified) (1 diff)
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Actions/GraphAction/SubgraphDissectionAction.def (modified) (1 diff)
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Actions/MoleculeAction/BondFileAction.def (modified) (1 diff)
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Actions/MoleculeAction/ChangeNameAction.def (modified) (1 diff)
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Actions/MoleculeAction/CopyAction.def (modified) (1 diff)
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Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) (1 diff)
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Actions/MoleculeAction/FillWithMoleculeAction.def (modified) (1 diff)
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Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) (1 diff)
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Actions/MoleculeAction/LoadAction.def (modified) (1 diff)
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Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) (1 diff)
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Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) (1 diff)
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Actions/MoleculeAction/SaveAdjacencyAction.def (modified) (1 diff)
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Actions/MoleculeAction/SaveBondsAction.def (modified) (1 diff)
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Actions/MoleculeAction/SaveSelectedMoleculesAction.def (modified) (1 diff)
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Actions/MoleculeAction/SaveTemperatureAction.def (modified) (1 diff)
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Actions/MoleculeAction/SuspendInWaterAction.def (modified) (1 diff)
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Actions/MoleculeAction/VerletIntegrationAction.def (modified) (1 diff)
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Actions/ParserAction/ParseTremoloPotentialsAction.def (modified) (1 diff)
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Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def (modified) (1 diff)
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Actions/ParserAction/SetOutputFormatsAction.def (modified) (1 diff)
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Actions/ParserAction/SetParserParametersAction.def (modified) (1 diff)
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Actions/ParserAction/SetTremoloAtomdataAction.def (modified) (1 diff)
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Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (modified) (1 diff)
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Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (modified) (1 diff)
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Actions/RedoAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AllAtomsAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AtomByIdAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/AtomByOrderAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/InvertAtomsAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAllAtomsAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAtomByIdAction.def (modified) (1 diff)
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Actions/SelectionAction/Atoms/NotAtomByOrderAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/AllMoleculesAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/InvertMoleculesAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/MoleculeByIdAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (modified) (1 diff)
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Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified) (1 diff)
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Actions/TesselationAction/ConvexEnvelopeAction.def (modified) (1 diff)
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Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) (1 diff)
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Actions/UndoAction.def (modified) (1 diff)
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Actions/WorldAction/AddEmptyBoundaryAction.def (modified) (1 diff)
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Actions/WorldAction/BoundInBoxAction.def (modified) (1 diff)
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Actions/WorldAction/CenterInBoxAction.def (modified) (1 diff)
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Actions/WorldAction/CenterOnEdgeAction.def (modified) (1 diff)
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Actions/WorldAction/ChangeBoxAction.def (modified) (1 diff)
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Actions/WorldAction/InputAction.def (modified) (1 diff)
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Actions/WorldAction/OutputAction.def (modified) (1 diff)
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Actions/WorldAction/RepeatBoxAction.def (modified) (1 diff)
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Actions/WorldAction/ScaleBoxAction.def (modified) (1 diff)
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Actions/WorldAction/SetBoundaryConditionsAction.def (modified) (1 diff)
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Actions/WorldAction/SetDefaultNameAction.def (modified) (1 diff)
