source: src/Actions/GlobalListOfActions.hpp@ 3e52834

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 Candidate_v1.7.0 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 3e52834 was f3db60, checked in by Frederik Heber <heber@…>, 10 years ago

Added DryRun and NoDryRun actions.

  • actions (un)set a flag inside ActionQueue to which only those permitted by an advocate pattern have access.
  • added testsuite tests for both dry-run, no-dry-run, and storing sessions.
  • explained use of action in userguide.
  • Property mode set to 100644
File size: 5.2 KB
Line 
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
16#include <boost/preprocessor/seq/push_back.hpp>
17#include <boost/preprocessor/seq/remove.hpp>
18
19// this is global list of actions valid for all cases
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
22#define GLOBALLISTOFACTIONS_initial \
23 (Redo) \
24 (AnalysisAverageMoleculeForce) \
25 (AnalysisDipoleAngularCorrelation) \
26 (AnalysisDipoleCorrelation) \
27 (AnalysisMolecularVolume) \
28 (AnalysisPairCorrelation) \
29 (AnalysisPointCorrelation) \
30 (AnalysisPrincipalAxisSystem) \
31 (AnalysisSurfaceCorrelation) \
32 (AtomAdd) \
33 (AtomChangeElement) \
34 (AtomMirror) \
35 (AtomRemove) \
36 (AtomRotateAroundOriginByAngle) \
37 (AtomSaturate) \
38 (AtomSaveSelectedAtoms) \
39 (AtomTranslate) \
40 (AtomTranslateToOrigin) \
41 (BondAdd) \
42 (BondRemove) \
43 (CommandDryRun) \
44 (CommandElementDb) \
45 (CommandBondLengthTable) \
46 (CommandFastParsing) \
47 (CommandHelp) \
48 (CommandHelpRedistribute) \
49 (CommandNoDryRun) \
50 (CommandSetRandomNumbersEngine) \
51 (CommandSetRandomNumbersDistribution) \
52 (CommandStoreSession) \
53 (CommandVerbose) \
54 (CommandVersion) \
55 (CommandWarranty) \
56 (FillRegularGrid) \
57 (FillSurface) \
58 (FillSuspendInMolecule) \
59 (FillVolume) \
60 (FragmentationAnalyseFragmentationResults) \
61 (FragmentationClearFragmentationResults) \
62 (FragmentationFragmentation) \
63 (FragmentationFragmentationAutomation) \
64 (FragmentationMolecularDynamics) \
65 (FragmentationParseFragmentJobs) \
66 (FragmentationStoreSaturatedFragment) \
67 (FragmentationStructuralOptimization) \
68 (GraphUpdateMolecules) \
69 (GraphCorrectBondDegree) \
70 (GraphCreateAdjacency) \
71 (GraphDepthFirstSearch) \
72 (GraphDestroyAdjacency) \
73 (GraphSubgraphDissection) \
74 (MoleculeBondFile) \
75 (MoleculeChangeName) \
76 (MoleculeChangeBondAngle) \
77 (MoleculeCopy) \
78 (MoleculeForceAnnealing) \
79 (MoleculeLinearInterpolationofTrajectories) \
80 (MoleculeLoad) \
81 (MoleculeRemove) \
82 (MoleculeRotateAroundSelfByAngle) \
83 (MoleculeRotateToPrincipalAxisSystem) \
84 (MoleculeSaveAdjacency) \
85 (MoleculeSaveBonds) \
86 (MoleculeSaveSelectedMolecules) \
87 (MoleculeSaveTemperature) \
88 (MoleculeStretchBond) \
89 (MoleculeTranslate) \
90 (MoleculeVerletIntegration) \
91 (PotentialFitParticleCharges) \
92 (PotentialParseHomologies) \
93 (PotentialParsePotentials) \
