source: src/Actions/GlobalListOfActions.hpp@ 2a03b0

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 v1.4.6
Last change on this file since 2a03b0 was 786d28, checked in by Frederik Heber <heber@…>, 11 years ago

Lib..FragmentationAutomation and lib..Jobs now also compiled without JobMarket.

are also compiled, makes sense with upcoming MPQCCommandFragmentController.

  • must not compile SpecificFragmentController or MPQCFragmentController without JobMarket.
  • now requires libboost_iostreams.
  • this is due to MPQCCommandJob fiddling with streams to convert results.
  • 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#include <boost/preprocessor/seq/remove.hpp>
18
19// this is global list of actions valid for all cases
20#define GLOBALLISTOFACTIONS_initial \
21 (Redo) \
22 (GraphUpdateMolecules) \
23 (GraphCreateAdjacency) \
24 (GraphDepthFirstSearch) \
25 (GraphDestroyAdjacency) \
26 (GraphSubgraphDissection) \
27 (MoleculeSaveTemperature) \
28 (MoleculeCopy) \
29 (MoleculeSuspendInWater) \
30 (MoleculeFillWithMolecule) \
31 (MoleculeRotateToPrincipalAxisSystem) \
32 (MoleculeSaveAdjacency) \
33 (MoleculeFillVoidWithMolecule) \
34 (MoleculeVerletIntegration) \
35 (MoleculeChangeName) \
36 (MoleculeChangeBondAngle) \
37 (MoleculeRotateAroundSelfByAngle) \
38 (MoleculeSaveSelectedMolecules) \
39 (MoleculeSaveBonds) \
40 (MoleculeStretchBond) \
41 (MoleculeLinearInterpolationofTrajectories) \
42 (MoleculeLoad) \
43 (MoleculeBondFile) \
44 (TesselationNonConvexEnvelope) \
45 (TesselationConvexEnvelope) \
46 (CommandElementDb) \
47 (CommandBondLengthTable) \
48 (CommandFastParsing) \
49 (CommandHelp) \
50 (CommandHelpRedistribute) \
51 (CommandSetRandomNumbersEngine) \
52 (CommandSetRandomNumbersDistribution) \
53 (CommandStoreSession) \
54 (CommandVerbose) \
55 (CommandVersion) \
56 (CommandWarranty) \
57 (ParserSetTremoloAtomdata) \
58 (ParserParseTremoloPotentials) \
59 (ParserSaveSelectedAtomsAsExtTypes) \
60 (ParserSetParserParameters) \
61 (ParserSetOutputFormats) \
62 (AnalysisDipoleAngularCorrelation) \
63 (AnalysisDipoleCorrelation) \
64 (AnalysisPairCorrelation) \
65 (AnalysisPointCorrelation) \
66 (AnalysisSurfaceCorrelation) \
67 (AnalysisMolecularVolume) \
68 (AnalysisPrincipalAxisSystem) \
69 (Undo) \
70 (AtomSaveSelectedAtoms) \
71 (AtomRotateAroundOriginByAngle) \
72 (AtomChangeElement) \
73 (AtomRemove) \
74 (AtomTranslate) \
75 (AtomAdd) \
76 (BondAdd) \
77 (BondRemove) \
78 (WorldCenterInBox) \
79 (WorldRepeatBox) \
80 (WorldChangeBox) \
81 (WorldCenterOnEdge) \
82 (WorldSetWorldTime) \
83 (WorldSetBoundaryConditions) \
84 (WorldOutput) \
85 (WorldOutputAs) \
86 (WorldSetDefaultName) \
87 (WorldScaleBox) \
88 (WorldAddEmptyBoundary) \
89 (WorldBoundInBox) \
90 (WorldInput) \
91 (SelectionNotMoleculeOfAtom) \
92 (SelectionNotAllMolecules) \
93 (SelectionNotMoleculeById) \
94 (SelectionMoleculeByOrder) \
95 (SelectionMoleculeOfAtom) \
96 (SelectionNotMoleculeByOrder) \
97 (SelectionMoleculeByName) \
98 (SelectionMoleculeById) \
99 (SelectionAllMolecules) \
100 (SelectionClearAllMolecules) \
101 (SelectionInvertMolecules) \
102 (SelectionMoleculeByFormula) \
103 (SelectionNotMoleculeByFormula) \
104 (SelectionNotMoleculeByName) \
105 (SelectionNotAtomById) \
106 (SelectionNotAtomByOrder) \
107 (SelectionAllAtoms) \
108 (SelectionClearAllAtoms) \
109 (SelectionInvertAtoms) \
110 (SelectionNotAllAtoms) \
111 (SelectionNotAtomByElement) \
112 (SelectionAllAtomsInsideVolume) \
113 (SelectionAllAtomsOfMolecule) \
114 (SelectionNotAllAtomsInsideVolume) \
115 (SelectionAtomByElement) \
116 (SelectionNotAllAtomsOfMolecule) \
117 (SelectionAtomById) \
118 (SelectionAtomByOrder) \
119 (SelectionAllShapes) \
120 (SelectionShapeByName) \
121 (SelectionNotAllShapes) \
122 (SelectionNotShapeByName) \
123 (FragmentationAnalyseFragmentationResults) \
124 (FragmentationFragmentationAutomation) \
125 (FragmentationClearFragmentationResults) \
126 (FragmentationFragmentation) \
127 (FragmentationMolecularDynamics) \
128 (FragmentationParseFragmentJobs) \
129 (FragmentationStoreSaturatedFragment) \
130 (PotentialFitParticleCharges) \
131 (PotentialParseHomologies) \
132 (PotentialSaveHomologies) \
133 (FillRegularGrid) \
134 (FillSurface) \
135 (ShapeCombineShapes) \
136 (ShapeCreateShape) \
137 (ShapeRemoveShape) \
138 (ShapeRotateShape) \
139 (ShapeStretchShape) \
140 (ShapeTranslateShape)
141
142// extend list of actions in case levmar is available
143#ifdef HAVE_LEVMAR
144#define GLOBALLISTOFACTIONS_LEVMAR \
145 BOOST_PP_SEQ_PUSH_BACK( \
146 GLOBALLISTOFACTIONS_initial, \
147 PotentialFitPotential \
148 )
149#else
150#define GLOBALLISTOFACTIONS_LEVMAR \
151 GLOBALLISTOFACTIONS_initial
152#endif /* HAVE_LEVMAR */
153
154// define final list
155#ifdef HAVE_PYTHON
156#define GLOBALLISTOFACTIONS_PYTHON \
157 BOOST_PP_SEQ_PUSH_BACK( \
158 GLOBALLISTOFACTIONS_LEVMAR, \
159 CommandLoadSession \
160 )
161#else
162#define GLOBALLISTOFACTIONS_PYTHON \
163 GLOBALLISTOFACTIONS_LEVMAR
164#endif
165
166#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
167
168// define python list
169// skips CommandLoadSession as this causes dangerous infinite loops
170#define GLOBALLISTOFPYTHONACTIONS \
171 GLOBALLISTOFACTIONS_LEVMAR
172
173#endif /* GLOBALLISTOFACTIONS_HPP_ */
174
Note: See TracBrowser for help on using the repository browser.