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Actions/WorldAction/SetWorldTimeAction.def (modified) (1 diff)
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Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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src/Actions/Action.hpp
rab2ebe1 r6ba9ba 17 17 #include <boost/shared_ptr.hpp> 18 18 19 #include <boost/preprocessor/list/adt.hpp> 20 19 21 /** Used in .def files in paramdefaults define to set that no default value exists. 20 * We define NO DEFAULT here, as it is used in .def files and needs to be present22 * We define NOPARAM_DEFAULT here, as it is used in .def files and needs to be present 21 23 * before these are included. 22 24 */ 23 #define NO DEFAULT ""25 #define NOPARAM_DEFAULT BOOST_PP_NIL 24 26 25 27 // forward declaration -
src/Actions/Action_impl_header.hpp
rab2ebe1 r6ba9ba 14 14 #include <boost/preprocessor/comparison/equal.hpp> 15 15 #include <boost/preprocessor/comparison/not_equal.hpp> 16 #include <boost/preprocessor/control/expr_if.hpp> 16 17 #include <boost/preprocessor/control/if.hpp> 17 18 #include <boost/preprocessor/debug/assert.hpp> 18 19 #include <boost/preprocessor/iteration/local.hpp> 20 #include <boost/preprocessor/list/adt.hpp> 19 21 #include <boost/preprocessor/punctuation/comma_if.hpp> 22 #include <boost/preprocessor/punctuation/paren.hpp> 20 23 #include <boost/preprocessor/repetition/repeat.hpp> 21 24 #include <boost/preprocessor/seq/elem.hpp> … … 49 52 #define MAXPARAMTYPES BOOST_PP_SEQ_SIZE(paramtypes) 50 53 #endif 54 #ifndef paramdefaults 55 #define MAXPARAMDEFAULTS 0 56 // this is required for valid_print "else part" 57 #define sequencer(z,n,data) \ 58 BOOST_PP_SEQ_PUSH_BACK( data, NOPARAM_DEFAULT) 59 #define paramdefaults BOOST_PP_REPEAT( MAXPARAMTYPES, sequencer, BOOST_PP_SEQ_NIL ) 60 #else 61 #define MAXPARAMDEFAULTS BOOST_PP_SEQ_SIZE(paramdefaults) 62 #endif 63 #define PARAM_DEFAULT(x) \ 64 (x, BOOST_PP_NIL) 51 65 52 66 // check user has given name and category … … 79 93 #endif 80 94 81 // check if paramdefaults is given, otherwise fill list with NO DEFAULT95 // check if paramdefaults is given, otherwise fill list with NOPARAM_DEFAULT 82 96 // this does not work: paramdefaults has to be completely defined before 83 97 // being used within option_print (used as an array there and not as 84 98 // some function call still to be expanded) 85 //#define paramdefaults (NO DEFAULT)99 //#define paramdefaults (NOPARAM_DEFAULT) 86 100 //#define tempvalue(z,n,value) 87 // BOOST_PP_CAT(value,(NO DEFAULT))101 // BOOST_PP_CAT(value,(NOPARAM_DEFAULT)) 88 102 //BOOST_PP_REPEAT(tempvalue, MAXPARAMTYPES, paramdefaults) 89 103 //#undef tempvalue … … 112 126 113 127 // prints Options.insert 114 #ifdef paramdefaults115 128 #define option_print(z,n,unused, unused2) \ 116 129 tester = Options. insert (\ … … 120 133 BOOST_PP_SEQ_ELEM(n, paramtokens), \ 121 134 &typeid( BOOST_PP_SEQ_ELEM(n, paramtypes) ), \ 122 BOOST_PP_SEQ_ELEM(n, paramdescriptions), \ 123 std::string( BOOST_PP_SEQ_ELEM(n, paramdefaults) ) )\ 135 BOOST_PP_SEQ_ELEM(n, paramdescriptions) \ 136 BOOST_PP_COMMA_IF( BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, paramdefaults) ) ) ) \ 137 BOOST_PP_EXPR_IF( \ 138 BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, paramdefaults) ) ), \ 139 toString BOOST_PP_LPAREN() \ 140 BOOST_PP_LIST_FIRST( BOOST_PP_SEQ_ELEM(n, paramdefaults) )) \ 141 BOOST_PP_RPAREN() \ 142 )\ 124 143 )\ 125 144 ); \ 126 145 ASSERT(tester.second, "ActionTrait<ACTION>::ActionTrait<ACTION>() option token present twice!"); 127 #else128 #define option_print(z,n,unused, unused2) \129 tester = Options. insert (\130 std::pair< std::string, OptionTrait *> ( \131 BOOST_PP_SEQ_ELEM(n, paramtokens), \132 new OptionTrait(\133 BOOST_PP_SEQ_ELEM(n, paramtokens), \134 &typeid( BOOST_PP_SEQ_ELEM(n, paramtypes) ), \135 BOOST_PP_SEQ_ELEM(n, paramdescriptions), \136 NODEFAULT )\137 )\138 ); \139 ASSERT(tester.second, "ActionTrait<ACTION>::ActionTrait<ACTION>() option token present twice!");140 #endif141 146 142 147 namespace MoleCuilder { … … 242 247 #undef paramdefaults 243 248 #undef MAXPARAMTYPES 249 #undef MAXPARAMDEFAULTS 244 250 #undef statetypes 245 251 #undef statereferences 246 252 #undef MAXSTATETYPES 253 #undef PARAM_DEFAULT 247 254 248 255 #undef option_print 256 #undef sequencer 249 257 #undef type_print 250 258 #undef type_list -
src/Actions/Action_impl_pre.hpp
rab2ebe1 r6ba9ba 37 37 #include <boost/preprocessor/comparison/equal.hpp> 38 38 #include <boost/preprocessor/comparison/not_equal.hpp> 39 #include <boost/preprocessor/control/expr_if.hpp> 39 40 #include <boost/preprocessor/control/if.hpp> 40 41 #include <boost/preprocessor/debug/assert.hpp> 41 42 #include <boost/preprocessor/iteration/local.hpp> 43 #include <boost/preprocessor/list/adt.hpp> 42 44 #include <boost/preprocessor/punctuation/comma_if.hpp> 43 45 #include <boost/preprocessor/repetition/repeat.hpp> … … 76 78 #define MAXSTATETYPES BOOST_PP_SEQ_SIZE(statetypes) 77 79 #endif 80 #ifndef paramdefaults 81 #define MAXPARAMDEFAULTS 0 82 // this is required for valid_print "else part" 83 #define sequencer(z,n,data) \ 84 BOOST_PP_SEQ_PUSH_BACK( data, NOPARAM_DEFAULT) 85 #define paramdefaults BOOST_PP_REPEAT( MAXPARAMTYPES, sequencer, BOOST_PP_SEQ_NIL ) 86 #else 87 #define MAXPARAMDEFAULTS