source: src/Actions/GlobalListOfActions.hpp@ c8165c

ForceAnnealing_goodresults ForceAnnealing_tocheck
Last change on this file since c8165c was c8165c, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Merge branch 'Docu_Python_wait' into Candidate_v1.6.1

Conflicts:

tests/Python/AllActions/options.dat

  • two options introduced at same place, both get in.
  • Property mode set to 100644
File size: 5.6 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) \
[442495]35 (AtomRemove) \
36 (AtomRotateAroundOriginByAngle) \
[2fcef3]37 (AtomSaturate) \
[442495]38 (AtomSaveSelectedAtoms) \
39 (AtomTranslate) \
[c7fe90]40 (AtomTranslateToOrigin) \
[442495]41 (BondAdd) \
42 (BondRemove) \
[2d1280]43 (BondSetDegree) \
[f3db60]44 (CommandDryRun) \
[442495]45 (CommandElementDb) \
46 (CommandBondLengthTable) \
47 (CommandFastParsing) \
48 (CommandHelp) \
49 (CommandHelpRedistribute) \
[f3db60]50 (CommandNoDryRun) \
[442495]51 (CommandSetRandomNumbersEngine) \
52 (CommandSetRandomNumbersDistribution) \
53 (CommandStoreSession) \
54 (CommandVerbose) \
55 (CommandVersion) \
56 (CommandWarranty) \
57 (FillRegularGrid) \
58 (FillSurface) \
[aa55d0]59 (FillSuspendInMolecule) \
[6801f4]60 (FillVolume) \
[442495]61 (FragmentationAnalyseFragmentationResults) \
62 (FragmentationClearFragmentationResults) \
63 (FragmentationFragmentation) \
64 (FragmentationFragmentationAutomation) \
65 (FragmentationMolecularDynamics) \
66 (FragmentationParseFragmentJobs) \
[73a5f7]67 (FragmentationParseFragmentResults) \
68 (FragmentationSaveFragmentResults) \
[442495]69 (FragmentationStoreSaturatedFragment) \
[e5f61ba]70 (FragmentationStructuralOptimization) \
[5f869d7]71 (GeometryDistanceToVector) \
72 (GeometryInputToVector) \
73 (GeometryPlaneToVector) \
74 (GeometryPositionToVector) \
[5f0ddd]75 (GeometryRemove) \
[22b786]76 (GraphUpdateMolecules) \
[343c5a]77 (GraphCorrectBondDegree) \
[004d5c]78 (GraphCreateAdjacency) \
79 (GraphDepthFirstSearch) \
[560cbf]80 (GraphDestroyAdjacency) \
[22b786]81 (GraphSubgraphDissection) \
[442495]82 (MoleculeBondFile) \
83 (MoleculeChangeName) \
84 (MoleculeChangeBondAngle) \
[004d5c]85 (MoleculeCopy) \
[1a48d2]86 (MoleculeForceAnnealing) \
[442495]87 (MoleculeLinearInterpolationofTrajectories) \
88 (MoleculeLoad) \
[867473]89 (MoleculeRemove) \
[9a1e35c]90 (MoleculeRotateAroundBond) \
[004d5c]91 (MoleculeRotateAroundSelfByAngle) \
[442495]92 (MoleculeRotateToPrincipalAxisSystem) \
93 (MoleculeSaveAdjacency) \
[004d5c]94 (MoleculeSaveBonds) \
[442495]95 (MoleculeSaveSelectedMolecules) \
96 (MoleculeSaveTemperature) \
[3a51bd]97 (MoleculeStretchBond) \
[066442]98 (MoleculeTranslate) \
[442495]99 (MoleculeVerletIntegration) \
[50d49d]100 (PotentialFitPartialCharges) \
[78202b]101 (PotentialParseAtomFragments) \
[442495]102 (PotentialParseHomologies) \
[2082637]103 (PotentialParseParticleParameters) \
[f1eabd]104 (PotentialParsePotentials) \
[78202b]105 (PotentialSaveAtomFragments) \
[442495]106 (PotentialSaveHomologies) \
[2082637]107 (PotentialSaveParticleParameters) \
[0ea063]108 (PotentialSavePotentials) \
[004d5c]109 (ParserSaveSelectedAtomsAsExtTypes) \
110 (ParserSetParserParameters) \
