Changeset fc3aff for src/Actions/GlobalListOfActions.hpp

Timestamp:

Aug 20, 2014, 1:10:07 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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, Candidate_v1.7.1, 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

Children:

4c9101

Parents:

ee4f2d (diff), 3a33e3 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructuralOptimization' into stable

File:

• src/Actions/GlobalListOfActions.hpp (modified) (3 diffs)

src/Actions/GlobalListOfActions.hpp

@@ -18 +18 @@
 
 // this is global list of actions valid for all cases
+// PLEASE adhere to the alphabetical ordering of the list of Actions
+// NOTE that Redo must remain at the front due to technical reasons
 #define GLOBALLISTOFACTIONS_initial \
   (Redo) \
-  (GraphUpdateMolecules) \
-  (GraphCorrectBondDegree) \
-  (GraphCreateAdjacency) \
-  (GraphDepthFirstSearch) \
-  (GraphDestroyAdjacency) \
-  (GraphSubgraphDissection) \
-  (MoleculeSaveTemperature) \
-  (MoleculeCopy) \
-  (MoleculeSuspendInWater) \
-  (MoleculeFillWithMolecule) \
-  (MoleculeRotateToPrincipalAxisSystem) \
-  (MoleculeSaveAdjacency) \
-  (MoleculeFillVoidWithMolecule) \
-  (MoleculeVerletIntegration) \
-  (MoleculeChangeName) \
-  (MoleculeChangeBondAngle) \
-  (MoleculeRotateAroundSelfByAngle) \
-  (MoleculeSaveSelectedMolecules) \
-  (MoleculeSaveBonds) \
-  (MoleculeStretchBond) \
-  (MoleculeLinearInterpolationofTrajectories) \
-  (MoleculeLoad) \
-  (MoleculeBondFile) \
-  (TesselationNonConvexEnvelope) \
-  (TesselationConvexEnvelope) \
+  (AnalysisDipoleAngularCorrelation) \
+  (AnalysisDipoleCorrelation) \
+  (AnalysisMolecularVolume) \
+  (AnalysisPairCorrelation) \
+  (AnalysisPointCorrelation) \
+  (AnalysisPrincipalAxisSystem) \
+  (AnalysisSurfaceCorrelation) \
+  (AtomAdd) \
+  (AtomChangeElement) \
+  (AtomRemove) \
+  (AtomRotateAroundOriginByAngle) \
+  (AtomSaveSelectedAtoms) \
+  (AtomTranslate) \
+  (BondAdd) \
+  (BondRemove) \
   (CommandElementDb) \
   (CommandBondLengthTable) \
@@ -56 +48 @@
   (CommandVersion) \
   (CommandWarranty) \
-  (ParserSetTremoloAtomdata) \
+  (FillRegularGrid) \
+  (FillSurface) \
+  (FragmentationAnalyseFragmentationResults) \
+  (FragmentationClearFragmentationResults) \
+  (FragmentationFragmentation) \
+  (FragmentationFragmentationAutomation) \
+  (FragmentationMolecularDynamics) \
+  (FragmentationParseFragmentJobs) \
+  (FragmentationStoreSaturatedFragment) \
+  (FragmentationStructuralOptimization) \
+  (GraphUpdateMolecules) \
+  (GraphCorrectBondDegree) \
+  (GraphCreateAdjacency) \
+  (GraphDepthFirstSearch) \
+  (GraphDestroyAdjacency) \
+  (GraphSubgraphDissection) \
+  (MoleculeBondFile) \
+  (MoleculeChangeName) \
+  (MoleculeChangeBondAngle) \
+  (MoleculeCopy) \
+  (MoleculeFillWithMolecule) \
+  (MoleculeFillVoidWithMolecule) \
+  (MoleculeForceAnnealing) \
+  (MoleculeLinearInterpolationofTrajectories) \
+  (MoleculeLoad) \
+  (MoleculeRotateAroundSelfByAngle) \
+  (MoleculeRotateToPrincipalAxisSystem) \
+  (MoleculeSaveAdjacency) \
+  (MoleculeSaveBonds) \
+  (MoleculeSaveSelectedMolecules) \
+  (MoleculeSaveTemperature) \
+  (MoleculeStretchBond) \
+  (MoleculeSuspendInWater) \
+  (MoleculeVerletIntegration) \
+  (PotentialFitParticleCharges) \
+  (PotentialParseHomologies) \
+  (PotentialSaveHomologies) \
   (ParserParseTremoloPotentials) \
   (ParserSaveSelectedAtomsAsExtTypes) \
   (ParserSetParserParameters) \
   (ParserSetOutputFormats) \
-  (AnalysisDipoleAngularCorrelation) \
-  (AnalysisDipoleCorrelation) \
