source: src/Actions/GlobalListOfActions.hpp@ a443e1

ForceAnnealing_goodresults ForceAnnealing_tocheck
Last change on this file since a443e1 was 5f869d7, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added four GeometryActions to convert atom positions into vectors.

  • added reverse switch to distance and plane to vector Actions.
  • InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.
  • Property mode set to 100644
File size: 5.5 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 (AtomRemove) \
36 (AtomRotateAroundOriginByAngle) \
37 (AtomSaturate) \
38 (AtomSaveSelectedAtoms) \
39 (AtomTranslate) \
40 (AtomTranslateToOrigin) \
41 (BondAdd) \
42 (BondRemove) \
43 (BondSetDegree) \
44 (CommandDryRun) \
45 (CommandElementDb) \
46 (CommandBondLengthTable) \
47 (CommandFastParsing) \
48 (CommandHelp) \
49 (CommandHelpRedistribute) \
50 (CommandNoDryRun) \
51 (CommandSetRandomNumbersEngine) \
52 (CommandSetRandomNumbersDistribution) \
53 (CommandStoreSession) \
54 (CommandVerbose) \
55 (CommandVersion) \
56 (CommandWarranty) \
57 (FillRegularGrid) \
58 (FillSurface) \
59 (FillSuspendInMolecule) \
60 (FillVolume) \
61 (FragmentationAnalyseFragmentationResults) \
62 (FragmentationClearFragmentationResults) \
63 (FragmentationFragmentation) \
64 (FragmentationFragmentationAutomation) \
65 (FragmentationMolecularDynamics) \
66 (FragmentationParseFragmentJobs) \
67 (FragmentationParseFragmentResults) \
68 (FragmentationSaveFragmentResults) \
69 (FragmentationStoreSaturatedFragment) \
70 (FragmentationStructuralOptimization) \
71 (GeometryDistanceToVector) \
72 (GeometryInputToVector) \
73 (GeometryPlaneToVector) \
74 (GeometryPositionToVector) \
75 (GraphUpdateMolecules) \
76 (GraphCorrectBondDegree) \
77 (GraphCreateAdjacency) \
78 (GraphDepthFirstSearch) \
79 (GraphDestroyAdjacency) \
80 (GraphSubgraphDissection) \
81 (MoleculeBondFile) \
82 (MoleculeChangeName) \
83 (MoleculeChangeBondAngle) \
84 (MoleculeCopy) \
85 (MoleculeForceAnnealing) \
86 (MoleculeLinearInterpolationofTrajectories) \
87 (MoleculeLoad) \
88 (MoleculeRemove) \
89 (MoleculeRotateAroundSelfByAngle) \
90 (MoleculeRotateToPrincipalAxisSystem) \
91 (MoleculeSaveAdjacency) \
92 (MoleculeSaveBonds) \
93 (MoleculeSaveSelectedMolecules) \
94 (MoleculeSaveTemperature) \
95 (MoleculeStretchBond) \
96 (MoleculeTranslate) \
97 (MoleculeVerletIntegration) \
98 (PotentialFitPartialCharges) \
99 (PotentialParseAtomFragments) \
100 (PotentialParseHomologies) \
101 (PotentialParseParticleParameters) \
102 (PotentialParsePotentials) \
103 (PotentialSaveAtomFragments) \
104 (PotentialSaveHomologies) \
105 (PotentialSaveParticleParameters) \
106 (PotentialSavePotentials) \
107 (ParserSaveSelectedAtomsAsExtTypes) \
108 (ParserSetParserParameters) \
109 (ParserSetOutputFormats) \
110 (ParserSetTremoloAtomdata) \
111 (Undo) \
112 (SelectionAllAtoms) \
113 (SelectionAllAtomsInsideVolume) \
114 (SelectionAllAtomsOfMolecule) \
115 (SelectionAllMolecules) \
116 (SelectionAllShapes) \
117 (SelectionAtomByElement) \
118 (SelectionAtomById) \
119 (SelectionAtomByOrder) \
120 (SelectionClearAllAtoms) \
121 (SelectionClearAllMolecules) \
122 (SelectionInvertAtoms) \
123 (SelectionInvertMolecules) \
124 (SelectionMoleculeOfAtom) \
125 (SelectionMoleculeByFormula) \
126 (SelectionMoleculeById) \
127 (SelectionMoleculeByName) \
128 (SelectionMoleculeByOrder) \
129 (SelectionNotAllAtoms) \
130 (SelectionNotAllAtomsInsideVolume) \
131 (SelectionNotAllAtomsOfMolecule) \
132 (SelectionNotAllMolecules) \
133 (SelectionNotAllShapes) \
134 (SelectionNotAtomById) \
135 (SelectionNotAtomByElement) \
136 (SelectionNotAtomByOrder) \
137 (SelectionNotMoleculeOfAtom) \
138 (SelectionNotMoleculeByFormula) \
139 (SelectionNotMoleculeById) \
140 (SelectionNotMoleculeByName) \
141 (SelectionNotMoleculeByOrder) \
142 (SelectionNotShapeByName) \
143 (SelectionPopAtoms) \
144 (SelectionPushAtoms) \
145 (SelectionPopMolecules) \
146 (SelectionPushMolecules) \
147 (SelectionShapeByName) \
148 (ShapeCombineShapes) \
149 (ShapeCreateShape) \
150 (ShapeRemoveShape) \
151 (ShapeRotateShape) \
152 (ShapeStretchShape) \
153 (ShapeTranslateShape) \
154 (TesselationConvexEnvelope) \
155 (TesselationNonConvexEnvelope) \
156 (WorldAddEmptyBoundary) \
157 (WorldBoundInBox) \
158 (WorldCenterInBox) \
159 (WorldCenterOnEdge) \
160 (WorldChangeBox) \
161 (WorldInput) \
162 (WorldOutput) \
163 (WorldOutputAs) \
164 (WorldRepeatBox) \
165 (WorldScaleBox) \
166 (WorldSetBoundaryConditions) \
167 (WorldSetDefaultName) \
168 (WorldSetWorldTime) \
169 (WorldStepWorldTime)
170
171// extend list of actions in case levmar is available
172#ifdef HAVE_LEVMAR
173#define GLOBALLISTOFACTIONS_LEVMAR \
174 BOOST_PP_SEQ_PUSH_BACK( \
175 BOOST_PP_SEQ_PUSH_BACK( \
176 GLOBALLISTOFACTIONS_initial, \
177 PotentialFitPotential \
178 ), \
179 PotentialFitCompoundPotential \
180 )
181#else
182#define GLOBALLISTOFACTIONS_LEVMAR \
183 GLOBALLISTOFACTIONS_initial
184#endif /* HAVE_LEVMAR */
185
186// define final list
187#ifdef HAVE_PYTHON
188#define GLOBALLISTOFACTIONS_PYTHON \
189 BOOST_PP_SEQ_PUSH_BACK( \
190 GLOBALLISTOFACTIONS_LEVMAR, \
191 CommandLoadSession \
192 )
193#else
194#define GLOBALLISTOFACTIONS_PYTHON \
195 GLOBALLISTOFACTIONS_LEVMAR
196#endif
197
198#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
199
200// define python list
201// skips CommandLoadSession as this causes dangerous infinite loops
202#define GLOBALLISTOFPYTHONACTIONS \
203 GLOBALLISTOFACTIONS_LEVMAR
204
205#endif /* GLOBALLISTOFACTIONS_HPP_ */
206
Note: See TracBrowser for help on using the repository browser.