| [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 \
|
|---|
| [f4b626a] | 23 | (AnalysisAverageMoleculeForce) \
|
|---|
| [442495] | 24 | (AnalysisDipoleAngularCorrelation) \
|
|---|
| 25 | (AnalysisDipoleCorrelation) \
|
|---|
| 26 | (AnalysisMolecularVolume) \
|
|---|
| 27 | (AnalysisPairCorrelation) \
|
|---|
| 28 | (AnalysisPointCorrelation) \
|
|---|
| 29 | (AnalysisPrincipalAxisSystem) \
|
|---|
| 30 | (AnalysisSurfaceCorrelation) \
|
|---|
| 31 | (AtomAdd) \
|
|---|
| [5fa1e86] | 32 | (AtomBondify) \
|
|---|
| [442495] | 33 | (AtomChangeElement) \
|
|---|
| [bbf6dc] | 34 | (AtomMirror) \
|
|---|
| [310445] | 35 | (AtomRandomPerturbation) \
|
|---|
| [442495] | 36 | (AtomRemove) \
|
|---|
| 37 | (AtomRotateAroundOriginByAngle) \
|
|---|
| [2fcef3] | 38 | (AtomSaturate) \
|
|---|
| [442495] | 39 | (AtomSaveSelectedAtoms) \
|
|---|
| 40 | (AtomTranslate) \
|
|---|
| [c7fe90] | 41 | (AtomTranslateToOrigin) \
|
|---|
| [442495] | 42 | (BondAdd) \
|
|---|
| 43 | (BondRemove) \
|
|---|
| [2d1280] | 44 | (BondSetDegree) \
|
|---|
| [f3db60] | 45 | (CommandDryRun) \
|
|---|
| [442495] | 46 | (CommandElementDb) \
|
|---|
| 47 | (CommandBondLengthTable) \
|
|---|
| 48 | (CommandFastParsing) \
|
|---|
| 49 | (CommandHelp) \
|
|---|
| 50 | (CommandHelpRedistribute) \
|
|---|
| [f3db60] | 51 | (CommandNoDryRun) \
|
|---|
| [442495] | 52 | (CommandSetRandomNumbersEngine) \
|
|---|
| 53 | (CommandSetRandomNumbersDistribution) \
|
|---|
| [bcc29ca] | 54 | (CommandSetUndoMark) \
|
|---|
| [442495] | 55 | (CommandStoreSession) \
|
|---|
| [bcc29ca] | 56 | (CommandUndoTillMark) \
|
|---|
| [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) \
|
|---|
| [bcc29ca] | 122 | (Redo) \
|
|---|
| [004d5c] | 123 | (Undo) \
|
|---|
| [442495] | 124 | (SelectionAllAtoms) \
|
|---|
| 125 | (SelectionAllAtomsInsideVolume) \
|
|---|
| 126 | (SelectionAllAtomsOfMolecule) \
|
|---|
| [004d5c] | 127 | (SelectionAllMolecules) \
|
|---|
| [442495] | 128 | (SelectionAllShapes) \
|
|---|
| [4de4f6] | 129 | (SelectionAtomBondNeighbors) \
|
|---|
| [442495] | 130 | (SelectionAtomByElement) \
|
|---|
| 131 | (SelectionAtomById) \
|
|---|
| [3f6aac] | 132 | (SelectionAtomByName) \
|
|---|
| [442495] | 133 | (SelectionAtomByOrder) \
|
|---|
| [0ad4781] | 134 | (SelectionAtomByRandom) \
|
|---|
| [442495] | 135 | (SelectionClearAllAtoms) \
|
|---|
| [004d5c] | 136 | (SelectionClearAllMolecules) \
|
|---|
| [442495] | 137 | (SelectionInvertAtoms) \
|
|---|
| [ebc499] | 138 | (SelectionInvertMolecules) \
|
|---|
| [442495] | 139 | (SelectionMoleculeOfAtom) \
|
|---|
| [004d5c] | 140 | (SelectionMoleculeByFormula) \
|
|---|
| [442495] | 141 | (SelectionMoleculeById) \
|
|---|
| 142 | (SelectionMoleculeByName) \
|
|---|
| 143 | (SelectionMoleculeByOrder) \
|
|---|
| [004d5c] | 144 | (SelectionNotAllAtoms) \
|
|---|
| [eff536] | 145 | (SelectionNotAllAtomsInsideVolume) \
|
|---|
| [004d5c] | 146 | (SelectionNotAllAtomsOfMolecule) \
|
|---|
| [442495] | 147 | (SelectionNotAllMolecules) \
|
|---|
| [a27dcb] | 148 | (SelectionNotAllShapes) \
|
|---|
| [442495] | 149 | (SelectionNotAtomByElement) \
|
|---|
