source: src/Actions/GlobalListOfActions.hpp@ 163110

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 163110 was e5f61ba, checked in by Frederik Heber <heber@…>, 11 years ago

Added MakroAction StructureOptimizationAction.
  • Property mode set to 100644
File size: 4.8 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) \
[442495]24 (AnalysisDipoleAngularCorrelation) \
25 (AnalysisDipoleCorrelation) \
26 (AnalysisMolecularVolume) \
27 (AnalysisPairCorrelation) \
28 (AnalysisPointCorrelation) \
29 (AnalysisPrincipalAxisSystem) \
30 (AnalysisSurfaceCorrelation) \
31 (AtomAdd) \
32 (AtomChangeElement) \
33 (AtomRemove) \
34 (AtomRotateAroundOriginByAngle) \
35 (AtomSaveSelectedAtoms) \
36 (AtomTranslate) \
37 (BondAdd) \
38 (BondRemove) \
39 (CommandElementDb) \
40 (CommandBondLengthTable) \
41 (CommandFastParsing) \
42 (CommandHelp) \
43 (CommandHelpRedistribute) \
44 (CommandSetRandomNumbersEngine) \
45 (CommandSetRandomNumbersDistribution) \
46 (CommandStoreSession) \
47 (CommandVerbose) \
48 (CommandVersion) \
49 (CommandWarranty) \
50 (FillRegularGrid) \
51 (FillSurface) \
52 (FragmentationAnalyseFragmentationResults) \
53 (FragmentationClearFragmentationResults) \
54 (FragmentationFragmentation) \
55 (FragmentationFragmentationAutomation) \
56 (FragmentationMolecularDynamics) \
57 (FragmentationParseFragmentJobs) \
58 (FragmentationStoreSaturatedFragment) \
[e5f61ba]59 (FragmentationStructuralOptimization) \
[22b786]60 (GraphUpdateMolecules) \
[343c5a]61 (GraphCorrectBondDegree) \
[004d5c]62 (GraphCreateAdjacency) \
63 (GraphDepthFirstSearch) \
[560cbf]64 (GraphDestroyAdjacency) \
[22b786]65 (GraphSubgraphDissection) \
[442495]66 (MoleculeBondFile) \
67 (MoleculeChangeName) \
68 (MoleculeChangeBondAngle) \
[004d5c]69 (MoleculeCopy) \
70 (MoleculeFillWithMolecule) \
71 (MoleculeFillVoidWithMolecule) \
[1a48d2]72 (MoleculeForceAnnealing) \
[442495]73 (MoleculeLinearInterpolationofTrajectories) \
74 (MoleculeLoad) \
[004d5c]75 (MoleculeRotateAroundSelfByAngle) \
[442495]76 (MoleculeRotateToPrincipalAxisSystem) \
77 (MoleculeSaveAdjacency) \
[004d5c]78 (MoleculeSaveBonds) \
[442495]79 (MoleculeSaveSelectedMolecules) \
80 (MoleculeSaveTemperature) \
[3a51bd]81 (MoleculeStretchBond) \
[442495]82 (MoleculeSuspendInWater) \
83 (MoleculeVerletIntegration) \
84 (PotentialFitParticleCharges) \
85 (PotentialParseHomologies) \
86 (PotentialSaveHomologies) \
[004d5c]87 (ParserParseTremoloPotentials) \
88 (ParserSaveSelectedAtomsAsExtTypes) \
89 (ParserSetParserParameters) \
90 (ParserSetOutputFormats) \
[442495]91 (ParserSetTremoloAtomdata) \
[004d5c]92 (Undo) \
[442495]93 (SelectionAllAtoms) \
94 (SelectionAllAtomsInsideVolume) \
95 (SelectionAllAtomsOfMolecule) \
[004d5c]96 (SelectionAllMolecules) \
[442495]97 (SelectionAllShapes) \
98 (SelectionAtomByElement) \
99 (SelectionAtomById) \
100 (SelectionAtomByOrder) \
101 (SelectionClearAllAtoms) \
[004d5c]102 (SelectionClearAllMolecules) \
[442495]103 (SelectionInvertAtoms) \
[ebc499]104 (SelectionInvertMolecules) \
[442495]105 (SelectionMoleculeOfAtom) \
[004d5c]106 (SelectionMoleculeByFormula) \
[442495]107 (SelectionMoleculeById) \
108 (SelectionMoleculeByName) \
109 (SelectionMoleculeByOrder) \
[004d5c]110 (SelectionNotAllAtoms) \
[eff536]111 (SelectionNotAllAtomsInsideVolume) \
[004d5c]112 (SelectionNotAllAtomsOfMolecule) \
[442495]113 (SelectionNotAllMolecules) \
[a27dcb]114 (SelectionNotAllShapes) \
[442495]115 (SelectionNotAtomById) \
116 (SelectionNotAtomByElement) \
117 (SelectionNotAtomByOrder) \
118 (SelectionNotMoleculeOfAtom) \
119 (SelectionNotMoleculeByFormula) \
120 (SelectionNotMoleculeById) \
121 (SelectionNotMoleculeByName) \
122 (SelectionNotMoleculeByOrder) \
[2c004d]123 (SelectionNotShapeByName) \
[442495]124 (SelectionShapeByName) \
[d475a6]125 (ShapeCombineShapes) \
[f20da5]126 (ShapeCreateShape) \
[0b5057]127 (ShapeRemoveShape) \
[a2bbb1]128 (ShapeRotateShape) \
[29ea65]129 (ShapeStretchShape) \
[442495]130 (ShapeTranslateShape) \
131 (TesselationConvexEnvelope) \
132 (TesselationNonConvexEnvelope) \
133 (WorldAddEmptyBoundary) \
134 (WorldBoundInBox) \
135 (WorldCenterInBox) \
136 (WorldCenterOnEdge) \
137 (WorldChangeBox) \
138 (WorldInput) \
139 (WorldOutput) \
140 (WorldOutputAs) \
141 (WorldRepeatBox) \
142 (WorldScaleBox) \
143 (WorldSetBoundaryConditions) \
144 (WorldSetDefaultName) \
145 (WorldSetWorldTime)
[004d5c]146
[786d28]147// extend list of actions in case levmar is available
[48d20d]148#ifdef HAVE_LEVMAR
149#define GLOBALLISTOFACTIONS_LEVMAR \
150 BOOST_PP_SEQ_PUSH_BACK( \
[786d28]151 GLOBALLISTOFACTIONS_initial, \
[f5724f]152 PotentialFitPotential \
[48d20d]153 )
154#else
155#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]156 GLOBALLISTOFACTIONS_initial
[48d20d]157#endif /* HAVE_LEVMAR */
158
159// define final list
[0d4168]160#ifdef HAVE_PYTHON
161#define GLOBALLISTOFACTIONS_PYTHON \
162 BOOST_PP_SEQ_PUSH_BACK( \
163 GLOBALLISTOFACTIONS_LEVMAR, \
164 CommandLoadSession \
165 )
166#else
167#define GLOBALLISTOFACTIONS_PYTHON \
168 GLOBALLISTOFACTIONS_LEVMAR
169#endif
170
171#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
172
173// define python list
174// skips CommandLoadSession as this causes dangerous infinite loops
175#define GLOBALLISTOFPYTHONACTIONS \
176 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]177
[83e90c]178#endif /* GLOBALLISTOFACTIONS_HPP_ */
179
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