source: src/Actions/GlobalListOfActions.hpp@ 39616b

Last change on this file since 39616b was 786d28, checked in by Frederik Heber <heber@…>, 11 years ago

Lib..FragmentationAutomation and lib..Jobs now also compiled without JobMarket.

are also compiled, makes sense with upcoming MPQCCommandFragmentController.

  • must not compile SpecificFragmentController or MPQCFragmentController without JobMarket.
  • now requires libboost_iostreams.
  • this is due to MPQCCommandJob fiddling with streams to convert results.
  • Property mode set to 100644
File size: 4.6 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
20#define GLOBALLISTOFACTIONS_initial \
21 (Redo) \
[22b786]22 (GraphUpdateMolecules) \
[004d5c]23 (GraphCreateAdjacency) \
24 (GraphDepthFirstSearch) \
[560cbf]25 (GraphDestroyAdjacency) \
[22b786]26 (GraphSubgraphDissection) \
[004d5c]27 (MoleculeSaveTemperature) \
28 (MoleculeCopy) \
29 (MoleculeSuspendInWater) \
30 (MoleculeFillWithMolecule) \
31 (MoleculeRotateToPrincipalAxisSystem) \
32 (MoleculeSaveAdjacency) \
33 (MoleculeFillVoidWithMolecule) \
34 (MoleculeVerletIntegration) \
35 (MoleculeChangeName) \
[8b886f]36 (MoleculeChangeBondAngle) \
[004d5c]37 (MoleculeRotateAroundSelfByAngle) \
38 (MoleculeSaveSelectedMolecules) \
39 (MoleculeSaveBonds) \
[3a51bd]40 (MoleculeStretchBond) \
[004d5c]41 (MoleculeLinearInterpolationofTrajectories) \
42 (MoleculeLoad) \
43 (MoleculeBondFile) \
44 (TesselationNonConvexEnvelope) \
45 (TesselationConvexEnvelope) \
46 (CommandElementDb) \
47 (CommandBondLengthTable) \
48 (CommandFastParsing) \
[bad589]49 (CommandHelp) \
50 (CommandHelpRedistribute) \
51 (CommandSetRandomNumbersEngine) \
52 (CommandSetRandomNumbersDistribution) \
53 (CommandStoreSession) \
54 (CommandVerbose) \
55 (CommandVersion) \
56 (CommandWarranty) \
[004d5c]57 (ParserSetTremoloAtomdata) \
58 (ParserParseTremoloPotentials) \
59 (ParserSaveSelectedAtomsAsExtTypes) \
60 (ParserSetParserParameters) \
61 (ParserSetOutputFormats) \
62 (AnalysisDipoleAngularCorrelation) \
63 (AnalysisDipoleCorrelation) \
64 (AnalysisPairCorrelation) \
65 (AnalysisPointCorrelation) \
66 (AnalysisSurfaceCorrelation) \
67 (AnalysisMolecularVolume) \
68 (AnalysisPrincipalAxisSystem) \
69 (Undo) \
70 (AtomSaveSelectedAtoms) \
71 (AtomRotateAroundOriginByAngle) \
72 (AtomChangeElement) \
73 (AtomRemove) \
74 (AtomTranslate) \
75 (AtomAdd) \
[f63e41]76 (BondAdd) \
77 (BondRemove) \
[004d5c]78 (WorldCenterInBox) \
79 (WorldRepeatBox) \
80 (WorldChangeBox) \
81 (WorldCenterOnEdge) \
82 (WorldSetWorldTime) \
83 (WorldSetBoundaryConditions) \
[5bcbc7]84 (WorldOutput) \
[072f0e]85 (WorldOutputAs) \
[004d5c]86 (WorldSetDefaultName) \
87 (WorldScaleBox) \
88 (WorldAddEmptyBoundary) \
89 (WorldBoundInBox) \
90 (WorldInput) \
91 (SelectionNotMoleculeOfAtom) \
92 (SelectionNotAllMolecules) \