| [3f6aac] | 150 | (SelectionNotAtomById) \
|
|---|
| 151 | (SelectionNotAtomByName) \
|
|---|
| [442495] | 152 | (SelectionNotAtomByOrder) \
|
|---|
| 153 | (SelectionNotMoleculeOfAtom) \
|
|---|
| 154 | (SelectionNotMoleculeByFormula) \
|
|---|
| 155 | (SelectionNotMoleculeById) \
|
|---|
| 156 | (SelectionNotMoleculeByName) \
|
|---|
| 157 | (SelectionNotMoleculeByOrder) \
|
|---|
| [2c004d] | 158 | (SelectionNotShapeByName) \
|
|---|
| [3213f2] | 159 | (SelectionPopAtoms) \
|
|---|
| 160 | (SelectionPushAtoms) \
|
|---|
| [a84e8d] | 161 | (SelectionPopMolecules) \
|
|---|
| 162 | (SelectionPushMolecules) \
|
|---|
| [442495] | 163 | (SelectionShapeByName) \
|
|---|
| [d475a6] | 164 | (ShapeCombineShapes) \
|
|---|
| [f20da5] | 165 | (ShapeCreateShape) \
|
|---|
| [0b5057] | 166 | (ShapeRemoveShape) \
|
|---|
| [a2bbb1] | 167 | (ShapeRotateShape) \
|
|---|
| [29ea65] | 168 | (ShapeStretchShape) \
|
|---|
| [442495] | 169 | (ShapeTranslateShape) \
|
|---|
| 170 | (TesselationConvexEnvelope) \
|
|---|
| 171 | (TesselationNonConvexEnvelope) \
|
|---|
| 172 | (WorldAddEmptyBoundary) \
|
|---|
| 173 | (WorldBoundInBox) \
|
|---|
| 174 | (WorldCenterInBox) \
|
|---|
| 175 | (WorldCenterOnEdge) \
|
|---|
| 176 | (WorldChangeBox) \
|
|---|
| 177 | (WorldInput) \
|
|---|
| 178 | (WorldOutput) \
|
|---|
| 179 | (WorldOutputAs) \
|
|---|
| 180 | (WorldRepeatBox) \
|
|---|
| 181 | (WorldScaleBox) \
|
|---|
| 182 | (WorldSetBoundaryConditions) \
|
|---|
| 183 | (WorldSetDefaultName) \
|
|---|
| [72e40d0] | 184 | (WorldSetWorldTime) \
|
|---|
| 185 | (WorldStepWorldTime)
|
|---|
| [004d5c] | 186 |
|
|---|
| [786d28] | 187 | // extend list of actions in case levmar is available
|
|---|
| [48d20d] | 188 | #ifdef HAVE_LEVMAR
|
|---|
| 189 | #define GLOBALLISTOFACTIONS_LEVMAR \
|
|---|
| 190 | BOOST_PP_SEQ_PUSH_BACK( \
|
|---|
| [98d166] | 191 | BOOST_PP_SEQ_PUSH_BACK( \
|
|---|
| 192 | GLOBALLISTOFACTIONS_initial, \
|
|---|
| 193 | PotentialFitPotential \
|
|---|
| 194 | ), \
|
|---|
| 195 | PotentialFitCompoundPotential \
|
|---|
| [48d20d] | 196 | )
|
|---|
| 197 | #else
|
|---|
| 198 | #define GLOBALLISTOFACTIONS_LEVMAR \
|
|---|
| [786d28] | 199 | GLOBALLISTOFACTIONS_initial
|
|---|
| [48d20d] | 200 | #endif /* HAVE_LEVMAR */
|
|---|
| 201 |
|
|---|
| 202 | // define final list
|
|---|
| [0d4168] | 203 | #ifdef HAVE_PYTHON
|
|---|
| 204 | #define GLOBALLISTOFACTIONS_PYTHON \
|
|---|
| 205 | BOOST_PP_SEQ_PUSH_BACK( \
|
|---|
| 206 | GLOBALLISTOFACTIONS_LEVMAR, \
|
|---|
| 207 | CommandLoadSession \
|
|---|
| 208 | )
|
|---|
| 209 | #else
|
|---|
| 210 | #define GLOBALLISTOFACTIONS_PYTHON \
|
|---|
| 211 | GLOBALLISTOFACTIONS_LEVMAR
|
|---|
| 212 | #endif
|
|---|
| 213 |
|
|---|
| 214 | #define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
|
|---|
| 215 |
|
|---|
| 216 | // define python list
|
|---|
| 217 | // skips CommandLoadSession as this causes dangerous infinite loops
|
|---|
| 218 | #define GLOBALLISTOFPYTHONACTIONS \
|
|---|
| 219 | GLOBALLISTOFACTIONS_LEVMAR
|
|---|
| [48d20d] | 220 |
|
|---|
| [83e90c] | 221 | #endif /* GLOBALLISTOFACTIONS_HPP_ */
|
|---|
| 222 |
|
|---|