-  (AnalysisPairCorrelation) \
-  (AnalysisPointCorrelation) \
-  (AnalysisSurfaceCorrelation) \
-  (AnalysisMolecularVolume) \
-  (AnalysisPrincipalAxisSystem) \
+  (ParserSetTremoloAtomdata) \
   (Undo) \
-  (AtomSaveSelectedAtoms) \
-  (AtomRotateAroundOriginByAngle) \
-  (AtomChangeElement) \
-  (AtomRemove) \
-  (AtomTranslate) \
-  (AtomAdd) \
-  (BondAdd) \
-  (BondRemove) \
-  (WorldCenterInBox) \
-  (WorldRepeatBox) \
-  (WorldChangeBox) \
-  (WorldCenterOnEdge) \
-  (WorldSetWorldTime) \
-  (WorldSetBoundaryConditions) \
-  (WorldOutput) \
-  (WorldOutputAs) \
-  (WorldSetDefaultName) \
-  (WorldScaleBox) \
-  (WorldAddEmptyBoundary) \
-  (WorldBoundInBox) \
-  (WorldInput) \
-  (SelectionNotMoleculeOfAtom) \
-  (SelectionNotAllMolecules) \
-  (SelectionNotMoleculeById) \
-  (SelectionMoleculeByOrder) \
-  (SelectionMoleculeOfAtom) \
-  (SelectionNotMoleculeByOrder) \
-  (SelectionMoleculeByName) \
-  (SelectionMoleculeById) \
-  (SelectionAllMolecules) \
-  (SelectionClearAllMolecules) \
-  (SelectionInvertMolecules) \
-  (SelectionMoleculeByFormula) \
-  (SelectionNotMoleculeByFormula) \
-  (SelectionNotMoleculeByName) \
-  (SelectionNotAtomById) \
-  (SelectionNotAtomByOrder) \
   (SelectionAllAtoms) \
-  (SelectionClearAllAtoms) \
-  (SelectionInvertAtoms) \
-  (SelectionNotAllAtoms) \
-  (SelectionNotAtomByElement) \
   (SelectionAllAtomsInsideVolume) \
   (SelectionAllAtomsOfMolecule) \
-  (SelectionNotAllAtomsInsideVolume) \
+  (SelectionAllMolecules) \
+  (SelectionAllShapes) \
   (SelectionAtomByElement) \
-  (SelectionNotAllAtomsOfMolecule) \
   (SelectionAtomById) \
   (SelectionAtomByOrder) \
-  (SelectionAllShapes) \
+  (SelectionClearAllAtoms) \
+  (SelectionClearAllMolecules) \
+  (SelectionInvertAtoms) \
+  (SelectionInvertMolecules) \
+  (SelectionMoleculeOfAtom) \
+  (SelectionMoleculeByFormula) \
+  (SelectionMoleculeById) \
+  (SelectionMoleculeByName) \
+  (SelectionMoleculeByOrder) \
+  (SelectionNotAllAtoms) \
+  (SelectionNotAllAtomsInsideVolume) \
+  (SelectionNotAllAtomsOfMolecule) \
+  (SelectionNotAllMolecules) \
+  (SelectionNotAllShapes) \
+  (SelectionNotAtomById) \
+  (SelectionNotAtomByElement) \
+  (SelectionNotAtomByOrder) \
+  (SelectionNotMoleculeOfAtom) \
+  (SelectionNotMoleculeByFormula) \
+  (SelectionNotMoleculeById) \
+  (SelectionNotMoleculeByName) \
+  (SelectionNotMoleculeByOrder) \
+  (SelectionNotShapeByName) \
   (SelectionShapeByName) \
-  (SelectionNotAllShapes) \
-  (SelectionNotShapeByName) \
-  (FragmentationAnalyseFragmentationResults) \
-  (FragmentationFragmentationAutomation) \
-  (FragmentationClearFragmentationResults) \
-  (FragmentationFragmentation) \
-  (FragmentationMolecularDynamics) \
-  (FragmentationParseFragmentJobs) \
-  (FragmentationStoreSaturatedFragment) \
-  (PotentialFitParticleCharges) \
-  (PotentialParseHomologies) \
-  (PotentialSaveHomologies) \
-  (FillRegularGrid) \
-  (FillSurface) \
   (ShapeCombineShapes) \
   (ShapeCreateShape) \
@@ -139 +128 @@
   (ShapeRotateShape) \
   (ShapeStretchShape) \
-  (ShapeTranslateShape)
+  (ShapeTranslateShape) \
+  (TesselationConvexEnvelope) \
+  (TesselationNonConvexEnvelope) \
+  (WorldAddEmptyBoundary) \
+  (WorldBoundInBox) \
+  (WorldCenterInBox) \
+  (WorldCenterOnEdge) \
+  (WorldChangeBox) \
+  (WorldInput) \
+  (WorldOutput) \
+  (WorldOutputAs) \
+  (WorldRepeatBox) \
+  (WorldScaleBox) \
+  (WorldSetBoundaryConditions) \
+  (WorldSetDefaultName) \
+  (WorldSetWorldTime)
 
 // extend list of actions in case levmar is available