source: src/Actions/GlobalListOfActions.hpp@ b8f64f

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 b8f64f was 94d5ac6, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: As we use GSL internally, we are as of now required to use GPL v2 license.

  • GNU Scientific Library is used at every place in the code, especially the sub-package LinearAlgebra is based on it which in turn is used really everywhere in the remainder of MoleCuilder. Hence, we have to use the GPL license for the whole of MoleCuilder. In effect, GPL's COPYING was present all along and stated the terms of the GPL v2 license.
  • Hence, I added the default GPL v2 disclaimer to every source file and removed the note about a (actually missing) LICENSE file.
  • also, I added a help-redistribute action which again gives the disclaimer of the GPL v2.
  • also, I changed in the disclaimer that is printed at every program start in builder_init.cpp.
  • TEST: Added check on GPL statement present in every module to test CodeChecks project-disclaimer.
  • 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) \
[94d5ac6]46 (CommandHelpRedistribute) \
[004d5c]47 (CommandBondLengthTable) \
48 (CommandFastParsing) \
49 (ParserSetTremoloAtomdata) \
50 (ParserParseTremoloPotentials) \
51 (ParserSaveSelectedAtomsAsExtTypes) \
52 (ParserSetParserParameters) \
53 (ParserSetOutputFormats) \
54 (AnalysisCalculateBoundingBox) \
55 (AnalysisCalculateCellVolume) \
56 (AnalysisCalculateMolarMass) \
57 (AnalysisDipoleAngularCorrelation) \
58 (AnalysisDipoleCorrelation) \
59 (AnalysisPairCorrelation) \
60 (AnalysisPointCorrelation) \
61 (AnalysisSurfaceCorrelation) \
62 (AnalysisMolecularVolume) \
63 (AnalysisPrincipalAxisSystem) \
64 (CommandSetRandomNumbersEngine) \
65 (CommandSetRandomNumbersDistribution) \
66 (Undo) \
67 (AtomSaveSelectedAtoms) \
68 (AtomRotateAroundOriginByAngle) \
69 (AtomChangeElement) \
70 (AtomRemove) \
71 (AtomTranslate) \
72 (AtomAdd) \
73 (WorldCenterInBox) \
74 (WorldRepeatBox) \
75 (WorldChangeBox) \
76 (WorldCenterOnEdge) \
77 (WorldSetWorldTime) \
78 (WorldSetBoundaryConditions) \
[5bcbc7]79 (WorldOutput) \
[072f0e]80 (WorldOutputAs) \
[004d5c]81 (WorldSetDefaultName) \
82 (WorldScaleBox) \
83 (WorldAddEmptyBoundary) \
84 (WorldBoundInBox) \
85 (WorldInput) \
86 (SelectionNotMoleculeOfAtom) \
87 (SelectionNotAllMolecules) \
88 (SelectionNotMoleculeById) \
89 (SelectionMoleculeByOrder) \
90 (SelectionMoleculeOfAtom) \
91 (SelectionNotMoleculeByOrder) \
92 (SelectionMoleculeByName) \
93 (SelectionMoleculeById) \
94 (SelectionAllMolecules) \
95 (SelectionClearAllMolecules) \
[ebc499]96 (SelectionInvertMolecules) \
[004d5c]97 (SelectionMoleculeByFormula) \
98 (SelectionNotMoleculeByFormula) \
99 (SelectionNotMoleculeByName) \
100 (SelectionNotAtomById) \
101 (SelectionNotAtomByOrder) \
102 (SelectionAllAtomsInsideCuboid) \
103 (SelectionAllAtoms) \
104 (SelectionClearAllAtoms) \
[ebc499]105 (SelectionInvertAtoms) \
[004d5c]106 (SelectionNotAllAtoms) \
107 (SelectionNotAtomByElement) \
108 (SelectionAllAtomsInsideSphere) \
109 (SelectionAllAtomsOfMolecule) \
110 (SelectionNotAllAtomsInsideSphere) \
111 (SelectionAtomByElement) \
112 (SelectionNotAllAtomsOfMolecule) \
113 (SelectionNotAllAtomsInsideCuboid) \
114 (SelectionAtomById) \
115 (SelectionAtomByOrder) \
116 (FragmentationFragmentation) \
117 (FillRegularGrid) \
118 (FillSphericalSurface)
119
120// we need to append the automation action in case we have the JobMarket
121#ifdef HAVE_JOBMARKET
122#define GLOBALLISTOFACTIONS \
123 BOOST_PP_SEQ_PUSH_BACK( \
124 GLOBALLISTOFACTIONS_initial, \
125 FragmentationFragmentationAutomation \
126 )
127#else
128#define GLOBALLISTOFACTIONS \
129 GLOBALLISTOFACTIONS_initial
130#endif /* HAVE_JOBMARKET */
[83e90c]131
132#endif /* GLOBALLISTOFACTIONS_HPP_ */
133
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