source: src/Actions/GlobalListOfActions.hpp@ c01fec

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
Last change on this file since c01fec was 867473, checked in by Frederik Heber <heber@…>, 10 years ago

Added new RemoveAction for molecules.

  • also add regression test.
  • added remove-molecule to userguide.
  • Property mode set to 100644
File size: 5.0 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>
[975b83]17#include <boost/preprocessor/seq/remove.hpp>
[004d5c]18
19// this is global list of actions valid for all cases
[442495]20// PLEASE adhere to the alphabetical ordering of the list of Actions
21// NOTE that Redo must remain at the front due to technical reasons
[004d5c]22#define GLOBALLISTOFACTIONS_initial \
23 (Redo) \
[f4b626a]24 (AnalysisAverageMoleculeForce) \
[442495]25 (AnalysisDipoleAngularCorrelation) \
26 (AnalysisDipoleCorrelation) \
27 (AnalysisMolecularVolume) \
28 (AnalysisPairCorrelation) \
29 (AnalysisPointCorrelation) \
30 (AnalysisPrincipalAxisSystem) \
31 (AnalysisSurfaceCorrelation) \
32 (AtomAdd) \
33 (AtomChangeElement) \
[bbf6dc]34 (AtomMirror) \
[442495]35 (AtomRemove) \
36 (AtomRotateAroundOriginByAngle) \
37 (AtomSaveSelectedAtoms) \
38 (AtomTranslate) \
[c7fe90]39 (AtomTranslateToOrigin) \
[442495]40 (BondAdd) \
41 (BondRemove) \
42 (CommandElementDb) \
43 (CommandBondLengthTable) \
44 (CommandFastParsing) \
45 (CommandHelp) \
46 (CommandHelpRedistribute) \
47 (CommandSetRandomNumbersEngine) \
48 (CommandSetRandomNumbersDistribution) \
49 (CommandStoreSession) \
50 (CommandVerbose) \
51 (CommandVersion) \
52 (CommandWarranty) \
53 (FillRegularGrid) \
54 (FillSurface) \
[aa55d0]55 (FillSuspendInMolecule) \
[6801f4]56 (FillVolume) \
[442495]57 (FragmentationAnalyseFragmentationResults) \
58 (FragmentationClearFragmentationResults) \
59 (FragmentationFragmentation) \
60 (FragmentationFragmentationAutomation) \
61 (FragmentationMolecularDynamics) \
62 (FragmentationParseFragmentJobs) \
63 (FragmentationStoreSaturatedFragment) \
[e5f61ba]64 (FragmentationStructuralOptimization) \
[22b786]65 (GraphUpdateMolecules) \
[343c5a]66 (GraphCorrectBondDegree) \
[004d5c]67 (GraphCreateAdjacency) \
68 (GraphDepthFirstSearch) \
[560cbf]69 (GraphDestroyAdjacency) \
[22b786]70 (GraphSubgraphDissection) \
[442495]71 (MoleculeBondFile) \
72 (MoleculeChangeName) \
73 (MoleculeChangeBondAngle) \
[004d5c]74 (MoleculeCopy) \
[1a48d2]75 (MoleculeForceAnnealing) \
[442495]76 (MoleculeLinearInterpolationofTrajectories) \
77 (MoleculeLoad) \
[867473]78 (MoleculeRemove) \
[004d5c]79 (MoleculeRotateAroundSelfByAngle) \
[442495]80 (MoleculeRotateToPrincipalAxisSystem) \
81 (MoleculeSaveAdjacency) \
[004d5c]82 (MoleculeSaveBonds) \
[442495]83 (MoleculeSaveSelectedMolecules) \
84 (MoleculeSaveTemperature) \
[3a51bd]85 (MoleculeStretchBond) \
[442495]86 (MoleculeVerletIntegration) \
87 (PotentialFitParticleCharges) \
88 (PotentialParseHomologies) \
[f1eabd]89 (PotentialParsePotentials) \
[442495]90 (PotentialSaveHomologies) \
[0ea063]91 (PotentialSavePotentials) \