BOOST_PP_SEQ_SIZE(paramdefaults) 88 #endif 89 #define PARAM_DEFAULT(x) \ 90 (x, BOOST_PP_NIL) 78 91 79 92 // check user has given name and category … … 128 141 ); 129 142 130 // print an initialiser list, i.e. "var( token, valid )(,)"131 #define valid_print(z,n,TOKENLIST, VARLIST, VALIDLIST ) \143 // print an initialiser list, i.e. "var( token, valid (,default) )(,)" 144 #define valid_print(z,n,TOKENLIST, VARLIST, VALIDLIST, DEFAULTLIST) \ 132 145 BOOST_PP_COMMA_IF(n) \ 133 146 BOOST_PP_SEQ_ELEM(n, VARLIST) \ … … 136 149 , \ 137 150 BOOST_PP_SEQ_ELEM(n, VALIDLIST) \ 151 BOOST_PP_COMMA_IF( BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) ) ) ) \ 152 BOOST_PP_EXPR_IF( \ 153 BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) ) ), \ 154 BOOST_PP_LIST_FIRST( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) )) \ 138 155 ) 139 156 140 // print an initialiser list, i.e. "var( token, valid)(,)"157 // print an initialiser list, i.e. "var( valid . var )(,)" 141 158 #define validcopy_print(z,n,TOKENLIST, VARLIST, VALID) \ 142 159 BOOST_PP_COMMA_IF(n) \ … … 230 247 #if defined paramtokens && defined paramreferences && defined paramvalids 231 248 : 232 #define BOOST_PP_LOCAL_MACRO(n) valid_print(~, n, paramtokens, paramreferences, paramvalids )249 #define BOOST_PP_LOCAL_MACRO(n) valid_print(~, n, paramtokens, paramreferences, paramvalids, paramdefaults) 233 250 #define BOOST_PP_LOCAL_LIMITS (0, MAXPARAMTYPES-1) 234 251 #include BOOST_PP_LOCAL_ITERATE() … … 309 326 #undef paramdefaults 310 327 #undef MAXPARAMTYPES 328 #undef MAXPARAMDEFAULTS 311 329 #undef statetypes 312 330 #undef statereferences 313 331 #undef MAXSTATETYPES 332 #undef PARAM_DEFAULT 314 333 315 334 #undef type2string … … 319 338 #undef type_list 320 339 #undef dialog_print 340 #undef sequencer 321 341 #undef valid_print 322 342 #undef validcopy_print -
src/Actions/Action_impl_python.hpp
rab2ebe1 r6ba9ba 18 18 #include <boost/preprocessor/facilities/expand.hpp> 19 19 #include <boost/preprocessor/iteration/local.hpp> 20 #include <boost/preprocessor/list/adt.hpp> 20 21 #include <boost/preprocessor/punctuation/comma_if.hpp> 21 22 #define NODEFAULT "" 22 #include <boost/preprocessor/punctuation/paren.hpp> 23 23 24 24 // some derived names: if CATEGORY is not given, we don't prefix with it … … 32 32 #define PARAMS BOOST_PP_CAT(ACTIONNAME, Parameters) 33 33 #endif 34 35 // for paramdefaults entries 36 #define PARAM_DEFAULT(x) \ 37 (x, BOOST_PP_NIL) 34 38 35 39 // check if no lists given … … 61 65 BOOST_PP_SEQ_ELEM(n, STRINGLIST) \ 62 66 ) \ 63 = BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) 67 = \ 68 BOOST_PP_IF( \ 69 BOOST_PP_NOT( BOOST_PP_LIST_IS_NIL( BOOST_PP_SEQ_ELEM(n, paramdefaults) ) ), \ 70 toString BOOST_PP_LPAREN() \ 71 BOOST_PP_LIST_FIRST( BOOST_PP_SEQ_ELEM(n, DEFAULTLIST) ) \ 72 BOOST_PP_RPAREN(), \ 73 std::string("") \ 74 ) 64 75 65 76 // print a list of comma-separated list, i.e. (,)arg("Action") … … 142 153 #undef PARAMS 143 154 #undef MAXPARAMTYPES 155 #undef PARAM_DEFAULT 144 156 145 157 #undef help_print -
src/Actions/AnalysisAction/CalculateBoundingBoxAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #undef paramtypes 18 18 #undef paramreferences -
src/Actions/AnalysisAction/CalculateCellVolumeAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramreferences -
src/Actions/AnalysisAction/CalculateMolarMassAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramreferences -
src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def
rab2ebe1 r6ba9ba 19 19 // i.e. there is an integer with variable name Z that can be found in 20 20 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 21 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value21 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 22 22 #define paramtypes (std::string)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(unsigned int) 23 23 #define paramreferences (DipoleFormula)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(timestepzero) 24 24 #define paramtokens ("dipole-angular-correlation")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("time-step-zero") 25 25 #define paramdescriptions ("formula of molecules to calculate dipole of")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("initial time step to correlate following ones against") 26 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")26 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0)) 27 27 #define paramvalids \ 28 28 (FormulaValidator()) \ -
src/Actions/AnalysisAction/DipoleCorrelationAction.def
rab2ebe1 r6ba9ba 17 17 // i.e. there is an integer with variable name Z that can be found in 18 18 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 19 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value19 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 20 20 #define paramtypes (double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool) 21 21 #define paramreferences (BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic) 22 22 #define paramtokens ("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic") 23 23 #define paramdescriptions ("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions") 24 #define paramdefaults (NO DEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")24 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) 25 25 #define paramvalids \ 26 26 (RotationAngleValidator()) \ -
