source: src/Actions/GlobalListOfActions.hpp@ e9f307

Candidate_v1.7.0 stable
Last change on this file since e9f307 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
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 (AnalysisAverageMoleculeForce) \
24 (AnalysisDipoleAngularCorrelation) \
25 (AnalysisDipoleCorrelation) \
26 (AnalysisMolecularVolume) \
27 (AnalysisPairCorrelation) \
28 (AnalysisPointCorrelation) \
29 (AnalysisPrincipalAxisSystem) \
30 (AnalysisSurfaceCorrelation) \
31 (AtomAdd) \
32 (AtomBondify) \
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 (CommandSetUndoMark) \
55 (CommandStoreSession) \
56 (CommandUndoTillMark) \
57 (CommandVerbose) \
58 (CommandVersion) \
59 (CommandWarranty) \
60 (FillRegularGrid) \
61 (FillSurface) \
62 (FillSuspendInMolecule) \
63 (FillVolume) \
64 (FragmentationAnalyseFragmentationResults) \
65 (FragmentationClearFragmentationResults) \
66 (FragmentationClearFragmentationState) \
67 (FragmentationEvaluateStability) \
68 (FragmentationFragmentation) \
69 (FragmentationFragmentationAutomation) \
70 (FragmentationMolecularDynamics) \
71 (FragmentationParseFragmentJobs) \
72 (FragmentationParseFragmentResults) \
73 (FragmentationSaveFragmentResults) \
74 (FragmentationStoreSaturatedFragment) \
75 (FragmentationStructuralOptimization) \
76 (GeometryDistanceToVector) \
77 (GeometryInputToVector) \
78 (GeometryPlaneToVector) \
79 (GeometryPositionToVector) \
80 (GeometryRemove) \
81 (GraphChemicalSpaceEvaluator) \
82 (GraphUpdateMolecules) \
83 (GraphCorrectBondDegree) \
84 (GraphCreateAdjacency) \
85 (GraphDepthFirstSearch) \
86 (GraphDestroyAdjacency) \
87 (GraphPrintSelectedAtomsAsGraphString) \
88 (GraphSubgraphDissection) \
89 (MoleculeBondFile) \
90 (MoleculeChangeName) \
91 (MoleculeChangeBondAngle) \
92 (MoleculeCopy) \
93 (MoleculeForceAnnealing) \
94 (MoleculeLinearInterpolationofTrajectories) \
95 (MoleculeLoad) \
96 (MoleculeRemove) \
97 (MoleculeRotateAroundBond) \
98 (MoleculeRotateAroundSelfByAngle) \
99 (MoleculeRotateToPrincipalAxisSystem) \
100 (MoleculeSaveAdjacency) \
101 (MoleculeSaveBonds) \
102 (MoleculeSaveSelectedMolecules) \
103 (MoleculeSaveEnergies) \
104 (MoleculeStretchBond) \
105 (MoleculeTranslate) \
106 (MoleculeVerletIntegration) \
107 (PotentialAddPotential) \
108 (PotentialClearHomologies) \
109 (PotentialFitPartialCharges) \
110 (PotentialGeneratePotentials) \
111 (PotentialParseAtomFragments) \
112 (PotentialParseHomologies) \
113 (PotentialParseParticleParameters) \
114 (PotentialParsePotentials) \
115 (PotentialRemovePotential) \
116 (PotentialSaveAtomFragments) \
117 (PotentialSaveHomologies) \
118 (PotentialSaveParticleParameters) \
119 (PotentialSavePotentials) \
120 (ParserSaveSelectedAtomsAsExtTypes) \
121 (ParserSetParserParameters) \
122 (ParserSetOutputFormats) \
123 (ParserSetTremoloAtomdata) \
124 (Redo) \
125 (Undo) \
126 (SelectionAllAtoms) \
127 (SelectionAllAtomsInsideVolume) \
128 (SelectionAllAtomsOfMolecule) \
129 (SelectionAllMolecules) \
130 (SelectionAllShapes) \
131 (SelectionAtomBondNeighbors) \
132 (SelectionAtomByElement) \
133 (SelectionAtomById) \
134 (SelectionAtomByName) \
135 (SelectionAtomByOrder) \
136 (SelectionAtomByRandom) \
137 (SelectionClearAllAtoms) \
138 (SelectionClearAllMolecules) \
139 (SelectionInvertAtoms) \
140 (SelectionInvertMolecules) \
141 (SelectionMoleculeOfAtom) \
142 (SelectionMoleculeByFormula) \
143 (SelectionMoleculeById) \
144 (SelectionMoleculeByName) \
145 (SelectionMoleculeByOrder) \
146 (SelectionNotAllAtoms) \
147 (SelectionNotAllAtomsInsideVolume) \
148 (SelectionNotAllAtomsOfMolecule) \
149 (SelectionNotAllMolecules) \
150 (SelectionNotAllShapes) \
151 (SelectionNotAtomByElement) \
152 (SelectionNotAtomById) \
153 (SelectionNotAtomByName) \
154 (SelectionNotAtomByOrder) \
155 (SelectionNotMoleculeOfAtom) \
156 (SelectionNotMoleculeByFormula) \
157 (SelectionNotMoleculeById) \
158 (SelectionNotMoleculeByName) \
159 (SelectionNotMoleculeByOrder) \
160 (SelectionNotShapeByName) \
161 (SelectionPopAtoms) \
162 (SelectionPushAtoms) \
163 (SelectionPopMolecules) \
164 (SelectionPushMolecules) \
165 (SelectionShapeByName) \
166 (ShapeCombineShapes) \
167 (ShapeCreateShape) \
168 (ShapeRemoveShape) \
169 (ShapeRotateShape) \
170 (ShapeStretchShape) \
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) \
186 (WorldSetWorldTime) \
187 (WorldStepWorldTime)
188
189// extend list of actions in case levmar is available
190#ifdef HAVE_LEVMAR
191#define GLOBALLISTOFACTIONS_LEVMAR \
192 BOOST_PP_SEQ_PUSH_BACK( \
193 BOOST_PP_SEQ_PUSH_BACK( \
194 GLOBALLISTOFACTIONS_initial, \
195 PotentialFitPotential \
196 ), \
197 PotentialFitCompoundPotential \
198 )
199#else
200#define GLOBALLISTOFACTIONS_LEVMAR \
201 GLOBALLISTOFACTIONS_initial
202#endif /* HAVE_LEVMAR */
203
204// define final list
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
222
223#endif /* GLOBALLISTOFACTIONS_HPP_ */
224
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