93 (SelectionNotMoleculeById) \
94 (SelectionMoleculeByOrder) \
95 (SelectionMoleculeOfAtom) \
96 (SelectionNotMoleculeByOrder) \
97 (SelectionMoleculeByName) \
98 (SelectionMoleculeById) \
99 (SelectionAllMolecules) \
100 (SelectionClearAllMolecules) \
[ebc499]101 (SelectionInvertMolecules) \
[004d5c]102 (SelectionMoleculeByFormula) \
103 (SelectionNotMoleculeByFormula) \
104 (SelectionNotMoleculeByName) \
105 (SelectionNotAtomById) \
106 (SelectionNotAtomByOrder) \
107 (SelectionAllAtoms) \
108 (SelectionClearAllAtoms) \
[ebc499]109 (SelectionInvertAtoms) \
[004d5c]110 (SelectionNotAllAtoms) \
111 (SelectionNotAtomByElement) \
[eff536]112 (SelectionAllAtomsInsideVolume) \
[004d5c]113 (SelectionAllAtomsOfMolecule) \
[eff536]114 (SelectionNotAllAtomsInsideVolume) \
[004d5c]115 (SelectionAtomByElement) \
116 (SelectionNotAllAtomsOfMolecule) \
117 (SelectionAtomById) \
118 (SelectionAtomByOrder) \
[70bce9]119 (SelectionAllShapes) \
[663606]120 (SelectionShapeByName) \
[a27dcb]121 (SelectionNotAllShapes) \
[2c004d]122 (SelectionNotShapeByName) \
[a3427f]123 (FragmentationAnalyseFragmentationResults) \
[786d28]124 (FragmentationFragmentationAutomation) \
[16893f]125 (FragmentationClearFragmentationResults) \
[48d20d]126 (FragmentationFragmentation) \
[786d28]127 (FragmentationMolecularDynamics) \
128 (FragmentationParseFragmentJobs) \
[5589e7e]129 (FragmentationStoreSaturatedFragment) \
[f5724f]130 (PotentialFitParticleCharges) \
131 (PotentialParseHomologies) \
132 (PotentialSaveHomologies) \
[004d5c]133 (FillRegularGrid) \
[09eaac]134 (FillSurface) \
[d475a6]135 (ShapeCombineShapes) \
[f20da5]136 (ShapeCreateShape) \
[0b5057]137 (ShapeRemoveShape) \
[a2bbb1]138 (ShapeRotateShape) \
[29ea65]139 (ShapeStretchShape) \
[0b5057]140 (ShapeTranslateShape)
[004d5c]141
[786d28]142// extend list of actions in case levmar is available
[48d20d]143#ifdef HAVE_LEVMAR
144#define GLOBALLISTOFACTIONS_LEVMAR \
145 BOOST_PP_SEQ_PUSH_BACK( \
[786d28]146 GLOBALLISTOFACTIONS_initial, \
[f5724f]147 PotentialFitPotential \
[48d20d]148 )
149#else
150#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]151 GLOBALLISTOFACTIONS_initial
[48d20d]152#endif /* HAVE_LEVMAR */
153
154// define final list
[0d4168]155#ifdef HAVE_PYTHON
156#define GLOBALLISTOFACTIONS_PYTHON \
157 BOOST_PP_SEQ_PUSH_BACK( \
158 GLOBALLISTOFACTIONS_LEVMAR, \
159 CommandLoadSession \
160 )
161#else
162#define GLOBALLISTOFACTIONS_PYTHON \
163 GLOBALLISTOFACTIONS_LEVMAR
164#endif
165
166#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
167
168// define python list
169// skips CommandLoadSession as this causes dangerous infinite loops
170#define GLOBALLISTOFPYTHONACTIONS \
171 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]172
[83e90c]173#endif /* GLOBALLISTOFACTIONS_HPP_ */
174
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