source: src/Actions/GlobalListOfActions.hpp@ 2312fc6

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 2312fc6 was 73a5f7, checked in by Frederik Heber <heber@…>, 8 years ago

Added parsing and saving of fragment results container state.

  • TEST: Added regression test on saving and parsing results, including undo and redo tests.
  • DOCU: Both actions are fully documented.
  • Property mode set to 100644
File size: 5.4 KB
RevLine 
[83e90c]1/*
2 * GlobalListOfActions.hpp
3 *
4 * Created on: Sep 21, 2011
5 * Author: heber
6 */
7
8#ifndef GLOBALLISTOFACTIONS_HPP_
9#define GLOBALLISTOFACTIONS_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
[004d5c]16#include <boost/preprocessor/seq/push_back.hpp>
[975b83]17#include <boost/preprocessor/seq/remove.hpp>
[004d5c]18
19// this is global list of actions valid for all cases
[442495]20// PLEASE adhere to the alphabetical ordering of the list of Actions
21// NOTE that Redo must remain at the front due to technical reasons
[004d5c]22#define GLOBALLISTOFACTIONS_initial \
23 (Redo) \
[f4b626a]24 (AnalysisAverageMoleculeForce) \
[442495]25 (AnalysisDipoleAngularCorrelation) \
26 (AnalysisDipoleCorrelation) \
27 (AnalysisMolecularVolume) \
28 (AnalysisPairCorrelation) \
29 (AnalysisPointCorrelation) \
30 (AnalysisPrincipalAxisSystem) \
31 (AnalysisSurfaceCorrelation) \
32 (AtomAdd) \
33 (AtomChangeElement) \
[bbf6dc]34 (AtomMirror) \
[442495]35 (AtomRemove) \
36 (AtomRotateAroundOriginByAngle) \
[2fcef3]37 (AtomSaturate) \
[442495]38 (AtomSaveSelectedAtoms) \
39 (AtomTranslate) \
[c7fe90]40 (AtomTranslateToOrigin) \
[442495]41 (BondAdd) \
42 (BondRemove) \
[f3db60]43 (CommandDryRun) \
[442495]44 (CommandElementDb) \
45 (CommandBondLengthTable) \
46 (CommandFastParsing) \
47 (CommandHelp) \
48 (CommandHelpRedistribute) \
[f3db60]49 (CommandNoDryRun) \
[442495]50 (CommandSetRandomNumbersEngine) \
51 (CommandSetRandomNumbersDistribution) \
52 (CommandStoreSession) \
53 (CommandVerbose) \
54 (CommandVersion) \
55 (CommandWarranty) \
56 (FillRegularGrid) \
57 (FillSurface) \
[aa55d0]58 (FillSuspendInMolecule) \
[6801f4]59 (FillVolume) \
[442495]60 (FragmentationAnalyseFragmentationResults) \
61 (FragmentationClearFragmentationResults) \
62 (FragmentationFragmentation) \
63 (FragmentationFragmentationAutomation) \
64 (FragmentationMolecularDynamics) \
65 (FragmentationParseFragmentJobs) \
[73a5f7]66 (FragmentationParseFragmentResults) \
67 (FragmentationSaveFragmentResults) \
[442495]68 (FragmentationStoreSaturatedFragment) \
[e5f61ba]69 (FragmentationStructuralOptimization) \
[22b786]70 (GraphUpdateMolecules) \
[343c5a]71 (GraphCorrectBondDegree) \
[004d5c]72 (GraphCreateAdjacency) \
73 (GraphDepthFirstSearch) \
[560cbf]74 (GraphDestroyAdjacency) \
[22b786]75 (GraphSubgraphDissection) \
[442495]76 (MoleculeBondFile) \
77 (MoleculeChangeName) \
78 (MoleculeChangeBondAngle) \
[004d5c]79 (MoleculeCopy) \
[1a48d2]80 (MoleculeForceAnnealing) \
[442495]81 (MoleculeLinearInterpolationofTrajectories) \
82 (MoleculeLoad) \
[867473]83 (MoleculeRemove) \
[004d5c]84 (MoleculeRotateAroundSelfByAngle) \
[442495]85 (MoleculeRotateToPrincipalAxisSystem) \
86 (MoleculeSaveAdjacency) \
[004d5c]87 (MoleculeSaveBonds) \
[442495]88 (MoleculeSaveSelectedMolecules) \
89 (MoleculeSaveTemperature) \
[3a51bd]90 (MoleculeStretchBond) \
[066442]91 (MoleculeTranslate) \
[442495]92 (MoleculeVerletIntegration) \
[50d49d]93 (PotentialFitPartialCharges) \
[78202b]94 (PotentialParseAtomFragments) \
[442495]95 (PotentialParseHomologies) \
