source: src/Actions/GlobalListOfActions.hpp@ d058e6

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 d058e6 was 8b886f, checked in by Frederik Heber <heber@…>, 13 years ago

Added ChangeBondAngleAction that changes the bond angle while keeping the distance.

  • also added regression tests with undo/redo.
  • Property mode set to 100644
File size: 3.7 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
18// this is global list of actions valid for all cases
19#define GLOBALLISTOFACTIONS_initial \
20 (Redo) \
21 (GraphSubgraphDissection) \
22 (GraphCreateAdjacency) \
23 (GraphDepthFirstSearch) \
24 (MoleculeSaveTemperature) \
25 (MoleculeCopy) \
26 (MoleculeSuspendInWater) \
27 (MoleculeFillWithMolecule) \
28 (MoleculeRotateToPrincipalAxisSystem) \
29 (MoleculeSaveAdjacency) \
30 (MoleculeFillVoidWithMolecule) \
31 (MoleculeVerletIntegration) \
32 (MoleculeChangeName) \
33 (MoleculeChangeBondAngle) \
34 (MoleculeRotateAroundSelfByAngle) \
35 (MoleculeSaveSelectedMolecules) \
36 (MoleculeSaveBonds) \
37 (MoleculeStretchBond) \
38 (MoleculeLinearInterpolationofTrajectories) \
39 (MoleculeLoad) \
40 (MoleculeBondFile) \
41 (TesselationNonConvexEnvelope) \
42 (TesselationConvexEnvelope) \
43 (CommandElementDb) \
44 (CommandVerbose) \
45 (CommandWarranty) \
46 (CommandVersion) \
47 (CommandHelp) \
48 (CommandHelpRedistribute) \
49 (CommandBondLengthTable) \
50 (CommandFastParsing) \
51 (ParserSetTremoloAtomdata) \
52 (ParserParseTremoloPotentials) \
53 (ParserSaveSelectedAtomsAsExtTypes) \
54 (ParserSetParserParameters) \
55 (ParserSetOutputFormats) \
56 (AnalysisCalculateBoundingBox) \
57 (AnalysisCalculateCellVolume) \
58 (AnalysisCalculateMolarMass) \
59 (AnalysisDipoleAngularCorrelation) \
60 (AnalysisDipoleCorrelation) \
61 (AnalysisPairCorrelation) \
62 (AnalysisPointCorrelation) \
63 (AnalysisSurfaceCorrelation) \
64 (AnalysisMolecularVolume) \
65 (AnalysisPrincipalAxisSystem) \
66 (CommandSetRandomNumbersEngine) \
67 (CommandSetRandomNumbersDistribution) \
68 (Undo) \
69 (AtomSaveSelectedAtoms) \
70 (AtomRotateAroundOriginByAngle) \
71 (AtomChangeElement) \
72 (AtomRemove) \
73 (AtomTranslate) \
74 (AtomAdd) \
75 (BondAdd) \
76 (BondRemove) \
77 (WorldCenterInBox) \
78 (WorldRepeatBox) \
79 (WorldChangeBox) \
80 (WorldCenterOnEdge) \
81 (WorldSetWorldTime) \
82 (WorldSetBoundaryConditions) \
83 (WorldOutput) \
84 (WorldOutputAs) \
85 (WorldSetDefaultName) \
86 (WorldScaleBox) \
87 (WorldAddEmptyBoundary) \
88 (WorldBoundInBox) \
89 (WorldInput) \
90 (SelectionNotMoleculeOfAtom) \
91 (SelectionNotAllMolecules) \
92 (SelectionNotMoleculeById) \
93 (SelectionMoleculeByOrder) \
94 (SelectionMoleculeOfAtom) \
95 (SelectionNotMoleculeByOrder) \
96 (SelectionMoleculeByName) \
97 (SelectionMoleculeById) \
98 (SelectionAllMolecules) \
99 (SelectionClearAllMolecules) \
100 (SelectionInvertMolecules) \
101 (SelectionMoleculeByFormula) \
102 (SelectionNotMoleculeByFormula) \
103 (SelectionNotMoleculeByName) \
104 (SelectionNotAtomById) \
105 (SelectionNotAtomByOrder) \
106 (SelectionAllAtoms) \
107 (SelectionClearAllAtoms) \
108 (SelectionInvertAtoms) \
109 (SelectionNotAllAtoms) \
110 (SelectionNotAtomByElement) \
111 (SelectionAllAtomsInsideVolume) \
112 (SelectionAllAtomsOfMolecule) \
113 (SelectionNotAllAtomsInsideVolume) \
114 (SelectionAtomByElement) \
115 (SelectionNotAllAtomsOfMolecule) \
116 (SelectionAtomById) \
117 (SelectionAtomByOrder) \
118 (SelectionAllShapes) \
119 (SelectionShapeByName) \
120 (SelectionNotAllShapes) \
121 (SelectionNotShapeByName) \
122 (FragmentationFragmentation) \
123 (FillRegularGrid) \
124 (FillSurface) \
125 (ShapeCombineShapes) \
126 (ShapeCreateShape) \
127 (ShapeRemoveShape)
128
129// we need to append the automation action in case we have the JobMarket
130#ifdef HAVE_JOBMARKET
131#define GLOBALLISTOFACTIONS \
132 BOOST_PP_SEQ_PUSH_BACK( \
133 GLOBALLISTOFACTIONS_initial, \
134 FragmentationFragmentationAutomation \
135 )
136#else
137#define GLOBALLISTOFACTIONS \
138 GLOBALLISTOFACTIONS_initial
139#endif /* HAVE_JOBMARKET */
140
141#endif /* GLOBALLISTOFACTIONS_HPP_ */
142
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