src/Actions/AnalysisAction/MolecularVolumeAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramreferences -
src/Actions/AnalysisAction/PairCorrelationAction.def
rab2ebe1 r6ba9ba 22 22 // i.e. there is an integer with variable name Z that can be found in 23 23 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 24 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value24 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 25 25 #define paramtypes (std::vector<const element *>)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool) 26 26 #define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic) 27 27 #define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic") 28 28 #define paramdescriptions ("set of elements")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions") 29 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")29 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) 30 30 #define paramvalids \ 31 31 (STLVectorValidator< std::vector<const element *> >(2,2, ElementValidator())) \ -
src/Actions/AnalysisAction/PointCorrelationAction.def
rab2ebe1 r6ba9ba 23 23 // i.e. there is an integer with variable name Z that can be found in 24 24 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 25 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value25 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 26 26 #define paramtypes (std::vector<const element *>)(Vector)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool) 27 27 #define paramreferences (elements)(Point)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic) 28 28 #define paramtokens ("elements")("position")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic") 29 29 #define paramdescriptions ("set of elements")("position in R^3 space")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions") 30 #define paramdefaults (NO DEFAULT)(NODEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")30 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) 31 31 #define paramvalids \ 32 32 (STLVectorValidator< std::vector<const element *> >(ElementValidator())) \ -
src/Actions/AnalysisAction/PrincipalAxisSystemAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #undef paramtypes 18 18 #undef paramreferences -
src/Actions/AnalysisAction/SurfaceCorrelationAction.def
rab2ebe1 r6ba9ba 21 21 // i.e. there is an integer with variable name Z that can be found in 22 22 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 23 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value23 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 24 24 #define paramtypes (std::vector<const element *>)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool) 25 25 #define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic) 26 26 #define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic") 27 27 #define paramdescriptions ("set of elements")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("system is constraint to periodic boundary conditions") 28 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.5")(NODEFAULT)(NODEFAULT)(NODEFAULT)("0")28 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) 29 29 #define paramvalids \ 30 30 (STLVectorValidator< std::vector<const element *> >(ElementValidator())) \ -
src/Actions/AtomAction/AddAction.def
rab2ebe1 r6ba9ba 16 16 // i.e. there is an integer with variable name Z that can be found in 17 17 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 18 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value18 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 19 19 //#define paramtypes (const element *)(BoxVector) TODO: use a validator 20 20 #define paramtypes (const element *)(Vector) … … 22 22 #define paramdescriptions ("element of new atom")("position within current domain") 23 23 #define paramreferences (elemental)(position) 24 #define paramdefaults (NO DEFAULT)(NODEFAULT)24 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT) 25 25 #define paramvalids \ 26 26 (ElementValidator()) \ -
src/Actions/AtomAction/ChangeElementAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (const element *) 18 18 #define paramtokens ("change-element") -
src/Actions/AtomAction/RemoveAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/AtomAction/RotateAroundOriginByAngleAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (double)(Vector) 18 18 #define paramtokens ("rotate-around-origin")("position") -
src/Actions/AtomAction/SaveSelectedAtomsAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (boost::filesystem::path) 19 19 #define paramtokens ("save-selected-atoms") -
src/Actions/AtomAction/TranslateAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (Vector)(bool) 18 18 #define paramtokens ("translate-atoms")("periodic") 19 19 #define paramdescriptions ("translation vector")("system is constraint to periodic boundary conditions") 20 20 #define paramreferences (x)(periodic) 21 #define paramdefaults (NO DEFAULT)("0")21 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) 22 22 #define paramvalids \ 23 23 (DummyValidator< Vector >()) \ -
src/Actions/CommandAction/BondLengthTableAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path) 18 18 #define paramtokens ("bond-table") -
src/Actions/CommandAction/ElementDbAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (boost::filesystem::path) 17 17 #define paramtokens ("element-db") -
