source: src/Actions/GlobalListOfActions.hpp@ 05a2c5

ForceAnnealing_goodresults ForceAnnealing_tocheck
Last change on this file since 05a2c5 was 9a1e35c, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added RotateAroundBondAction.

  • TESTS: added regression test.
  • DOCU: added explanation to userguide.
  • 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) \
[2d1280]43 (BondSetDegree) \
[f3db60]44 (CommandDryRun) \
[442495]45 (CommandElementDb) \
46 (CommandBondLengthTable) \
47 (CommandFastParsing) \
48 (CommandHelp) \
49 (CommandHelpRedistribute) \
[f3db60]50 (CommandNoDryRun) \
[442495]51 (CommandSetRandomNumbersEngine) \
52 (CommandSetRandomNumbersDistribution) \
53 (CommandStoreSession) \
54 (CommandVerbose) \
55 (CommandVersion) \
56 (CommandWarranty) \
57 (FillRegularGrid) \
58 (FillSurface) \
[aa55d0]59 (FillSuspendInMolecule) \
[6801f4]60 (FillVolume) \
[442495]61 (FragmentationAnalyseFragmentationResults) \
62 (FragmentationClearFragmentationResults) \
63 (FragmentationFragmentation) \
64 (FragmentationFragmentationAutomation) \
65 (FragmentationMolecularDynamics) \
66 (FragmentationParseFragmentJobs) \
[73a5f7]67 (FragmentationParseFragmentResults) \
68 (FragmentationSaveFragmentResults) \
[442495]69 (FragmentationStoreSaturatedFragment) \
[e5f61ba]70 (FragmentationStructuralOptimization) \
[22b786]71 (GraphUpdateMolecules) \
[343c5a]72 (GraphCorrectBondDegree) \
[004d5c]73 (GraphCreateAdjacency) \
74 (GraphDepthFirstSearch) \
[560cbf]75 (GraphDestroyAdjacency) \
[22b786]76 (GraphSubgraphDissection) \
[442495]77 (MoleculeBondFile) \
78 (MoleculeChangeName) \
79 (MoleculeChangeBondAngle) \
[004d5c]80 (MoleculeCopy) \
[1a48d2]81 (MoleculeForceAnnealing) \
[442495]82 (MoleculeLinearInterpolationofTrajectories) \
83 (MoleculeLoad) \
[867473]84 (MoleculeRemove) \
[9a1e35c]85 (MoleculeRotateAroundBond) \
[004d5c]86 (MoleculeRotateAroundSelfByAngle) \
[442495]87 (MoleculeRotateToPrincipalAxisSystem) \
88 (MoleculeSaveAdjacency) \
[004d5c]89 (MoleculeSaveBonds) \
[442495]90 (MoleculeSaveSelectedMolecules) \
91 (MoleculeSaveTemperature) \
[3a51bd]92 (MoleculeStretchBond) \
[066442]93 (MoleculeTranslate) \
[442495]94 (MoleculeVerletIntegration) \
[50d49d]95 (PotentialFitPartialCharges) \
[78202b]96 (PotentialParseAtomFragments) \
[442495]97 (PotentialParseHomologies) \
[2082637]98 (PotentialParseParticleParameters) \
[f1eabd]99 (PotentialParsePotentials) \
[78202b]100 (PotentialSaveAtomFragments) \
[442495]101 (PotentialSaveHomologies) \
[2082637]102 (PotentialSaveParticleParameters) \
[0ea063]103 (PotentialSavePotentials) \
[004d5c]104 (ParserSaveSelectedAtomsAsExtTypes) \
105 (ParserSetParserParameters) \
106 (ParserSetOutputFormats) \
[442495]107 (ParserSetTremoloAtomdata) \
[004d5c]108 (Undo) \
[442495]109 (SelectionAllAtoms) \
110 (SelectionAllAtomsInsideVolume) \
111 (SelectionAllAtomsOfMolecule) \
[004d5c]112 (SelectionAllMolecules) \
