source: src/Actions/GlobalListOfActions.hpp@ 75a0cb

Candidate_v1.7.0 stable
Last change on this file since 75a0cb was d91a8f, checked in by Frederik Heber <frederik.heber@…>, 3 years ago

Added ClearHomologiesAction.

  • this is necessary during sampling where we accumulate a lot of homologies for the very same fragment.
  • DOC: Added doc string.
  • Property mode set to 100644
File size: 6.0 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) \
[5fa1e86]33 (AtomBondify) \
[442495]34 (AtomChangeElement) \
[bbf6dc]35 (AtomMirror) \
[310445]36 (AtomRandomPerturbation) \
[442495]37 (AtomRemove) \
38 (AtomRotateAroundOriginByAngle) \
[2fcef3]39 (AtomSaturate) \
[442495]40 (AtomSaveSelectedAtoms) \
41 (AtomTranslate) \
[c7fe90]42 (AtomTranslateToOrigin) \
[442495]43 (BondAdd) \
44 (BondRemove) \
[2d1280]45 (BondSetDegree) \
[f3db60]46 (CommandDryRun) \
[442495]47 (CommandElementDb) \
48 (CommandBondLengthTable) \
49 (CommandFastParsing) \
50 (CommandHelp) \
51 (CommandHelpRedistribute) \
[f3db60]52 (CommandNoDryRun) \
[442495]53 (CommandSetRandomNumbersEngine) \
54 (CommandSetRandomNumbersDistribution) \
55 (CommandStoreSession) \
[0ec9f5]56 (CommandUndoMark) \
[442495]57 (CommandVerbose) \
58 (CommandVersion) \
59 (CommandWarranty) \
60 (FillRegularGrid) \
61 (FillSurface) \
[aa55d0]62 (FillSuspendInMolecule) \
[6801f4]63 (FillVolume) \
[442495]64 (FragmentationAnalyseFragmentationResults) \
65 (FragmentationClearFragmentationResults) \
[addb51]66 (FragmentationClearFragmentationState) \
[999eaf]67 (FragmentationEvaluateStability) \
[442495]68 (FragmentationFragmentation) \
69 (FragmentationFragmentationAutomation) \
70 (FragmentationMolecularDynamics) \
71 (FragmentationParseFragmentJobs) \
[73a5f7]72 (FragmentationParseFragmentResults) \
73 (FragmentationSaveFragmentResults) \
[442495]74 (FragmentationStoreSaturatedFragment) \
[e5f61ba]75 (FragmentationStructuralOptimization) \
[987145]76 (GeometryDistanceToVector) \
77 (GeometryInputToVector) \
78 (GeometryPlaneToVector) \
79 (GeometryPositionToVector) \
[836972]80 (GeometryRemove) \
[f5ea10]81 (GraphChemicalSpaceEvaluator) \
[22b786]82 (GraphUpdateMolecules) \
[343c5a]83 (GraphCorrectBondDegree) \
[004d5c]84 (GraphCreateAdjacency) \
85 (GraphDepthFirstSearch) \
[560cbf]86 (GraphDestroyAdjacency) \
[5061d9]87 (GraphPrintSelectedAtomsAsGraphString) \
[22b786]88 (GraphSubgraphDissection) \
[442495]89 (MoleculeBondFile) \
90 (MoleculeChangeName) \
91 (MoleculeChangeBondAngle) \
[004d5c]92 (MoleculeCopy) \
[1a48d2]93 (MoleculeForceAnnealing) \
[442495]94 (MoleculeLinearInterpolationofTrajectories) \
95 (MoleculeLoad) \
[867473]96 (MoleculeRemove) \
[788dce]97 (MoleculeRotateAroundBond) \
[004d5c]98 (MoleculeRotateAroundSelfByAngle) \
[442495]99 (MoleculeRotateToPrincipalAxisSystem) \
100 (MoleculeSaveAdjacency) \
[004d5c]101 (MoleculeSaveBonds) \
[442495]102 (MoleculeSaveSelectedMolecules) \
[d40189]103 (MoleculeSaveEnergies) \
[3a51bd]104 (MoleculeStretchBond) \
[066442]105 (MoleculeTranslate) \
[442495]106 (MoleculeVerletIntegration) \
[d91a8f]107 (PotentialClearHomologies) \
[50d49d]108 (PotentialFitPartialCharges) \
[55c494]109 (PotentialGeneratePotentials) \
[78202b]110 (PotentialParseAtomFragments) \
[442495]111 (PotentialParseHomologies) \
[2082637]112 (PotentialParseParticleParameters) \
[f1eabd]113 (PotentialParsePotentials) \
[78202b]114 (PotentialSaveAtomFragments) \
[442495]115 (PotentialSaveHomologies) \
[2082637]116 (PotentialSaveParticleParameters) \
