source: src/Actions/GlobalListOfActions.hpp@ 9a3882

ForceAnnealing_oldresults IndependentFragmentGrids_IntegrationTest
Last change on this file since 9a3882 was 3f6aac, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added (Un)selectAtomByName.

  • Descriptor for AtomByName was already present.
  • TESTS: also added regression test.
  • Property mode set to 100644
File size: 5.7 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) \
[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) \
54 (CommandStoreSession) \
55 (CommandVerbose) \
56 (CommandVersion) \
57 (CommandWarranty) \
58 (FillRegularGrid) \
59 (FillSurface) \
[aa55d0]60 (FillSuspendInMolecule) \
[6801f4]61 (FillVolume) \
[442495]62 (FragmentationAnalyseFragmentationResults) \
63 (FragmentationClearFragmentationResults) \
64 (FragmentationFragmentation) \
65 (FragmentationFragmentationAutomation) \
66 (FragmentationMolecularDynamics) \
67 (FragmentationParseFragmentJobs) \
[73a5f7]68 (FragmentationParseFragmentResults) \
69 (FragmentationSaveFragmentResults) \
[442495]70 (FragmentationStoreSaturatedFragment) \
[e5f61ba]71 (FragmentationStructuralOptimization) \
[987145]72 (GeometryDistanceToVector) \
73 (GeometryInputToVector) \
74 (GeometryPlaneToVector) \
75 (GeometryPositionToVector) \
[836972]76 (GeometryRemove) \
[22b786]77 (GraphUpdateMolecules) \
[343c5a]78 (GraphCorrectBondDegree) \
[004d5c]79 (GraphCreateAdjacency) \
80 (GraphDepthFirstSearch) \
[560cbf]81 (GraphDestroyAdjacency) \
[22b786]82 (GraphSubgraphDissection) \
[442495]83 (MoleculeBondFile) \
84 (MoleculeChangeName) \
85 (MoleculeChangeBondAngle) \
[004d5c]86 (MoleculeCopy) \
[1a48d2]87 (MoleculeForceAnnealing) \
[442495]88 (MoleculeLinearInterpolationofTrajectories) \
89 (MoleculeLoad) \
[867473]90 (MoleculeRemove) \
[788dce]91 (MoleculeRotateAroundBond) \
[004d5c]92 (MoleculeRotateAroundSelfByAngle) \
[442495]93 (MoleculeRotateToPrincipalAxisSystem) \
94 (MoleculeSaveAdjacency) \
[004d5c]95 (MoleculeSaveBonds) \
[442495]96 (MoleculeSaveSelectedMolecules) \
97 (MoleculeSaveTemperature) \
[3a51bd]98 (MoleculeStretchBond) \
[066442]99 (MoleculeTranslate) \
[442495]100 (MoleculeVerletIntegration) \
[50d49d]101 (PotentialFitPartialCharges) \
[78202b]102 (PotentialParseAtomFragments) \
[442495]103 (PotentialParseHomologies) \
[2082637]104 (PotentialParseParticleParameters) \
[f1eabd]105 (PotentialParsePotentials) \
[78202b]106 (PotentialSaveAtomFragments) \
[442495]107 (PotentialSaveHomologies) \
[2082637]108 (PotentialSaveParticleParameters) \
[0ea063]109 (PotentialSavePotentials) \
[004d5c]110 (ParserSaveSelectedAtomsAsExtTypes) \
111 (ParserSetParserParameters) \
112 (ParserSetOutputFormats) \
[442495]113 (ParserSetTremoloAtomdata) \
[004d5c]114 (Undo) \
[442495]115 (SelectionAllAtoms) \
116 (SelectionAllAtomsInsideVolume) \
117 (SelectionAllAtomsOfMolecule) \
[004d5c]118 (SelectionAllMolecules) \
[442495]119 (SelectionAllShapes) \
120 (SelectionAtomByElement) \