[442495]113 (SelectionAllShapes) \
114 (SelectionAtomByElement) \
115 (SelectionAtomById) \
116 (SelectionAtomByOrder) \
117 (SelectionClearAllAtoms) \
[004d5c]118 (SelectionClearAllMolecules) \
[442495]119 (SelectionInvertAtoms) \
[ebc499]120 (SelectionInvertMolecules) \
[442495]121 (SelectionMoleculeOfAtom) \
[004d5c]122 (SelectionMoleculeByFormula) \
[442495]123 (SelectionMoleculeById) \
124 (SelectionMoleculeByName) \
125 (SelectionMoleculeByOrder) \
[004d5c]126 (SelectionNotAllAtoms) \
[eff536]127 (SelectionNotAllAtomsInsideVolume) \
[004d5c]128 (SelectionNotAllAtomsOfMolecule) \
[442495]129 (SelectionNotAllMolecules) \
[a27dcb]130 (SelectionNotAllShapes) \
[442495]131 (SelectionNotAtomById) \
132 (SelectionNotAtomByElement) \
133 (SelectionNotAtomByOrder) \
134 (SelectionNotMoleculeOfAtom) \
135 (SelectionNotMoleculeByFormula) \
136 (SelectionNotMoleculeById) \
137 (SelectionNotMoleculeByName) \
138 (SelectionNotMoleculeByOrder) \
[2c004d]139 (SelectionNotShapeByName) \
[3213f2]140 (SelectionPopAtoms) \
141 (SelectionPushAtoms) \
[a84e8d]142 (SelectionPopMolecules) \
143 (SelectionPushMolecules) \
[442495]144 (SelectionShapeByName) \
[d475a6]145 (ShapeCombineShapes) \
[f20da5]146 (ShapeCreateShape) \
[0b5057]147 (ShapeRemoveShape) \
[a2bbb1]148 (ShapeRotateShape) \
[29ea65]149 (ShapeStretchShape) \
[442495]150 (ShapeTranslateShape) \
151 (TesselationConvexEnvelope) \
152 (TesselationNonConvexEnvelope) \
153 (WorldAddEmptyBoundary) \
154 (WorldBoundInBox) \
155 (WorldCenterInBox) \
156 (WorldCenterOnEdge) \
157 (WorldChangeBox) \
158 (WorldInput) \
159 (WorldOutput) \
160 (WorldOutputAs) \
161 (WorldRepeatBox) \
162 (WorldScaleBox) \
163 (WorldSetBoundaryConditions) \
164 (WorldSetDefaultName) \
[72e40d0]165 (WorldSetWorldTime) \
166 (WorldStepWorldTime)
[004d5c]167
[786d28]168// extend list of actions in case levmar is available
[48d20d]169#ifdef HAVE_LEVMAR
170#define GLOBALLISTOFACTIONS_LEVMAR \
171 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]172 BOOST_PP_SEQ_PUSH_BACK( \
173 GLOBALLISTOFACTIONS_initial, \
174 PotentialFitPotential \
175 ), \
176 PotentialFitCompoundPotential \
[48d20d]177 )
178#else
179#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]180 GLOBALLISTOFACTIONS_initial
[48d20d]181#endif /* HAVE_LEVMAR */
182
183// define final list
[0d4168]184#ifdef HAVE_PYTHON
185#define GLOBALLISTOFACTIONS_PYTHON \
186 BOOST_PP_SEQ_PUSH_BACK( \
187 GLOBALLISTOFACTIONS_LEVMAR, \
188 CommandLoadSession \
189 )
190#else
191#define GLOBALLISTOFACTIONS_PYTHON \
192 GLOBALLISTOFACTIONS_LEVMAR
193#endif
194
195#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
196
197// define python list
198// skips CommandLoadSession as this causes dangerous infinite loops
199#define GLOBALLISTOFPYTHONACTIONS \
200 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]201
[83e90c]202#endif /* GLOBALLISTOFACTIONS_HPP_ */
203
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