[004d5c]92 (ParserParseTremoloPotentials) \
93 (ParserSaveSelectedAtomsAsExtTypes) \
94 (ParserSetParserParameters) \
95 (ParserSetOutputFormats) \
[442495]96 (ParserSetTremoloAtomdata) \
[004d5c]97 (Undo) \
[442495]98 (SelectionAllAtoms) \
99 (SelectionAllAtomsInsideVolume) \
100 (SelectionAllAtomsOfMolecule) \
[004d5c]101 (SelectionAllMolecules) \
[442495]102 (SelectionAllShapes) \
103 (SelectionAtomByElement) \
104 (SelectionAtomById) \
105 (SelectionAtomByOrder) \
106 (SelectionClearAllAtoms) \
[004d5c]107 (SelectionClearAllMolecules) \
[442495]108 (SelectionInvertAtoms) \
[ebc499]109 (SelectionInvertMolecules) \
[442495]110 (SelectionMoleculeOfAtom) \
[004d5c]111 (SelectionMoleculeByFormula) \
[442495]112 (SelectionMoleculeById) \
113 (SelectionMoleculeByName) \
114 (SelectionMoleculeByOrder) \
[004d5c]115 (SelectionNotAllAtoms) \
[eff536]116 (SelectionNotAllAtomsInsideVolume) \
[004d5c]117 (SelectionNotAllAtomsOfMolecule) \
[442495]118 (SelectionNotAllMolecules) \
[a27dcb]119 (SelectionNotAllShapes) \
[442495]120 (SelectionNotAtomById) \
121 (SelectionNotAtomByElement) \
122 (SelectionNotAtomByOrder) \
123 (SelectionNotMoleculeOfAtom) \
124 (SelectionNotMoleculeByFormula) \
125 (SelectionNotMoleculeById) \
126 (SelectionNotMoleculeByName) \
127 (SelectionNotMoleculeByOrder) \
[2c004d]128 (SelectionNotShapeByName) \
[442495]129 (SelectionShapeByName) \
[d475a6]130 (ShapeCombineShapes) \
[f20da5]131 (ShapeCreateShape) \
[0b5057]132 (ShapeRemoveShape) \
[a2bbb1]133 (ShapeRotateShape) \
[29ea65]134 (ShapeStretchShape) \
[442495]135 (ShapeTranslateShape) \
136 (TesselationConvexEnvelope) \
137 (TesselationNonConvexEnvelope) \
138 (WorldAddEmptyBoundary) \
139 (WorldBoundInBox) \
140 (WorldCenterInBox) \
141 (WorldCenterOnEdge) \
142 (WorldChangeBox) \
143 (WorldInput) \
144 (WorldOutput) \
145 (WorldOutputAs) \
146 (WorldRepeatBox) \
147 (WorldScaleBox) \
148 (WorldSetBoundaryConditions) \
149 (WorldSetDefaultName) \
150 (WorldSetWorldTime)
[004d5c]151
[786d28]152// extend list of actions in case levmar is available
[48d20d]153#ifdef HAVE_LEVMAR
154#define GLOBALLISTOFACTIONS_LEVMAR \
155 BOOST_PP_SEQ_PUSH_BACK( \
[98d166]156 BOOST_PP_SEQ_PUSH_BACK( \
157 GLOBALLISTOFACTIONS_initial, \
158 PotentialFitPotential \
159 ), \
160 PotentialFitCompoundPotential \
[48d20d]161 )
162#else
163#define GLOBALLISTOFACTIONS_LEVMAR \
[786d28]164 GLOBALLISTOFACTIONS_initial
[48d20d]165#endif /* HAVE_LEVMAR */
166
167// define final list
[0d4168]168#ifdef HAVE_PYTHON
169#define GLOBALLISTOFACTIONS_PYTHON \
170 BOOST_PP_SEQ_PUSH_BACK( \
171 GLOBALLISTOFACTIONS_LEVMAR, \
172 CommandLoadSession \
173 )
174#else
175#define GLOBALLISTOFACTIONS_PYTHON \
176 GLOBALLISTOFACTIONS_LEVMAR
177#endif
178
179#define GLOBALLISTOFACTIONS GLOBALLISTOFACTIONS_PYTHON
180
181// define python list
182// skips CommandLoadSession as this causes dangerous infinite loops
183#define GLOBALLISTOFPYTHONACTIONS \
184 GLOBALLISTOFACTIONS_LEVMAR
[48d20d]185
[83e90c]186#endif /* GLOBALLISTOFACTIONS_HPP_ */
187
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