source: src/Actions/GlobalListOfActions.hpp@ 38bcbe

Candidate_v1.7.0 stable
Last change on this file since 38bcbe 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
Line 
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
16#include <boost/preprocessor/seq/push_back.hpp>
17#include <boost/preprocessor/seq/remove.hpp>
18
19// this is global list of actions valid for all cases
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
22#define GLOBALLISTOFACTIONS_initial \
23 (Redo) \
24 (AnalysisAverageMoleculeForce) \
25 (AnalysisDipoleAngularCorrelation) \
26 (AnalysisDipoleCorrelation) \
27 (AnalysisMolecularVolume) \
28 (AnalysisPairCorrelation) \
29 (AnalysisPointCorrelation) \
30 (AnalysisPrincipalAxisSystem) \
31 (AnalysisSurfaceCorrelation) \
32 (AtomAdd) \
33 (AtomChangeElement) \
34 (AtomMirror) \
35 (AtomRandomPerturbation) \
36 (AtomRemove) \
37 (AtomRotateAroundOriginByAngle) \
38 (AtomSaturate) \
39 (AtomSaveSelectedAtoms) \
40 (AtomTranslate) \
41 (AtomTranslateToOrigin) \
42 (BondAdd) \
43 (BondRemove) \
44 (BondSetDegree) \
45 (CommandDryRun) \
46 (CommandElementDb) \
47 (CommandBondLengthTable) \
48 (CommandFastParsing) \
49 (CommandHelp) \
50 (CommandHelpRedistribute) \
51 (CommandNoDryRun) \
52 (CommandSetRandomNumbersEngine) \
53 (CommandSetRandomNumbersDistribution) \
54 (CommandStoreSession) \
55 (CommandVerbose) \
56 (CommandVersion) \
57 (CommandWarranty) \
58 (FillRegularGrid) \
59 (FillSurface) \
60 (FillSuspendInMolecule) \
61 (FillVolume) \
62 (FragmentationAnalyseFragmentationResults) \
63 (FragmentationClearFragmentationResults) \
64 (FragmentationClearFragmentationState) \
65 (FragmentationFragmentation) \
66 (FragmentationFragmentationAutomation) \
67 (FragmentationMolecularDynamics) \
68 (FragmentationParseFragmentJobs) \
69 (FragmentationParseFragmentResults) \
70 (FragmentationSaveFragmentResults) \
71 (FragmentationStoreSaturatedFragment) \
72 (FragmentationStructuralOptimization) \
73 (GeometryDistanceToVector) \
74 (GeometryInputToVector) \
75 (GeometryPlaneToVector) \
76 (GeometryPositionToVector) \
77 (GeometryRemove) \
78 (GraphChemicalSpaceEvaluator) \
79 (GraphUpdateMolecules) \
80 (GraphCorrectBondDegree) \
81 (GraphCreateAdjacency) \
82 (GraphDepthFirstSearch) \
83 (GraphDestroyAdjacency) \
84 (GraphSubgraphDissection) \
85 (MoleculeBondFile) \
86 (MoleculeChangeName) \
87 (MoleculeChangeBondAngle) \
88 (MoleculeCopy) \
89 (MoleculeForceAnnealing) \
90 (MoleculeLinearInterpolationofTrajectories) \
91 (MoleculeLoad) \
92 (MoleculeRemove) \
93 (MoleculeRotateAroundBond) \
94 (MoleculeRotateAroundSelfByAngle) \
95 (MoleculeRotateToPrincipalAxisSystem) \
96 (MoleculeSaveAdjacency) \
97 (MoleculeSaveBonds) \
98 (MoleculeSaveSelectedMolecules) \
99 (MoleculeSaveEnergies) \
100 (MoleculeStretchBond) \
101 (MoleculeTranslate) \
102 (MoleculeVerletIntegration) \
103 (PotentialFitPartialCharges) \
104 (PotentialParseAtomFragments) \
105 (PotentialParseHomologies) \
106 (PotentialParseParticleParameters) \
107 (PotentialParsePotentials) \
108 (PotentialSaveAtomFragments) \
109 (PotentialSaveHomologies) \
110 (PotentialSaveParticleParameters) \
111 (PotentialSavePotentials) \
112 (ParserSaveSelectedAtomsAsExtTypes) \
113 (ParserSetParserParameters) \
114 (ParserSetOutputFormats) \
115 (ParserSetTremoloAtomdata) \
116 (Undo) \
117 (SelectionAllAtoms) \
118 (SelectionAllAtomsInsideVolume) \
119 (SelectionAllAtomsOfMolecule) \
120 (SelectionAllMolecules) \
121 (SelectionAllShapes) \
122 (SelectionAtomBondNeighbors) \
123 (SelectionAtomByElement) \
124 (SelectionAtomById) \
125 (SelectionAtomByName) \
126 (SelectionAtomByOrder) \
127 (SelectionAtomByRandom) \
128 (SelectionClearAllAtoms) \
129 (SelectionClearAllMolecules) \
130 (SelectionInvertAtoms) \
131 (SelectionInvertMolecules) \
132 (SelectionMoleculeOfAtom) \
133 (SelectionMoleculeByFormula) \
134 (SelectionMoleculeById) \
135 (SelectionMoleculeByName) \
136 (SelectionMoleculeByOrder) \
137 (SelectionNotAllAtoms) \
138 (SelectionNotAllAtomsInsideVolume) \
139 (SelectionNotAllAtomsOfMolecule) \
140 (SelectionNotAllMolecules) \
141 (SelectionNotAllShapes) \
142 (SelectionNotAtomByElement) \
143 (SelectionNotAtomById) \
144 (SelectionNotAtomByName) \
145 (SelectionNotAtomByOrder) \
146 (SelectionNotMoleculeOfAtom) \
147 (SelectionNotMoleculeByFormula) \
148 (SelectionNotMoleculeById) \
149 (SelectionNotMoleculeByName) \
150 (SelectionNotMoleculeByOrder) \
151 (SelectionNotShapeByName) \
152 (SelectionPopAtoms) \
153 (SelectionPushAtoms) \
154 (SelectionPopMolecules) \
155 (SelectionPushMolecules) \
156 (SelectionShapeByName) \
157 (ShapeCombineShapes) \
158 (ShapeCreateShape) \
159 (ShapeRemoveShape) \
160 (ShapeRotateShape) \
161 (ShapeStretchShape) \
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) \
177 (WorldSetWorldTime) \
178 (WorldStepWorldTime)
179
180// extend list of actions in case levmar is available
181#ifdef HAVE_LEVMAR
182#define GLOBALLISTOFACTIONS_LEVMAR \
183 BOOST_PP_SEQ_PUSH_BACK( \
184 BOOST_PP_SEQ_PUSH_BACK( \
185 GLOBALLISTOFACTIONS_initial, \
186 PotentialFitPotential \
187 ), \
188 PotentialFitCompoundPotential \
189 )
190#else
191#define GLOBALLISTOFACTIONS_LEVMAR \
192 GLOBALLISTOFACTIONS_initial
193#endif /* HAVE_LEVMAR */
194
195// define final list
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
213
214#endif /* GLOBALLISTOFACTIONS_HPP_ */
215
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