source: src/Actions/GlobalListOfActions.hpp@ be374a

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 be374a was 004d5c, checked in by Frederik Heber <heber@…>, 13 years ago

Removed JobMarket as it is now in its own repository.

  • added ax_jobmarket.m4.
  • added check to configure.ac
  • Removed libraries libJobMarket... in Makefile.am's, replaced by JobMarket_..._LIBS.
  • changed some includes that now required JobMarket/ prefix.

Larger change to get JobMarket including its tests out of MoleCuilder:

  • configure has new enable-switch for JobMarket. Only then, we tests for its presence and usability (and also for boost::asio).
  • I do not know how to check for AM_CONDITIONAL or config.h values properly in a shell. Hence, I moved all regression tests dealing with the JobMarket into their own folder tests/JobMarket with depends on CONDJOBMARKET whether its included or not, similar to tests/Python.
  • TESTFIX: regression tests moved to tests/JobMarket have their paths changed.
  • FragmentationAutomationAction is now conditionally compiled in as well.
  • some Makefile.am's changed because we now have JobMarket_CFLAGS and _LIBS similar CodePatterns.
  • We use boost::preprocessor to add it dependently on HAVE_JOBMARKET to src/Actions/GlobalListOfActions.
  • TESTFIX: The former required a small change to CodeChecks test testsuite-globallistofactions_hpp as we can check no longer for the action name within brackets there.
  • FIX: I removed some unnecessary includes (defs.hpp) from MPQCCommandJob...hpp into the .cpp files.
  • Property mode set to 100644
File size: 3.5 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>
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 (MoleculeRotateAroundSelfByAngle) \
34 (MoleculeSaveSelectedMolecules) \
35 (MoleculeSaveBonds) \
36 (MoleculeLinearInterpolationofTrajectories) \
37 (MoleculeLoad) \
38 (MoleculeBondFile) \
39 (TesselationNonConvexEnvelope) \
40 (TesselationConvexEnvelope) \
41 (CommandElementDb) \
42 (CommandVerbose) \
43 (CommandWarranty) \
44 (CommandVersion) \
45 (CommandHelp) \
46 (CommandBondLengthTable) \
47 (CommandFastParsing) \
48 (ParserSetTremoloAtomdata) \
49 (ParserParseTremoloPotentials) \
50 (ParserSaveSelectedAtomsAsExtTypes) \
51 (ParserSetParserParameters) \
52 (ParserSetOutputFormats) \
53 (AnalysisCalculateBoundingBox) \
54 (AnalysisCalculateCellVolume) \
55 (AnalysisCalculateMolarMass) \
56 (AnalysisDipoleAngularCorrelation) \
57 (AnalysisDipoleCorrelation) \
58 (AnalysisPairCorrelation) \
59 (AnalysisPointCorrelation) \
60 (AnalysisSurfaceCorrelation) \
61 (AnalysisMolecularVolume) \
62 (AnalysisPrincipalAxisSystem) \
63 (CommandSetRandomNumbersEngine) \
64 (CommandSetRandomNumbersDistribution) \
65 (Undo) \
66 (AtomSaveSelectedAtoms) \
67 (AtomRotateAroundOriginByAngle) \
68 (AtomChangeElement) \
69 (AtomRemove) \
70 (AtomTranslate) \
71 (AtomAdd) \
72 (WorldCenterInBox) \
73 (WorldRepeatBox) \
74 (WorldChangeBox) \
75 (WorldCenterOnEdge) \
76 (WorldSetWorldTime) \
77 (WorldSetBoundaryConditions) \
78 (WorldOutput) \
79 (WorldSetDefaultName) \
80 (WorldScaleBox) \
81 (WorldAddEmptyBoundary) \
82 (WorldBoundInBox) \
83 (WorldInput) \
84 (SelectionNotMoleculeOfAtom) \
85 (SelectionNotAllMolecules) \
86 (SelectionNotMoleculeById) \
87 (SelectionMoleculeByOrder) \
88 (SelectionMoleculeOfAtom) \
89 (SelectionNotMoleculeByOrder) \
90 (SelectionMoleculeByName) \
91 (SelectionMoleculeById) \
92 (SelectionAllMolecules) \
93 (SelectionClearAllMolecules) \
[ebc499]94 (SelectionInvertMolecules) \
[004d5c]95 (SelectionMoleculeByFormula) \
96 (SelectionNotMoleculeByFormula) \
97 (SelectionNotMoleculeByName) \
98 (SelectionNotAtomById) \
99 (SelectionNotAtomByOrder) \
100 (SelectionAllAtomsInsideCuboid) \
101 (SelectionAllAtoms) \
102 (SelectionClearAllAtoms) \
[ebc499]103 (SelectionInvertAtoms) \
[004d5c]104 (SelectionNotAllAtoms) \
105 (SelectionNotAtomByElement) \
106 (SelectionAllAtomsInsideSphere) \
107 (SelectionAllAtomsOfMolecule) \
108 (SelectionNotAllAtomsInsideSphere) \
109 (SelectionAtomByElement) \
110 (SelectionNotAllAtomsOfMolecule) \
111 (SelectionNotAllAtomsInsideCuboid) \
112 (SelectionAtomById) \
113 (SelectionAtomByOrder) \
114 (FragmentationFragmentation) \
115 (FillRegularGrid) \
116 (FillSphericalSurface)
117
118// we need to append the automation action in case we have the JobMarket
119#ifdef HAVE_JOBMARKET
120#define GLOBALLISTOFACTIONS \
121 BOOST_PP_SEQ_PUSH_BACK( \
122 GLOBALLISTOFACTIONS_initial, \
123 FragmentationFragmentationAutomation \
124 )
125#else
126#define GLOBALLISTOFACTIONS \
127 GLOBALLISTOFACTIONS_initial
128#endif /* HAVE_JOBMARKET */
[83e90c]129
130#endif /* GLOBALLISTOFACTIONS_HPP_ */
131
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