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  • src/Actions/MapOfActions.cpp

    r326bbe r4f7f34e  
    2222#include "verbose.hpp"
    2323
    24 #include "Actions/ActionRegistry.hpp"
    25 #include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
    26 #include "Actions/AnalysisAction/PairCorrelationAction.hpp"
    27 #include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
    28 #include "Actions/AtomAction/AddAction.hpp"
    29 #include "Actions/AtomAction/ChangeElementAction.hpp"
    30 #include "Actions/AtomAction/RemoveAction.hpp"
    31 #include "Actions/CmdAction/BondLengthTableAction.hpp"
    32 #include "Actions/CmdAction/ElementDbAction.hpp"
    33 #include "Actions/CmdAction/FastParsingAction.hpp"
    34 #include "Actions/CmdAction/HelpAction.hpp"
    35 #include "Actions/CmdAction/VerboseAction.hpp"
    36 #include "Actions/CmdAction/VersionAction.hpp"
    37 #include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
    38 #include "Actions/FragmentationAction/SubgraphDissectionAction.hpp"
    39 #include "Actions/FragmentationAction/FragmentationAction.hpp"
    40 #include "Actions/MoleculeAction/BondFileAction.hpp"
    41 #include "Actions/MoleculeAction/ChangeNameAction.hpp"
    42 #include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
    43 #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
    44 #include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
    45 #include "Actions/MoleculeAction/SaveBondsAction.hpp"
    46 #include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
    47 #include "Actions/MoleculeAction/TranslateAction.hpp"
    48 #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
    49 #include "Actions/ParserAction/LoadXyzAction.hpp"
    50 #include "Actions/ParserAction/SaveXyzAction.hpp"
    51 #include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
    52 #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
    53 #include "Actions/WorldAction/AddEmptyBoundaryAction.hpp"
    54 #include "Actions/WorldAction/BoundInBoxAction.hpp"
    55 #include "Actions/WorldAction/CenterInBoxAction.hpp"
    56 #include "Actions/WorldAction/CenterOnEdgeAction.hpp"
    57 #include "Actions/WorldAction/ChangeBoxAction.hpp"
    58 #include "Actions/WorldAction/InputAction.hpp"
    59 #include "Actions/WorldAction/OutputAction.hpp"
    60 #include "Actions/WorldAction/RemoveSphereOfAtomsAction.hpp"
    61 #include "Actions/WorldAction/RepeatBoxAction.hpp"
    62 #include "Actions/WorldAction/ScaleBoxAction.hpp"
    63 #include "Actions/WorldAction/SetDefaultNameAction.hpp"
    64 #include "Actions/WorldAction/SetGaussianBasisAction.hpp"
    6524#include "Actions/Values.hpp"
    6625
     
    14099  DescriptionMap["save-bonds"] = "name of the bonds file to write to";
    141100  DescriptionMap["save-temperature"] = "name of the temperature file to write to";
    142   DescriptionMap["SaveXyz"] = "save world as xyz file";
    143101  DescriptionMap["scale-box"] = "scale box and atomic positions inside";
    144102  DescriptionMap["subgraph-dissect"] = "dissect the molecular system into molecules representing disconnected subgraphs";
     