[2082637]96 (PotentialParseParticleParameters) \
[f1eabd]97 (PotentialParsePotentials) \
[78202b]98 (PotentialSaveAtomFragments) \
[442495]99 (PotentialSaveHomologies) \
[2082637]100 (PotentialSaveParticleParameters) \
[0ea063]101 (PotentialSavePotentials) \
[004d5c]102 (ParserSaveSelectedAtomsAsExtTypes) \
103 (ParserSetParserParameters) \
104 (ParserSetOutputFormats) \
[442495]105 (ParserSetTremoloAtomdata) \
[004d5c]106 (Undo) \
[442495]107 (SelectionAllAtoms) \
108 (SelectionAllAtomsInsideVolume) \
109 (SelectionAllAtomsOfMolecule) \
[004d5c]110 (SelectionAllMolecules) \
[442495]111 (SelectionAllShapes) \
112 (SelectionAtomByElement) \
113 (SelectionAtomById) \
114 (SelectionAtomByOrder) \
115 (SelectionClearAllAtoms) \
[004d5c]116 (SelectionClearAllMolecules) \
[442495]117 (SelectionInvertAtoms) \
[ebc499]118 (SelectionInvertMolecules) \
[442495]119 (SelectionMoleculeOfAtom) \
[004d5c]120 (SelectionMoleculeByFormula) \
[442495]121 (SelectionMoleculeById) \
122 (SelectionMoleculeByName) \
123 (SelectionMoleculeByOrder) \
[004d5c]124 (SelectionNotAllAtoms) \
[eff536]125 (SelectionNotAllAtomsInsideVolume) \
[004d5c]126 (SelectionNotAllAtomsOfMolecule) \
[442495]127 (SelectionNotAllMolecules) \
[a27dcb]128 (SelectionNotAllShapes) \
[442495]129 (SelectionNotAtomById) \
130 (SelectionNotAtomByElement) \
131 (SelectionNotAtomByOrder) \
132 (SelectionNotMoleculeOfAtom) \
133 (SelectionNotMoleculeByFormula) \
134 (SelectionNotMoleculeById) \
135 (SelectionNotMoleculeByName) \
136 (SelectionNotMoleculeByOrder) \
[2c004d]137 (SelectionNotShapeByName) \
[3213f2]138 (SelectionPopAtoms) \
139 (SelectionPushAtoms) \
[a84e8d]140 (SelectionPopMolecules) \
141 (SelectionPushMolecules) \
[442495]142 (SelectionShapeByName) \
[d475a6]143 (ShapeCombineShapes) \
[f20da5]144 (ShapeCreateShape) \
[0b5057]145 (ShapeRemoveShape) \
[a2bbb1]146 (ShapeRotateShape) \
[29ea65]147 (ShapeStretchShape) \
[442495]148 (ShapeTranslateShape) \
149 (TesselationConvexEnvelope) \
150 (TesselationNonConvexEnvelope) \
151 (WorldAddEmptyBoundary) \
152 (WorldBoundInBox) \
153 (WorldCenterInBox) \
154 (WorldCenterOnEdge) \
155 (WorldChangeBox) \
156 (WorldInput) \
157 (WorldOutput) \
158 (WorldOutputAs) \
159 (WorldRepeatBox) \
160 (WorldScaleBox) \
161 (WorldSetBoundaryConditions) \
162 (WorldSetDefaultName) \
163 (WorldSetWorldTime)
[004d5c]164
[786d28]165// extend list of actions in case levmar is available
[48d20d]166#ifdef HAVE_LEVMAR
167#define GLOBALLISTOFACTIONS_LEVMAR \
168 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]169 BOOST_PP_SEQ_PUSH_BACK( \
170 GLOBALLISTOFACTIONS_initial, \
171 PotentialFitPotential \
172 ), \
173 PotentialFitCompoundPotential \
[48d20d]174 )
175#else
176#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]177 GLOBALLISTOFACTIONS_initial
[48d20d]178#endif /* HAVE_LEVMAR */
179
180// define final list
[0d4168]181#ifdef HAVE_PYTHON
182#define GLOBALLISTOFACTIONS_PYTHON \
183 BOOST_PP_SEQ_PUSH_BACK( \
184 GLOBALLISTOFACTIONS_LEVMAR, \
185 CommandLoadSession \
186 )
187#else
188#define GLOBALLISTOFACTIONS_PYTHON \
189 GLOBALLISTOFACTIONS_LEVMAR
190#endif
191
192#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
193
194// define python list
195// skips CommandLoadSession as this causes dangerous infinite loops
196#define GLOBALLISTOFPYTHONACTIONS \
197 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]198
[83e90c]199#endif /* GLOBALLISTOFACTIONS_HPP_ */
200
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