source: src/Actions/GlobalListOfActions.hpp@ f5724f

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 f5724f was f5724f, checked in by Frederik Heber <heber@…>, 12 years ago

Moved all FragmentationActions related to potentials into own menu and folder.

  • changed class names Fragmentation... -> Potential...
  • changed tokens in GlobalListOfActions.
  • added menu entry "potential" and CommandLineParser program_options variable.
  • moved regression tests into own folder as well and renamed folder in files.
  • Property mode set to 100644
File size: 4.6 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 (GraphUpdateMolecules) \
22 (GraphCreateAdjacency) \
23 (GraphDepthFirstSearch) \
24 (GraphDestroyAdjacency) \
25 (GraphSubgraphDissection) \
26 (MoleculeSaveTemperature) \
27 (MoleculeCopy) \
28 (MoleculeSuspendInWater) \
29 (MoleculeFillWithMolecule) \
30 (MoleculeRotateToPrincipalAxisSystem) \
31 (MoleculeSaveAdjacency) \
32 (MoleculeFillVoidWithMolecule) \
33 (MoleculeVerletIntegration) \
34 (MoleculeChangeName) \
35 (MoleculeChangeBondAngle) \
36 (MoleculeRotateAroundSelfByAngle) \
37 (MoleculeSaveSelectedMolecules) \
38 (MoleculeSaveBonds) \
39 (MoleculeStretchBond) \
40 (MoleculeLinearInterpolationofTrajectories) \
41 (MoleculeLoad) \
42 (MoleculeBondFile) \
43 (TesselationNonConvexEnvelope) \
44 (TesselationConvexEnvelope) \
45 (CommandElementDb) \
46 (CommandVerbose) \
47 (CommandWarranty) \
48 (CommandVersion) \
49 (CommandHelp) \
50 (CommandHelpRedistribute) \
51 (CommandBondLengthTable) \
52 (CommandFastParsing) \
53 (ParserSetTremoloAtomdata) \
54 (ParserParseTremoloPotentials) \
55 (ParserSaveSelectedAtomsAsExtTypes) \
56 (ParserSetParserParameters) \
57 (ParserSetOutputFormats) \
58 (AnalysisCalculateBoundingBox) \
59 (AnalysisCalculateCellVolume) \
60 (AnalysisCalculateMolarMass) \
61 (AnalysisDipoleAngularCorrelation) \
62 (AnalysisDipoleCorrelation) \
63 (AnalysisPairCorrelation) \
64 (AnalysisPointCorrelation) \
65 (AnalysisSurfaceCorrelation) \
66 (AnalysisMolecularVolume) \
67 (AnalysisPrincipalAxisSystem) \
68 (CommandSetRandomNumbersEngine) \
69 (CommandSetRandomNumbersDistribution) \
70 (Undo) \
71 (AtomSaveSelectedAtoms) \
72 (AtomRotateAroundOriginByAngle) \
73 (AtomChangeElement) \
74 (AtomRemove) \
75 (AtomTranslate) \
76 (AtomAdd) \
77 (BondAdd) \
78 (BondRemove) \
79 (WorldCenterInBox) \
80 (WorldRepeatBox) \
81 (WorldChangeBox) \
82 (WorldCenterOnEdge) \
83 (WorldSetWorldTime) \
84 (WorldSetBoundaryConditions) \
85 (WorldOutput) \
86 (WorldOutputAs) \
87 (WorldSetDefaultName) \
88 (WorldScaleBox) \
89 (WorldAddEmptyBoundary) \
90 (WorldBoundInBox) \
91 (WorldInput) \
92 (SelectionNotMoleculeOfAtom) \
93 (SelectionNotAllMolecules) \
94 (SelectionNotMoleculeById) \
95 (SelectionMoleculeByOrder) \
96 (SelectionMoleculeOfAtom) \
97 (SelectionNotMoleculeByOrder) \
98 (SelectionMoleculeByName) \
99 (SelectionMoleculeById) \
100 (SelectionAllMolecules) \
101 (SelectionClearAllMolecules) \
102 (SelectionInvertMolecules) \
103 (SelectionMoleculeByFormula) \
104 (SelectionNotMoleculeByFormula) \
105 (SelectionNotMoleculeByName) \
106 (SelectionNotAtomById) \
107 (SelectionNotAtomByOrder) \
108 (SelectionAllAtoms) \
109 (SelectionClearAllAtoms) \
110 (SelectionInvertAtoms) \
111 (SelectionNotAllAtoms) \
112 (SelectionNotAtomByElement) \
113 (SelectionAllAtomsInsideVolume) \
114 (SelectionAllAtomsOfMolecule) \
115 (SelectionNotAllAtomsInsideVolume) \
116 (SelectionAtomByElement) \
117 (SelectionNotAllAtomsOfMolecule) \
118 (SelectionAtomById) \
119 (SelectionAtomByOrder) \
120 (SelectionAllShapes) \
121 (SelectionShapeByName) \
122 (SelectionNotAllShapes) \
123 (SelectionNotShapeByName) \
124 (FragmentationAnalyseFragmentationResults) \
125 (FragmentationFragmentation) \
126 (FragmentationStoreSaturatedFragment) \
127 (PotentialFitParticleCharges) \
128 (PotentialParseHomologies) \
129 (PotentialSaveHomologies) \
130 (FillRegularGrid) \
131 (FillSurface) \
132 (ShapeCombineShapes) \
133 (ShapeCreateShape) \
134 (ShapeRemoveShape) \
135 (ShapeRotateShape) \
136 (ShapeStretchShape) \
137 (ShapeTranslateShape)
138
139// we need to append the automation action in case we have the JobMarket
140#ifdef HAVE_JOBMARKET
141#define GLOBALLISTOFACTIONS_JOBMARKET \
142 BOOST_PP_SEQ_PUSH_BACK( \
143 BOOST_PP_SEQ_PUSH_BACK( \
144 BOOST_PP_SEQ_PUSH_BACK( \
145 GLOBALLISTOFACTIONS_initial, \
146 FragmentationFragmentationAutomation \
147 ), \
148 FragmentationMolecularDynamics \
149 ), \
150 FragmentationParseFragmentJobs \
151 )
152#else
153#define GLOBALLISTOFACTIONS_JOBMARKET \
154 GLOBALLISTOFACTIONS_initial
155#endif /* HAVE_JOBMARKET */
156
157#ifdef HAVE_LEVMAR
158#define GLOBALLISTOFACTIONS_LEVMAR \
159 BOOST_PP_SEQ_PUSH_BACK( \
160 GLOBALLISTOFACTIONS_JOBMARKET, \
161 PotentialFitPotential \
162 )
163#else
164#define GLOBALLISTOFACTIONS_LEVMAR \
165 GLOBALLISTOFACTIONS_JOBMARKET
166#endif /* HAVE_LEVMAR */
167
168// define final list
169#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_LEVMAR
170
171#endif /* GLOBALLISTOFACTIONS_HPP_ */
172
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