source: src/Actions/GlobalListOfActions.hpp@ ea30e6

Candidate_v1.7.0 stable
Last change on this file since ea30e6 was 4de4f6, checked in by Frederik Heber <frederik.heber@…>, 5 years ago

Added AtomBondNeighbors selection action.

  • DOCU: Added to userguide.
  • TEST: Added regression test case.
  • Property mode set to 100644
File size: 5.8 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) \
[addb51]64 (FragmentationClearFragmentationState) \
[442495]65 (FragmentationFragmentation) \
66 (FragmentationFragmentationAutomation) \
67 (FragmentationMolecularDynamics) \
68 (FragmentationParseFragmentJobs) \
[73a5f7]69 (FragmentationParseFragmentResults) \
70 (FragmentationSaveFragmentResults) \
[442495]71 (FragmentationStoreSaturatedFragment) \
[e5f61ba]72 (FragmentationStructuralOptimization) \
[987145]73 (GeometryDistanceToVector) \
74 (GeometryInputToVector) \
75 (GeometryPlaneToVector) \
76 (GeometryPositionToVector) \
[836972]77 (GeometryRemove) \
[f5ea10]78 (GraphChemicalSpaceEvaluator) \
[22b786]79 (GraphUpdateMolecules) \
[343c5a]80 (GraphCorrectBondDegree) \
[004d5c]81 (GraphCreateAdjacency) \
82 (GraphDepthFirstSearch) \
[560cbf]83 (GraphDestroyAdjacency) \
[22b786]84 (GraphSubgraphDissection) \
[442495]85 (MoleculeBondFile) \
86 (MoleculeChangeName) \
87 (MoleculeChangeBondAngle) \
[004d5c]88 (MoleculeCopy) \
[1a48d2]89 (MoleculeForceAnnealing) \
[442495]90 (MoleculeLinearInterpolationofTrajectories) \
91 (MoleculeLoad) \
[867473]92 (MoleculeRemove) \
[788dce]93 (MoleculeRotateAroundBond) \
[004d5c]94 (MoleculeRotateAroundSelfByAngle) \
[442495]95 (MoleculeRotateToPrincipalAxisSystem) \
96 (MoleculeSaveAdjacency) \
[004d5c]97 (MoleculeSaveBonds) \
[442495]98 (MoleculeSaveSelectedMolecules) \
[d40189]99 (MoleculeSaveEnergies) \
[3a51bd]100 (MoleculeStretchBond) \
[066442]101 (MoleculeTranslate) \
[442495]102 (MoleculeVerletIntegration) \
[50d49d]103 (PotentialFitPartialCharges) \
[78202b]104 (PotentialParseAtomFragments) \
[442495]105 (PotentialParseHomologies) \
[2082637]106 (PotentialParseParticleParameters) \
[f1eabd]107 (PotentialParsePotentials) \
[78202b]108 (PotentialSaveAtomFragments) \
[442495]109 (PotentialSaveHomologies) \
[2082637]110 (PotentialSaveParticleParameters) \
[0ea063]111 (PotentialSavePotentials) \
[004d5c]112 (ParserSaveSelectedAtomsAsExtTypes) \
113 (ParserSetParserParameters) \
114 (ParserSetOutputFormats) \
[442495]115 (ParserSetTremoloAtomdata) \
[004d5c]116 (Undo) \
[442495]117 (SelectionAllAtoms) \
118 (SelectionAllAtomsInsideVolume) \
119 (SelectionAllAtomsOfMolecule) \
[004d5c]120 (SelectionAllMolecules) \
[442495]121 (SelectionAllShapes) \
[4de4f6]122 (SelectionAtomBondNeighbors) \
[442495]123 (SelectionAtomByElement) \
124 (SelectionAtomById) \
[3f6aac]125 (SelectionAtomByName) \
[442495]126 (SelectionAtomByOrder) \
[0ad4781]127 (SelectionAtomByRandom) \