94 (PotentialSaveHomologies) \
95 (PotentialSavePotentials) \
96 (ParserParseTremoloPotentials) \
97 (ParserSaveSelectedAtomsAsExtTypes) \
98 (ParserSetParserParameters) \
99 (ParserSetOutputFormats) \
100 (ParserSetTremoloAtomdata) \
101 (Undo) \
102 (SelectionAllAtoms) \
103 (SelectionAllAtomsInsideVolume) \
104 (SelectionAllAtomsOfMolecule) \
105 (SelectionAllMolecules) \
106 (SelectionAllShapes) \
107 (SelectionAtomByElement) \
108 (SelectionAtomById) \
109 (SelectionAtomByOrder) \
110 (SelectionClearAllAtoms) \
111 (SelectionClearAllMolecules) \
112 (SelectionInvertAtoms) \
113 (SelectionInvertMolecules) \
114 (SelectionMoleculeOfAtom) \
115 (SelectionMoleculeByFormula) \
116 (SelectionMoleculeById) \
117 (SelectionMoleculeByName) \
118 (SelectionMoleculeByOrder) \
119 (SelectionNotAllAtoms) \
120 (SelectionNotAllAtomsInsideVolume) \
121 (SelectionNotAllAtomsOfMolecule) \
122 (SelectionNotAllMolecules) \
123 (SelectionNotAllShapes) \
124 (SelectionNotAtomById) \
125 (SelectionNotAtomByElement) \
126 (SelectionNotAtomByOrder) \
127 (SelectionNotMoleculeOfAtom) \
128 (SelectionNotMoleculeByFormula) \
129 (SelectionNotMoleculeById) \
130 (SelectionNotMoleculeByName) \
131 (SelectionNotMoleculeByOrder) \
132 (SelectionNotShapeByName) \
133 (SelectionPopAtoms) \
134 (SelectionPushAtoms) \
135 (SelectionPopMolecules) \
136 (SelectionPushMolecules) \
137 (SelectionShapeByName) \
138 (ShapeCombineShapes) \
139 (ShapeCreateShape) \
140 (ShapeRemoveShape) \
141 (ShapeRotateShape) \
142 (ShapeStretchShape) \
143 (ShapeTranslateShape) \
144 (TesselationConvexEnvelope) \
145 (TesselationNonConvexEnvelope) \
146 (WorldAddEmptyBoundary) \
147 (WorldBoundInBox) \
148 (WorldCenterInBox) \
149 (WorldCenterOnEdge) \
150 (WorldChangeBox) \
151 (WorldInput) \
152 (WorldOutput) \
153 (WorldOutputAs) \
154 (WorldRepeatBox) \
155 (WorldScaleBox) \
156 (WorldSetBoundaryConditions) \
157 (WorldSetDefaultName) \
158 (WorldSetWorldTime)
159
160// extend list of actions in case levmar is available
161#ifdef HAVE_LEVMAR
162#define GLOBALLISTOFACTIONS_LEVMAR \
163 BOOST_PP_SEQ_PUSH_BACK( \
164 BOOST_PP_SEQ_PUSH_BACK( \
165 GLOBALLISTOFACTIONS_initial, \
166 PotentialFitPotential \
167 ), \
168 PotentialFitCompoundPotential \
169 )
170#else
171#define GLOBALLISTOFACTIONS_LEVMAR \
172 GLOBALLISTOFACTIONS_initial
173#endif /* HAVE_LEVMAR */
174
175// define final list
176#ifdef HAVE_PYTHON
177#define GLOBALLISTOFACTIONS_PYTHON \
178 BOOST_PP_SEQ_PUSH_BACK( \
179 GLOBALLISTOFACTIONS_LEVMAR, \
180 CommandLoadSession \
181 )
182#else
183#define GLOBALLISTOFACTIONS_PYTHON \
184 GLOBALLISTOFACTIONS_LEVMAR
185#endif
186
187#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
188
189// define python list
190// skips CommandLoadSession as this causes dangerous infinite loops
191#define GLOBALLISTOFPYTHONACTIONS \
192 GLOBALLISTOFACTIONS_LEVMAR
193
194#endif /* GLOBALLISTOFACTIONS_HPP_ */
195
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