src/Actions/CommandAction/FastParsingAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (bool) 17 17 #define paramtokens ("fastparsing") -
src/Actions/CommandAction/HelpAction.def
rab2ebe1 r6ba9ba 7 7 8 8 // all includes and forward declarations necessary for non-integral types below 9 #include <string> 10 #include <vector> 9 11 10 12 #include "Parameters/Validators/DiscreteValidator.hpp" … … 14 16 // i.e. there is an integer with variable name Z that can be found in 15 17 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value18 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 19 #define paramtypes (std::string) 18 20 #define paramtokens ("actionname") 19 21 #define paramdescriptions ("Name of an action whose option list is then given") 20 #define paramdefaults ( "none")22 #define paramdefaults (PARAM_DEFAULT(std::string("none"))) 21 23 #define paramreferences (actionname) 22 24 #define paramvalids \ -
src/Actions/CommandAction/VerboseAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (unsigned int) 17 17 #define paramtokens ("verbose") -
src/Actions/CommandAction/VersionAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/CommandAction/WarrantyAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/FillAction/FillRegularGridAction.def
rab2ebe1 r6ba9ba 20 20 // i.e. there is an integer with variable name Z that can be found in 21 21 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 22 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value22 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 23 23 #define paramtypes (std::vector< unsigned int >)(Vector)(double)(double)(double)(double)(bool) 24 24 #define paramtokens ("mesh-size")("mesh-offset")("min-distance")("tesselation-radius")("random-atom-displacement")("random-molecule-displacement")("DoRotate") 25 25 #define paramdescriptions ("number of points per axis")("offset to start of partition, must be in [0,1)")("Minimum distance to other atoms")("radius of rolling sphere in tesselating selected molecule's surfaces")("magnitude of random atom displacement")("magnitude of random molecule displacement")("whether to rotate or not") 26 #define paramdefaults (NO DEFAULT)("0.,0.,0.")("1.")("0.")("0.")("0.")("0")26 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(Vector(0.,0.,0.)))(PARAM_DEFAULT(1.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false)) 27 27 #define paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate) 28 28 #define paramvalids \ -
src/Actions/FillAction/FillSphericalSurfaceAction.def
rab2ebe1 r6ba9ba 18 18 // i.e. there is an integer with variable name Z that can be found in 19 19 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 20 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value20 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 21 21 #define paramtypes (Vector)(double)(unsigned int)(double)(Vector) 22 22 #define paramtokens ("center")("radius")("count")("min-distance")("Alignment-Axis") 23 23 #define paramdescriptions ("center of the sphere")("sphere size")("number of instances to be added, changed according to geometric needs")("minimum distance between added instances")("The filler molecule is rotated relative to this alignment axis") 24 #define paramdefaults ( "0.,0.,0.")(NODEFAULT)("12")("1.")(NODEFAULT)24 #define paramdefaults (PARAM_DEFAULT(Vector(0.,0.,0.)))(NOPARAM_DEFAULT)(PARAM_DEFAULT(12))(PARAM_DEFAULT(1.))(NOPARAM_DEFAULT) 25 25 #define paramreferences (center)(radius)(N)(mindistance)(AlignedAxis) 26 26 #define paramvalids \ -
src/Actions/FragmentationAction/FragmentationAction.def
rab2ebe1 r6ba9ba 7 7 8 8 // all includes and forward declarations necessary for non-integral types below 9 #include <boost/assign.hpp> 9 10 #include <string> 10 11 #include <vector> … … 18 19 // i.e. there is an integer with variable name Z that can be found in 19 20 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 20 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value21 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 21 22 #define paramtypes (std::string)(double)(unsigned int)(bool)(std::vector<std::string>) 22 23 #define paramtokens ("fragment-molecule")("distance")("order")("DoSaturate")("output-types") 23 24 #define paramdescriptions ("prefix of each fragment file")("distance in space")("order of a discretization, dissection, ...")("do saturate dangling bonds with hydrogen")("type(s) of parsers that output fragment config files") 24 #define paramdefaults (NO DEFAULT)(NODEFAULT)(NODEFAULT)("1")("pcp tremolo xyz")25 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(true)) (PARAM_DEFAULT(std::vector<std::string>(1, std::string("pcp")))) 25 26 #define paramreferences (prefix)(distance)(order)(DoSaturation)(types) 26 27 #define paramvalids \ -
src/Actions/GraphAction/CreateAdjacencyAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/GraphAction/DepthFirstSearchAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (bool) 17 17 #define paramtokens ("DoSaturate") 18 18 #define paramdescriptions ("whether to treat hydrogen special or not") 19 #define paramdefaults ( "1")19 #define paramdefaults (PARAM_DEFAULT(true)) 20 20 #define paramreferences (DoSaturation) 21 21 #define paramvalids \ -
