source: src/Actions/GlobalListOfActions.hpp@ 91c409

Candidate_v1.7.0 stable
Last change on this file since 91c409 was a4b917, checked in by Frederik Heber <frederik.heber@…>, 6 weeks ago

Adds add and remove potential actions.

  • DOC: Adds missing actions to userguide.
  • TESTS: added actions test case with undo, redo and various cases.
  • Property mode set to 100644
File size: 6.0 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 \
[f4b626a]23 (AnalysisAverageMoleculeForce) \
[442495]24 (AnalysisDipoleAngularCorrelation) \
25 (AnalysisDipoleCorrelation) \
26 (AnalysisMolecularVolume) \
27 (AnalysisPairCorrelation) \
28 (AnalysisPointCorrelation) \
29 (AnalysisPrincipalAxisSystem) \
30 (AnalysisSurfaceCorrelation) \
31 (AtomAdd) \
[5fa1e86]32 (AtomBondify) \
[442495]33 (AtomChangeElement) \
[bbf6dc]34 (AtomMirror) \
[310445]35 (AtomRandomPerturbation) \
[442495]36 (AtomRemove) \
37 (AtomRotateAroundOriginByAngle) \
[2fcef3]38 (AtomSaturate) \
[442495]39 (AtomSaveSelectedAtoms) \
40 (AtomTranslate) \
[c7fe90]41 (AtomTranslateToOrigin) \
[442495]42 (BondAdd) \
43 (BondRemove) \
[2d1280]44 (BondSetDegree) \
[f3db60]45 (CommandDryRun) \
[442495]46 (CommandElementDb) \
47 (CommandBondLengthTable) \
48 (CommandFastParsing) \
49 (CommandHelp) \
50 (CommandHelpRedistribute) \
[f3db60]51 (CommandNoDryRun) \
[442495]52 (CommandSetRandomNumbersEngine) \
53 (CommandSetRandomNumbersDistribution) \
[bcc29ca]54 (CommandSetUndoMark) \
[442495]55 (CommandStoreSession) \
[bcc29ca]56 (CommandUndoTillMark) \
[442495]57 (CommandVerbose) \
58 (CommandVersion) \
59 (CommandWarranty) \
60 (FillRegularGrid) \
61 (FillSurface) \
[aa55d0]62 (FillSuspendInMolecule) \
[6801f4]63 (FillVolume) \
[442495]64 (FragmentationAnalyseFragmentationResults) \
65 (FragmentationClearFragmentationResults) \
[addb51]66 (FragmentationClearFragmentationState) \
[999eaf]67 (FragmentationEvaluateStability) \
[442495]68 (FragmentationFragmentation) \
69 (FragmentationFragmentationAutomation) \
70 (FragmentationMolecularDynamics) \
71 (FragmentationParseFragmentJobs) \
[73a5f7]72 (FragmentationParseFragmentResults) \
73 (FragmentationSaveFragmentResults) \
[442495]74 (FragmentationStoreSaturatedFragment) \
[e5f61ba]75 (FragmentationStructuralOptimization) \
[987145]76 (GeometryDistanceToVector) \
77 (GeometryInputToVector) \
78 (GeometryPlaneToVector) \
79 (GeometryPositionToVector) \
[836972]80 (GeometryRemove) \
[f5ea10]81 (GraphChemicalSpaceEvaluator) \
[22b786]82 (GraphUpdateMolecules) \
[343c5a]83 (GraphCorrectBondDegree) \
[004d5c]84 (GraphCreateAdjacency) \
85 (GraphDepthFirstSearch) \
[560cbf]86 (GraphDestroyAdjacency) \
[5061d9]87 (GraphPrintSelectedAtomsAsGraphString) \
[22b786]88 (GraphSubgraphDissection) \
[442495]89 (MoleculeBondFile) \
90 (MoleculeChangeName) \
91 (MoleculeChangeBondAngle) \
[004d5c]92 (MoleculeCopy) \
[1a48d2]93 (MoleculeForceAnnealing) \
[442495]94 (MoleculeLinearInterpolationofTrajectories) \
95 (MoleculeLoad) \
[867473]96 (MoleculeRemove) \
[788dce]97 (MoleculeRotateAroundBond) \
[004d5c]98 (MoleculeRotateAroundSelfByAngle) \
[442495]99 (MoleculeRotateToPrincipalAxisSystem) \
100 (MoleculeSaveAdjacency) \
[004d5c]101 (MoleculeSaveBonds) \
[442495]102 (MoleculeSaveSelectedMolecules) \
[d40189]103 (MoleculeSaveEnergies) \
[3a51bd]104 (MoleculeStretchBond) \
[066442]105 (MoleculeTranslate) \
[442495]106 (MoleculeVerletIntegration) \
[a4b917]107 (PotentialAddPotential) \
[d91a8f]108 (PotentialClearHomologies) \
[50d49d]109 (PotentialFitPartialCharges) \
[55c494]110 (PotentialGeneratePotentials) \
[78202b]111 (PotentialParseAtomFragments) \
[442495]112 (PotentialParseHomologies) \
[2082637]113 (PotentialParseParticleParameters) \