[442495]128 (SelectionClearAllAtoms) \
[004d5c]129 (SelectionClearAllMolecules) \
[442495]130 (SelectionInvertAtoms) \
[ebc499]131 (SelectionInvertMolecules) \
[442495]132 (SelectionMoleculeOfAtom) \
[004d5c]133 (SelectionMoleculeByFormula) \
[442495]134 (SelectionMoleculeById) \
135 (SelectionMoleculeByName) \
136 (SelectionMoleculeByOrder) \
[004d5c]137 (SelectionNotAllAtoms) \
[eff536]138 (SelectionNotAllAtomsInsideVolume) \
[004d5c]139 (SelectionNotAllAtomsOfMolecule) \
[442495]140 (SelectionNotAllMolecules) \
[a27dcb]141 (SelectionNotAllShapes) \
[442495]142 (SelectionNotAtomByElement) \
[3f6aac]143 (SelectionNotAtomById) \
144 (SelectionNotAtomByName) \
[442495]145 (SelectionNotAtomByOrder) \
146 (SelectionNotMoleculeOfAtom) \
147 (SelectionNotMoleculeByFormula) \
148 (SelectionNotMoleculeById) \
149 (SelectionNotMoleculeByName) \
150 (SelectionNotMoleculeByOrder) \
[2c004d]151 (SelectionNotShapeByName) \
[3213f2]152 (SelectionPopAtoms) \
153 (SelectionPushAtoms) \
[a84e8d]154 (SelectionPopMolecules) \
155 (SelectionPushMolecules) \
[442495]156 (SelectionShapeByName) \
[d475a6]157 (ShapeCombineShapes) \
[f20da5]158 (ShapeCreateShape) \
[0b5057]159 (ShapeRemoveShape) \
[a2bbb1]160 (ShapeRotateShape) \
[29ea65]161 (ShapeStretchShape) \
[442495]162 (ShapeTranslateShape) \
163 (TesselationConvexEnvelope) \
164 (TesselationNonConvexEnvelope) \
165 (WorldAddEmptyBoundary) \
166 (WorldBoundInBox) \
167 (WorldCenterInBox) \
168 (WorldCenterOnEdge) \
169 (WorldChangeBox) \
170 (WorldInput) \
171 (WorldOutput) \
172 (WorldOutputAs) \
173 (WorldRepeatBox) \
174 (WorldScaleBox) \
175 (WorldSetBoundaryConditions) \
176 (WorldSetDefaultName) \
[72e40d0]177 (WorldSetWorldTime) \
178 (WorldStepWorldTime)
[004d5c]179
[786d28]180// extend list of actions in case levmar is available
[48d20d]181#ifdef HAVE_LEVMAR
182#define GLOBALLISTOFACTIONS_LEVMAR \
183 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]184 BOOST_PP_SEQ_PUSH_BACK( \
185 GLOBALLISTOFACTIONS_initial, \
186 PotentialFitPotential \
187 ), \
188 PotentialFitCompoundPotential \
[48d20d]189 )
190#else
191#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]192 GLOBALLISTOFACTIONS_initial
[48d20d]193#endif /* HAVE_LEVMAR */
194
195// define final list
[0d4168]196#ifdef HAVE_PYTHON
197#define GLOBALLISTOFACTIONS_PYTHON \
198 BOOST_PP_SEQ_PUSH_BACK( \
199 GLOBALLISTOFACTIONS_LEVMAR, \
200 CommandLoadSession \
201 )
202#else
203#define GLOBALLISTOFACTIONS_PYTHON \
204 GLOBALLISTOFACTIONS_LEVMAR
205#endif
206
207#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
208
209// define python list
210// skips CommandLoadSession as this causes dangerous infinite loops
211#define GLOBALLISTOFPYTHONACTIONS \
212 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]213
[83e90c]214#endif /* GLOBALLISTOFACTIONS_HPP_ */
215
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