src/Actions/GraphAction/SubgraphDissectionAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/MoleculeAction/BondFileAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path)(unsigned int)(unsigned int) 18 18 #define paramtokens ("bond-file")("skiplines")("offset") 19 19 #define paramdescriptions ("name of the bond file")("number of header lines to skip")("offset to add to each id") 20 #define paramdefaults (NO DEFAULT)("1")("0")20 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(1))(PARAM_DEFAULT(0)) 21 21 #define paramreferences (bondfile)(skiplines)(id_offset) 22 22 #define paramvalids \ -
src/Actions/MoleculeAction/ChangeNameAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("change-molname") -
src/Actions/MoleculeAction/CopyAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (Vector) 17 17 #define paramtokens ("position") -
src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def
rab2ebe1 r6ba9ba 19 19 // i.e. there is an integer with variable name Z that can be found in 20 20 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 21 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value21 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 22 22 #define paramtypes (boost::filesystem::path)(Vector)(double)(double)(double)(double)(bool) 23 23 #define paramtokens ("fill-void")("distances")("distance-to-molecule")("random-atom-displacement")("random-molecule-displacement")("distance-to-boundary")("DoRotate") 24 24 #define paramdescriptions ("name of xyz file of filler molecule")("list of three of distances in space, one for each axis direction")("minimum distance to present molecules")("magnitude of random atom displacement")("magnitude of random molecule displacement")("minimum distance to boundary")("whether to rotate or not") 25 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.")("0.")("0.")("0.")("0")25 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false)) 26 26 #define paramreferences (fillername)(distances)(boundary)(RandAtomDisplacement)(RandMoleculeDisplacement)(MinDistance)(DoRotate) 27 27 #define paramvalids \ -
src/Actions/MoleculeAction/FillWithMoleculeAction.def
rab2ebe1 r6ba9ba 22 22 // i.e. there is an integer with variable name Z that can be found in 23 23 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 24 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value24 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 25 25 #define paramtypes (boost::filesystem::path)(Vector)(double)(double)(double)(double)(bool) 26 26 #define paramtokens ("fill-molecule")("distances")("distance-to-molecule")("random-atom-displacement")("random-molecule-displacement")("MaxDistance")("DoRotate") 27 27 #define paramdescriptions ("name of xyz file of filler molecule")("list of three of distances in space, one for each axis direction")("minimum distance to present molecules")("magnitude of random atom displacement")("magnitude of random molecule displacement")("maximum spatial distance")("whether to rotate or not") 28 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.")("0.")("0.")("0.")("0")28 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false)) 29 29 #define paramreferences (fillername)(distances)(boundary)(RandAtomDisplacement)(RandMoleculeDisplacement)(MaxDistance)(DoRotate) 30 30 #define paramvalids \ -
src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (unsigned int)(unsigned int)(unsigned int)(bool) 18 18 #define paramtokens ("start-step")("interpolation-steps")("end-step")("id-mapping") -
src/Actions/MoleculeAction/LoadAction.def
rab2ebe1 r6ba9ba 17 17 // i.e. there is an integer with variable name Z that can be found in 18 18 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 19 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value19 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 20 20 #define paramtypes (boost::filesystem::path) 21 21 #define paramtokens ("load") -
src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (double)(Vector) 19 19 #define paramtokens ("rotate-around-self")("axis") -
src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def
rab2ebe1 r6ba9ba 16 16 // i.e. there is an integer with variable name Z that can be found in 17 17 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 18 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value18 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 19 19 #define paramtypes (Vector) 20 20 #define paramtokens ("rotate-to-principal-axis-system") -
src/Actions/MoleculeAction/SaveAdjacencyAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path) 18 18 #define paramtokens ("save-adjacency") -
src/Actions/MoleculeAction/SaveBondsAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path) 18 18 #define paramtokens ("save-bonds") -
src/Actions/MoleculeAction/SaveSelectedMoleculesAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (boost::filesystem::path) 19 19 #define paramtokens ("save-selected-molecules") -
src/Actions/MoleculeAction/SaveTemperatureAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path) 18 18 #define paramtokens ("save-temperature") -
src/Actions/MoleculeAction/SuspendInWaterAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (double) 17 17 #define paramtokens ("suspend-in-water") -
src/Actions/MoleculeAction/VerletIntegrationAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (boost::filesystem::path)(double)(unsigned int)(bool) 19 19 #define paramtokens ("verlet-integration")("deltat")("MDSteps")("keep-fixed-CenterOfMass") -