[f1eabd]114 (PotentialParsePotentials) \
[a4b917]115 (PotentialRemovePotential) \
[78202b]116 (PotentialSaveAtomFragments) \
[442495]117 (PotentialSaveHomologies) \
[2082637]118 (PotentialSaveParticleParameters) \
[0ea063]119 (PotentialSavePotentials) \
[004d5c]120 (ParserSaveSelectedAtomsAsExtTypes) \
121 (ParserSetParserParameters) \
122 (ParserSetOutputFormats) \
[442495]123 (ParserSetTremoloAtomdata) \
[bcc29ca]124 (Redo) \
[004d5c]125 (Undo) \
[442495]126 (SelectionAllAtoms) \
127 (SelectionAllAtomsInsideVolume) \
128 (SelectionAllAtomsOfMolecule) \
[004d5c]129 (SelectionAllMolecules) \
[442495]130 (SelectionAllShapes) \
[4de4f6]131 (SelectionAtomBondNeighbors) \
[442495]132 (SelectionAtomByElement) \
133 (SelectionAtomById) \
[3f6aac]134 (SelectionAtomByName) \
[442495]135 (SelectionAtomByOrder) \
[0ad4781]136 (SelectionAtomByRandom) \
[442495]137 (SelectionClearAllAtoms) \
[004d5c]138 (SelectionClearAllMolecules) \
[442495]139 (SelectionInvertAtoms) \
[ebc499]140 (SelectionInvertMolecules) \
[442495]141 (SelectionMoleculeOfAtom) \
[004d5c]142 (SelectionMoleculeByFormula) \
[442495]143 (SelectionMoleculeById) \
144 (SelectionMoleculeByName) \
145 (SelectionMoleculeByOrder) \
[004d5c]146 (SelectionNotAllAtoms) \
[eff536]147 (SelectionNotAllAtomsInsideVolume) \
[004d5c]148 (SelectionNotAllAtomsOfMolecule) \
[442495]149 (SelectionNotAllMolecules) \
[a27dcb]150 (SelectionNotAllShapes) \
[442495]151 (SelectionNotAtomByElement) \
[3f6aac]152 (SelectionNotAtomById) \
153 (SelectionNotAtomByName) \
[442495]154 (SelectionNotAtomByOrder) \
155 (SelectionNotMoleculeOfAtom) \
156 (SelectionNotMoleculeByFormula) \
157 (SelectionNotMoleculeById) \
158 (SelectionNotMoleculeByName) \
159 (SelectionNotMoleculeByOrder) \
[2c004d]160 (SelectionNotShapeByName) \
[3213f2]161 (SelectionPopAtoms) \
162 (SelectionPushAtoms) \
[a84e8d]163 (SelectionPopMolecules) \
164 (SelectionPushMolecules) \
[442495]165 (SelectionShapeByName) \
[d475a6]166 (ShapeCombineShapes) \
[f20da5]167 (ShapeCreateShape) \
[0b5057]168 (ShapeRemoveShape) \
[a2bbb1]169 (ShapeRotateShape) \
[29ea65]170 (ShapeStretchShape) \
[442495]171 (ShapeTranslateShape) \
172 (TesselationConvexEnvelope) \
173 (TesselationNonConvexEnvelope) \
174 (WorldAddEmptyBoundary) \
175 (WorldBoundInBox) \
176 (WorldCenterInBox) \
177 (WorldCenterOnEdge) \
178 (WorldChangeBox) \
179 (WorldInput) \
180 (WorldOutput) \
181 (WorldOutputAs) \
182 (WorldRepeatBox) \
183 (WorldScaleBox) \
184 (WorldSetBoundaryConditions) \
185 (WorldSetDefaultName) \
[72e40d0]186 (WorldSetWorldTime) \
187 (WorldStepWorldTime)
[004d5c]188
[786d28]189// extend list of actions in case levmar is available
[48d20d]190#ifdef HAVE_LEVMAR
191#define GLOBALLISTOFACTIONS_LEVMAR \
192 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]193 BOOST_PP_SEQ_PUSH_BACK( \
194 GLOBALLISTOFACTIONS_initial, \
195 PotentialFitPotential \
196 ), \
197 PotentialFitCompoundPotential \
[48d20d]198 )
199#else
200#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]201 GLOBALLISTOFACTIONS_initial
[48d20d]202#endif /* HAVE_LEVMAR */
203
204// define final list
[0d4168]205#ifdef HAVE_PYTHON
206#define GLOBALLISTOFACTIONS_PYTHON \
207 BOOST_PP_SEQ_PUSH_BACK( \
208 GLOBALLISTOFACTIONS_LEVMAR, \
209 CommandLoadSession \
210 )
211#else
212#define GLOBALLISTOFACTIONS_PYTHON \
213 GLOBALLISTOFACTIONS_LEVMAR
214#endif
215
216#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
217
218// define python list
219// skips CommandLoadSession as this causes dangerous infinite loops
220#define GLOBALLISTOFPYTHONACTIONS \
221 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]222
[83e90c]223#endif /* GLOBALLISTOFACTIONS_HPP_ */
224
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