111 (ParserSetOutputFormats) \
[442495]112 (ParserSetTremoloAtomdata) \
[004d5c]113 (Undo) \
[442495]114 (SelectionAllAtoms) \
115 (SelectionAllAtomsInsideVolume) \
116 (SelectionAllAtomsOfMolecule) \
[004d5c]117 (SelectionAllMolecules) \
[442495]118 (SelectionAllShapes) \
119 (SelectionAtomByElement) \
120 (SelectionAtomById) \
121 (SelectionAtomByOrder) \
122 (SelectionClearAllAtoms) \
[004d5c]123 (SelectionClearAllMolecules) \
[442495]124 (SelectionInvertAtoms) \
[ebc499]125 (SelectionInvertMolecules) \
[442495]126 (SelectionMoleculeOfAtom) \
[004d5c]127 (SelectionMoleculeByFormula) \
[442495]128 (SelectionMoleculeById) \
129 (SelectionMoleculeByName) \
130 (SelectionMoleculeByOrder) \
[004d5c]131 (SelectionNotAllAtoms) \
[eff536]132 (SelectionNotAllAtomsInsideVolume) \
[004d5c]133 (SelectionNotAllAtomsOfMolecule) \
[442495]134 (SelectionNotAllMolecules) \
[a27dcb]135 (SelectionNotAllShapes) \
[442495]136 (SelectionNotAtomById) \
137 (SelectionNotAtomByElement) \
138 (SelectionNotAtomByOrder) \
139 (SelectionNotMoleculeOfAtom) \
140 (SelectionNotMoleculeByFormula) \
141 (SelectionNotMoleculeById) \
142 (SelectionNotMoleculeByName) \
143 (SelectionNotMoleculeByOrder) \
[2c004d]144 (SelectionNotShapeByName) \
[3213f2]145 (SelectionPopAtoms) \
146 (SelectionPushAtoms) \
[a84e8d]147 (SelectionPopMolecules) \
148 (SelectionPushMolecules) \
[442495]149 (SelectionShapeByName) \
[d475a6]150 (ShapeCombineShapes) \
[f20da5]151 (ShapeCreateShape) \
[0b5057]152 (ShapeRemoveShape) \
[a2bbb1]153 (ShapeRotateShape) \
[29ea65]154 (ShapeStretchShape) \
[442495]155 (ShapeTranslateShape) \
156 (TesselationConvexEnvelope) \
157 (TesselationNonConvexEnvelope) \
158 (WorldAddEmptyBoundary) \
159 (WorldBoundInBox) \
160 (WorldCenterInBox) \
161 (WorldCenterOnEdge) \
162 (WorldChangeBox) \
163 (WorldInput) \
164 (WorldOutput) \
165 (WorldOutputAs) \
166 (WorldRepeatBox) \
167 (WorldScaleBox) \
168 (WorldSetBoundaryConditions) \
169 (WorldSetDefaultName) \
[72e40d0]170 (WorldSetWorldTime) \
171 (WorldStepWorldTime)
[004d5c]172
[786d28]173// extend list of actions in case levmar is available
[48d20d]174#ifdef HAVE_LEVMAR
175#define GLOBALLISTOFACTIONS_LEVMAR \
176 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]177 BOOST_PP_SEQ_PUSH_BACK( \
178 GLOBALLISTOFACTIONS_initial, \
179 PotentialFitPotential \
180 ), \
181 PotentialFitCompoundPotential \
[48d20d]182 )
183#else
184#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]185 GLOBALLISTOFACTIONS_initial
[48d20d]186#endif /* HAVE_LEVMAR */
187
188// define final list
[0d4168]189#ifdef HAVE_PYTHON
190#define GLOBALLISTOFACTIONS_PYTHON \
191 BOOST_PP_SEQ_PUSH_BACK( \
192 GLOBALLISTOFACTIONS_LEVMAR, \
193 CommandLoadSession \
194 )
195#else
196#define GLOBALLISTOFACTIONS_PYTHON \
197 GLOBALLISTOFACTIONS_LEVMAR
198#endif
199
200#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
201
202// define python list
203// skips CommandLoadSession as this causes dangerous infinite loops
204#define GLOBALLISTOFPYTHONACTIONS \
205 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]206
[83e90c]207#endif /* GLOBALLISTOFACTIONS_HPP_ */
208
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