Changeset e472eab for src/Actions
- Timestamp:
- Jul 25, 2010, 9:41:34 PM (15 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, 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:
- 521bbf
- Parents:
- 8d4aa1
- Location:
- src/Actions
- Files:
-
- 8 added
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/Makefile.am
r8d4aa1 re472eab 114 114 115 115 SELECTIONACTIONSOURCE = \ 116 SelectionAction/AllAtomsAction.cpp \ 117 SelectionAction/AllMoleculesAction.cpp \ 116 118 SelectionAction/AtomByIdAction.cpp \ 117 119 SelectionAction/MoleculeByIdAction.cpp \ 120 SelectionAction/NotAllAtomsAction.cpp \ 121 SelectionAction/NotAllMoleculesAction.cpp \ 118 122 SelectionAction/NotAtomByIdAction.cpp \ 119 123 SelectionAction/NotMoleculeByIdAction.cpp 120 124 SELECTIONACTIONHEADER = \ 125 SelectionAction/AllAtomsAction.hpp \ 126 SelectionAction/AllMoleculesAction.hpp \ 121 127 SelectionAction/AtomByIdAction.hpp \ 122 128 SelectionAction/MoleculeByIdAction.hpp \ 129 SelectionAction/NotAllAtomsAction.hpp \ 130 SelectionAction/NotAllMoleculesAction.hpp \ 123 131 SelectionAction/NotAtomByIdAction.hpp \ 124 132 SelectionAction/NotMoleculeByIdAction.hpp -
src/Actions/MapOfActions.cpp
r8d4aa1 re472eab 64 64 #include "Actions/ParserAction/LoadXyzAction.hpp" 65 65 #include "Actions/ParserAction/SaveXyzAction.hpp" 66 #include "Actions/SelectionAction/AllAtomsAction.hpp" 67 #include "Actions/SelectionAction/AllMoleculesAction.hpp" 66 68 #include "Actions/SelectionAction/AtomByIdAction.hpp" 67 69 #include "Actions/SelectionAction/MoleculeByIdAction.hpp" 70 #include "Actions/SelectionAction/NotAllAtomsAction.hpp" 71 #include "Actions/SelectionAction/NotAllMoleculesAction.hpp" 68 72 #include "Actions/SelectionAction/NotAtomByIdAction.hpp" 69 73 #include "Actions/SelectionAction/NotMoleculeByIdAction.hpp" … … 236 240 DescriptionMap["periodic"] = "system is constraint to periodic boundary conditions (y/n)"; 237 241 DescriptionMap["position"] = "position in R^3 space"; 242 DescriptionMap["select-all-atoms"] = "select all atoms"; 243 DescriptionMap["select-all-molecules"] = "select all molecules"; 238 244 DescriptionMap["select-atom-by-id"] = "select an atom by index"; 239 245 DescriptionMap["select-molecule-by-id"] = "select a molecule by index"; 240 246 DescriptionMap["start-step"] = "first or start step"; 247 DescriptionMap["unselect-all-atoms"] = "unselect all atoms"; 248 DescriptionMap["unselect-all-molecules"] = "unselect all molecules"; 241 249 DescriptionMap["unselect-atom-by-id"] = "unselect an atom by index"; 242 250 DescriptionMap["unselect-molecule-by-id"] = "unselect a molecule by index"; … … 343 351 TypeMap["periodic"] = &typeid(bool); 344 352 TypeMap["position"] = &typeid(VectorValue); 353 TypeMap["select-all-atoms"] = &typeid(void); 354 TypeMap["select-all-molecules"] = &typeid(void); 345 355 TypeMap["select-atom-by-id"] = &typeid(atom); 346 356 TypeMap["select-molecule-by-id"] = &typeid(molecule); 347 357 TypeMap["start-step"] = &typeid(int); 358 TypeMap["unselect-all-atoms"] = &typeid(void); 359 TypeMap["unselect-all-molecules"] = &typeid(void); 348 360 TypeMap["unselect-atom-by-id"] = &typeid(atom); 349 361 TypeMap["unselect-molecule-by-id"] = &typeid(molecule); … … 475 487 generic.insert("save-temperature"); 476 488 generic.insert("scale-box"); 489 generic.insert("select-all-atoms"); 490 generic.insert("select-all-molecules"); 491 generic.insert("select-atom-by-id"); 492 generic.insert("select-molecule-by-id"); 477 493 generic.insert("set-basis"); 478 494 generic.insert("set-output"); … … 480 496 generic.insert("suspend-in-water"); 481 497 generic.insert("translate-mol"); 498 generic.insert("unselect-all-atoms"); 499 generic.insert("unselect-all-molecules"); 500 generic.insert("unselect-atom-by-id"); 501 generic.insert("unselect-molecule-by-id"); 482 502 generic.insert("verbose"); 483 503 generic.insert("verlet-integrate"); … … 507 527 hidden.insert("periodic"); 508 528 hidden.insert("position"); 509 hidden.insert("select-atom-by-id");510 hidden.insert("select-molecule-by-id");511 529 hidden.insert("start-step"); 512 hidden.insert("unselect-atom-by-id");513 hidden.insert("unselect-molecule-by-id");514 530 } 515 531 … … 790 806 new ParserSaveXyzAction(); 791 807 808 new SelectionAllAtomsAction(); 809 new SelectionAllMoleculesAction(); 792 810 new SelectionAtomByIdAction(); 793 811 new SelectionMoleculeByIdAction(); 812 new SelectionNotAllAtomsAction(); 813 new SelectionNotAllMoleculesAction(); 794 814 new SelectionNotAtomByIdAction(); 795 815 new SelectionNotMoleculeByIdAction();
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