    287245  DefaultValue["periodic"] = "0";
    288246
    289   // put action into each menu category
    290   MenuContainsActionMap.insert( pair<std::string, std::string> ("analysis", "molecular-volume") );
    291   MenuContainsActionMap.insert( pair<std::string, std::string> ("analysis", "pair-correlation") );
    292   MenuContainsActionMap.insert( pair<std::string, std::string> ("analysis", "principal-axis-system") );
    293 
    294   MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "add-atom") );
    295   MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "change-element") );
    296   MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "remove-atom") );
    297 
    298   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "bond-table") );
    299   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "element-db") );
    300   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "fastparsing") );
    301   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "verbose") );
    302   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "version") );
    303 
    304   MenuContainsActionMap.insert( pair<std::string, std::string> ("fragmentation", "depth-first-search") );
    305   MenuContainsActionMap.insert( pair<std::string, std::string> ("fragmentation", "fragment-mol") );
    306   MenuContainsActionMap.insert( pair<std::string, std::string> ("fragmentation", "subgraph-dissect") );
    307 
    308   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "bond-file") );
    309   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "change-molname") );
    310   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "fill-molecule") );
    311   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "linear-interpolate") );
    312   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "rotate-to-pas") );
    313   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "save-adjacency") );
    314   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "save-bonds") );
    315   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "save-temperature") );
    316   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "suspend-in-water") );
    317   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "translate-mol") );
    318   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "verlet-integrate") );
    319 
    320   MenuContainsActionMap.insert( pair<std::string, std::string> ("parser", "parse-xyz") );
    321   MenuContainsActionMap.insert( pair<std::string, std::string> ("parser", "SaveXyz") );
    322 
    323   MenuContainsActionMap.insert( pair<std::string, std::string> ("tesselation", "convex-envelope") );
    324   MenuContainsActionMap.insert( pair<std::string, std::string> ("tesselation", "nonconvex-envelope") );
    325 
    326   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "boundary") );
    327   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "bound-in-box") );
    328   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "center-in-box") );
    329   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "center-edge") );
    330   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "change-box") );
    331   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "input") );
    332   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "output") );
    333   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "remove-sphere") );
    334   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "repeat-box") );
    335   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "scale-box") );
    336   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "default-molname") );
    337   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "set-basis") );
    338 
    339   // put actions into command line category
     247
     248  // list of generic actions
    340249        generic.insert("add-atom");
    341250  generic.insert("bond-file");
     
    419328}
    420329
    421 
    422 void MapOfActions::populateActions()
    423 {
    424   new AnalysisMolecularVolumeAction();
    425   new AnalysisPairCorrelationAction();
    426   new AnalysisPrincipalAxisSystemAction();
    427 
    428   new AtomAddAction();
    429   new AtomChangeElementAction();
    430   new AtomRemoveAction();
    431 
    432   new CommandLineBondLengthTableAction();
    433   new CommandLineElementDbAction();
    434   new CommandLineFastParsingAction();
    435   new CommandLineHelpAction();
    436   new CommandLineVerboseAction();
    437   new CommandLineVersionAction();
    438 
    439   new FragmentationDepthFirstSearchAction();
    440   new FragmentationFragmentationAction();
    441   new FragmentationSubgraphDissectionAction();
    442 
    443   new MoleculeBondFileAction();
    444   new MoleculeChangeNameAction();
    445   new MoleculeFillWithMoleculeAction();
    446   new MoleculeLinearInterpolationofTrajectoriesAction();
    447   new MoleculeSaveAdjacencyAction();
    448   new MoleculeSaveBondsAction();
    449   new MoleculeSaveTemperatureAction();
    450   new MoleculeTranslateAction();
    451   new MoleculeVerletIntegrationAction();
    452 
    453   new ParserLoadXyzAction();
    454   new ParserSaveXyzAction();
    455 
    456   new TesselationConvexEnvelopeAction();
    457   new TesselationNonConvexEnvelopeAction();
    458 
    459   new WorldAddEmptyBoundaryAction();
    460   new WorldBoundInBoxAction();
    461   new WorldCenterInBoxAction();
    462   new WorldCenterOnEdgeAction();
    463   new WorldChangeBoxAction();
    464   new WorldInputAction();
    465   new WorldOutputAction();
    466   new WorldRemoveSphereOfAtomsAction();
    467   new WorldRepeatBoxAction();
    468   new WorldScaleBoxAction();
    469   new WorldSetDefaultNameAction();
    470   new WorldSetGaussianBasisAction();
    471 }
    472 
    473 
    474330/** Adds all options to the CommandLineParser.
    475331 *
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