121 (SelectionAtomById) \
[3f6aac]122 (SelectionAtomByName) \
[442495]123 (SelectionAtomByOrder) \
124 (SelectionClearAllAtoms) \
[004d5c]125 (SelectionClearAllMolecules) \
[442495]126 (SelectionInvertAtoms) \
[ebc499]127 (SelectionInvertMolecules) \
[442495]128 (SelectionMoleculeOfAtom) \
[004d5c]129 (SelectionMoleculeByFormula) \
[442495]130 (SelectionMoleculeById) \
131 (SelectionMoleculeByName) \
132 (SelectionMoleculeByOrder) \
[004d5c]133 (SelectionNotAllAtoms) \
[eff536]134 (SelectionNotAllAtomsInsideVolume) \
[004d5c]135 (SelectionNotAllAtomsOfMolecule) \
[442495]136 (SelectionNotAllMolecules) \
[a27dcb]137 (SelectionNotAllShapes) \
[442495]138 (SelectionNotAtomByElement) \
[3f6aac]139 (SelectionNotAtomById) \
140 (SelectionNotAtomByName) \
[442495]141 (SelectionNotAtomByOrder) \
142 (SelectionNotMoleculeOfAtom) \
143 (SelectionNotMoleculeByFormula) \
144 (SelectionNotMoleculeById) \
145 (SelectionNotMoleculeByName) \
146 (SelectionNotMoleculeByOrder) \
[2c004d]147 (SelectionNotShapeByName) \
[3213f2]148 (SelectionPopAtoms) \
149 (SelectionPushAtoms) \
[a84e8d]150 (SelectionPopMolecules) \
151 (SelectionPushMolecules) \
[442495]152 (SelectionShapeByName) \
[d475a6]153 (ShapeCombineShapes) \
[f20da5]154 (ShapeCreateShape) \
[0b5057]155 (ShapeRemoveShape) \
[a2bbb1]156 (ShapeRotateShape) \
[29ea65]157 (ShapeStretchShape) \
[442495]158 (ShapeTranslateShape) \
159 (TesselationConvexEnvelope) \
160 (TesselationNonConvexEnvelope) \
161 (WorldAddEmptyBoundary) \
162 (WorldBoundInBox) \
163 (WorldCenterInBox) \
164 (WorldCenterOnEdge) \
165 (WorldChangeBox) \
166 (WorldInput) \
167 (WorldOutput) \
168 (WorldOutputAs) \
169 (WorldRepeatBox) \
170 (WorldScaleBox) \
171 (WorldSetBoundaryConditions) \
172 (WorldSetDefaultName) \
[72e40d0]173 (WorldSetWorldTime) \
174 (WorldStepWorldTime)
[004d5c]175
[786d28]176// extend list of actions in case levmar is available
[48d20d]177#ifdef HAVE_LEVMAR
178#define GLOBALLISTOFACTIONS_LEVMAR \
179 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]180 BOOST_PP_SEQ_PUSH_BACK( \
181 GLOBALLISTOFACTIONS_initial, \
182 PotentialFitPotential \
183 ), \
184 PotentialFitCompoundPotential \
[48d20d]185 )
186#else
187#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]188 GLOBALLISTOFACTIONS_initial
[48d20d]189#endif /* HAVE_LEVMAR */
190
191// define final list
[0d4168]192#ifdef HAVE_PYTHON
193#define GLOBALLISTOFACTIONS_PYTHON \
194 BOOST_PP_SEQ_PUSH_BACK( \
195 GLOBALLISTOFACTIONS_LEVMAR, \
196 CommandLoadSession \
197 )
198#else
199#define GLOBALLISTOFACTIONS_PYTHON \
200 GLOBALLISTOFACTIONS_LEVMAR
201#endif
202
203#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
204
205// define python list
206// skips CommandLoadSession as this causes dangerous infinite loops
207#define GLOBALLISTOFPYTHONACTIONS \
208 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]209
[83e90c]210#endif /* GLOBALLISTOFACTIONS_HPP_ */
211
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