src/Actions/ParserAction/ParseTremoloPotentialsAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (boost::filesystem::path) 19 19 #define paramtokens ("parse-tremolo-potentials") -
src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (unsigned int)(boost::filesystem::path) 17 17 #define paramtokens ("save-selected-atoms-as-exttypes")("filename") -
src/Actions/ParserAction/SetOutputFormatsAction.def
rab2ebe1 r6ba9ba 16 16 // i.e. there is an integer with variable name Z that can be found in 17 17 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 18 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value18 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 19 19 #define paramtypes (std::vector<std::string>) 20 20 #define paramtokens ("set-output") -
src/Actions/ParserAction/SetParserParametersAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (std::string)(std::string) 18 18 #define paramtokens ("set-parser-parameters")("parser-parameters") 19 19 #define paramdescriptions ("name of the parser to change")("parameter (key = value;)") 20 #define paramdefaults (NO DEFAULT)(NODEFAULT)20 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT) 21 21 #define paramreferences (parsername)(newparams) 22 22 #define paramvalids \ -
src/Actions/ParserAction/SetTremoloAtomdataAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("set-tremolo-atomdata") -
src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (std::string)(std::string) 18 18 #define paramtokens ("set-random-number-distribution")("random-number-distribution-parameters") 19 19 #define paramdescriptions ("name of the distribution from boost::random")("parameter set for requested distribution") 20 #define paramdefaults (NO DEFAULT)("p=-1")20 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(std::string("p=-1"))) 21 21 #define paramreferences (distribution_type)(parameters) 22 22 #define paramvalids \ -
src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string)(std::string) 17 17 #define paramtokens ("set-random-number-engine")("random-number-engine-parameters") 18 18 #define paramdescriptions ("name of the pseudo-random engine from boost::random")("seed of the pseudo-random number sequence") 19 #define paramdefaults (NO DEFAULT)("seed=-1")19 #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(std::string("seed=-1"))) 20 20 #define paramreferences (engine_type)(parameters) 21 21 #define paramvalids \ -
src/Actions/RedoAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramreferences -
src/Actions/SelectionAction/Atoms/AllAtomsAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def
rab2ebe1 r6ba9ba 17 17 // i.e. there is an integer with variable name Z that can be found in 18 18 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 19 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value19 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 20 20 #define paramtypes (Vector)(Vector)(double)(double)(double) 21 21 #define paramtokens ("select-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z") 22 22 #define paramdescriptions ("dimensions of cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis") 23 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.")("0.")("0.")23 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.)) 24 24 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle) 25 25 #define paramvalids \ -
src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (double)(Vector) 19 19 #define paramtokens ("select-atoms-inside-sphere")("position") -
src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/SelectionAction/Atoms/AtomByElementAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (const element*) 17 17 #define paramtokens ("select-atom-by-element") -
src/Actions/SelectionAction/Atoms/AtomByIdAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (atomId_t) 17 17 #define paramtokens ("select-atom-by-id") -
src/Actions/SelectionAction/Atoms/AtomByOrderAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (int) 17 17 #define paramtokens ("select-atom-by-order") -
src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Atoms/InvertAtomsAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def
rab2ebe1 r6ba9ba 18 18 // i.e. there is an integer with variable name Z that can be found in 19 19 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 20 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value20 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 21 21 #define paramtypes (Vector)(Vector)(double)(double)(double) 22 22 #define paramtokens ("unselect-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z") 23 23 #define paramdescriptions ("dimension of cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis") 24 #define paramdefaults (NO DEFAULT)(NODEFAULT)("0.")("0.")("0.")24 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.)) 25 25 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle) 26 26 #define paramvalids \ -
src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (double)(Vector) 19 19 #define paramtokens ("unselect-atoms-inside-sphere")("position") -
src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (const element*) 17 17 #define paramtokens ("unselect-atom-by-element") -