[0ea063]117 (PotentialSavePotentials) \
[004d5c]118 (ParserSaveSelectedAtomsAsExtTypes) \
119 (ParserSetParserParameters) \
120 (ParserSetOutputFormats) \
[442495]121 (ParserSetTremoloAtomdata) \
[004d5c]122 (Undo) \
[442495]123 (SelectionAllAtoms) \
124 (SelectionAllAtomsInsideVolume) \
125 (SelectionAllAtomsOfMolecule) \
[004d5c]126 (SelectionAllMolecules) \
[442495]127 (SelectionAllShapes) \
[4de4f6]128 (SelectionAtomBondNeighbors) \
[442495]129 (SelectionAtomByElement) \
130 (SelectionAtomById) \
[3f6aac]131 (SelectionAtomByName) \
[442495]132 (SelectionAtomByOrder) \
[0ad4781]133 (SelectionAtomByRandom) \
[442495]134 (SelectionClearAllAtoms) \
[004d5c]135 (SelectionClearAllMolecules) \
[442495]136 (SelectionInvertAtoms) \
[ebc499]137 (SelectionInvertMolecules) \
[442495]138 (SelectionMoleculeOfAtom) \
[004d5c]139 (SelectionMoleculeByFormula) \
[442495]140 (SelectionMoleculeById) \
141 (SelectionMoleculeByName) \
142 (SelectionMoleculeByOrder) \
[004d5c]143 (SelectionNotAllAtoms) \
[eff536]144 (SelectionNotAllAtomsInsideVolume) \
[004d5c]145 (SelectionNotAllAtomsOfMolecule) \
[442495]146 (SelectionNotAllMolecules) \
[a27dcb]147 (SelectionNotAllShapes) \
[442495]148 (SelectionNotAtomByElement) \
[3f6aac]149 (SelectionNotAtomById) \
150 (SelectionNotAtomByName) \
[442495]151 (SelectionNotAtomByOrder) \
152 (SelectionNotMoleculeOfAtom) \
153 (SelectionNotMoleculeByFormula) \
154 (SelectionNotMoleculeById) \
155 (SelectionNotMoleculeByName) \
156 (SelectionNotMoleculeByOrder) \
[2c004d]157 (SelectionNotShapeByName) \
[3213f2]158 (SelectionPopAtoms) \
159 (SelectionPushAtoms) \
[a84e8d]160 (SelectionPopMolecules) \
161 (SelectionPushMolecules) \
[442495]162 (SelectionShapeByName) \
[d475a6]163 (ShapeCombineShapes) \
[f20da5]164 (ShapeCreateShape) \
[0b5057]165 (ShapeRemoveShape) \
[a2bbb1]166 (ShapeRotateShape) \
[29ea65]167 (ShapeStretchShape) \
[442495]168 (ShapeTranslateShape) \
169 (TesselationConvexEnvelope) \
170 (TesselationNonConvexEnvelope) \
171 (WorldAddEmptyBoundary) \
172 (WorldBoundInBox) \
173 (WorldCenterInBox) \
174 (WorldCenterOnEdge) \
175 (WorldChangeBox) \
176 (WorldInput) \
177 (WorldOutput) \
178 (WorldOutputAs) \
179 (WorldRepeatBox) \
180 (WorldScaleBox) \
181 (WorldSetBoundaryConditions) \
182 (WorldSetDefaultName) \
[72e40d0]183 (WorldSetWorldTime) \
184 (WorldStepWorldTime)
[004d5c]185
[786d28]186// extend list of actions in case levmar is available
[48d20d]187#ifdef HAVE_LEVMAR
188#define GLOBALLISTOFACTIONS_LEVMAR \
189 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]190 BOOST_PP_SEQ_PUSH_BACK( \
191 GLOBALLISTOFACTIONS_initial, \
192 PotentialFitPotential \
193 ), \
194 PotentialFitCompoundPotential \
[48d20d]195 )
196#else
197#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]198 GLOBALLISTOFACTIONS_initial
[48d20d]199#endif /* HAVE_LEVMAR */
200
201// define final list
[0d4168]202#ifdef HAVE_PYTHON
203#define GLOBALLISTOFACTIONS_PYTHON \
204 BOOST_PP_SEQ_PUSH_BACK( \
205 GLOBALLISTOFACTIONS_LEVMAR, \
206 CommandLoadSession \
207 )
208#else
209#define GLOBALLISTOFACTIONS_PYTHON \
210 GLOBALLISTOFACTIONS_LEVMAR
211#endif
212
213#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
214
215// define python list
216// skips CommandLoadSession as this causes dangerous infinite loops
217#define GLOBALLISTOFPYTHONACTIONS \
218 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]219
[83e90c]220#endif /* GLOBALLISTOFACTIONS_HPP_ */
221
Note: See TracBrowser for help on using the repository browser.