src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (atomId_t) 17 17 #define paramtokens ("unselect-atom-by-id") -
src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (int) 17 17 #define paramtokens ("unselect-atom-by-order") -
src/Actions/SelectionAction/Molecules/AllMoleculesAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Molecules/InvertMoleculesAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("select-molecules-by-formula") -
src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (moleculeId_t) 17 17 #define paramtokens ("select-molecule-by-id") -
src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (std::string) 19 19 #define paramtokens ("select-molecules-by-name") -
src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (int) 17 17 #define paramtokens ("select-molecule-by-order") -
src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("unselect-molecules-by-formula") -
src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (moleculeId_t) 17 17 #define paramtokens ("unselect-molecule-by-id") -
src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("unselect-molecules-by-name") -
src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (int) 17 17 #define paramtokens ("unselect-molecule-by-order") -
src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramtokens -
src/Actions/TesselationAction/ConvexEnvelopeAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (boost::filesystem::path)(boost::filesystem::path) 18 18 #define paramtokens ("convex-file")("nonconvex-file") -
src/Actions/TesselationAction/NonConvexEnvelopeAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (double)(boost::filesystem::path) 19 19 #define paramtokens ("nonconvex-envelope")("nonconvex-file") -
src/Actions/UndoAction.def
rab2ebe1 r6ba9ba 12 12 // i.e. there is an integer with variable name Z that can be found in 13 13 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 14 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value14 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 15 15 #undef paramtypes 16 16 #undef paramreferences -
src/Actions/WorldAction/AddEmptyBoundaryAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (Vector) 19 19 #define paramtokens ("add-empty-boundary") -
src/Actions/WorldAction/BoundInBoxAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #undef paramtypes 19 19 #undef paramtokens -
src/Actions/WorldAction/CenterInBoxAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (RealSpaceMatrix) 19 19 #define paramtokens ("center-in-box") -
src/Actions/WorldAction/CenterOnEdgeAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #undef paramtypes 17 17 #undef paramtokens -
src/Actions/WorldAction/ChangeBoxAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (RealSpaceMatrix) 19 19 #define paramtokens ("change-box") -
src/Actions/WorldAction/InputAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (boost::filesystem::path) 17 17 #define paramtokens ("input") -
src/Actions/WorldAction/OutputAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (boost::filesystem::path) 19 19 #define paramtokens ("output") -
src/Actions/WorldAction/RepeatBoxAction.def
rab2ebe1 r6ba9ba 19 19 // i.e. there is an integer with variable name Z that can be found in 20 20 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 21 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value21 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 22 22 #define paramtypes (std::vector< unsigned int >) 23 23 #define paramtokens ("repeat-box") -
src/Actions/WorldAction/ScaleBoxAction.def
rab2ebe1 r6ba9ba 14 14 // i.e. there is an integer with variable name Z that can be found in 15 15 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 16 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value16 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 17 17 #define paramtypes (Vector) 18 18 #define paramtokens ("scale-box") -
src/Actions/WorldAction/SetBoundaryConditionsAction.def
rab2ebe1 r6ba9ba 15 15 // i.e. there is an integer with variable name Z that can be found in 16 16 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 17 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value17 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 18 18 #define paramtypes (std::vector< std::string >) 19 19 #define paramtokens ("set-boundary-conditions") -
src/Actions/WorldAction/SetDefaultNameAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (std::string) 17 17 #define paramtokens ("default-molname") -
src/Actions/WorldAction/SetWorldTimeAction.def
rab2ebe1 r6ba9ba 13 13 // i.e. there is an integer with variable name Z that can be found in 14 14 // ValueStorage by the token "Z" -> first column: int, Z, "Z" 15 // "undefine" if no parameters are required, use (NO DEFAULT) for each (undefined) default value15 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value 16 16 #define paramtypes (unsigned int) 17 17 #define paramtokens ("set-world-time") 18 18 #define paramdescriptions ("new time step") 19 #define paramdefaults ( "0")19 #define paramdefaults (PARAM_DEFAULT(0)) 20 20 #define paramreferences (newtime) 21 21 #define paramvalids \ -
src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp
rab2ebe1 r6ba9ba 36 36 } 37 37 38 return (_value < maxTime);38 return (_value <= maxTime); 39 39 } 40 40
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