# # ChangeLog for src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def # # Generated by Trac 1.4.4 # Mar 21, 2025, 6:38:57 PM Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber [a58c16] * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/GraphAction/CorrectBondDegreeAction.cpp (modified) * src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified) * src/Actions/GraphAction/DestroyAdjacencyAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) * src/Actions/unittests/ActionSequenceUnitTest.cpp (modified) * src/Analysis/analysis_correlation.cpp (modified) * src/Analysis/analysis_correlation.hpp (modified) * src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/Atom/unittests/CopyAtomsInterfaceUnitTest.cpp (modified) * src/Descriptors/AtomNameDescriptor.cpp (added) * src/Descriptors/AtomNameDescriptor.hpp (added) * src/Descriptors/AtomNameDescriptor_impl.hpp (added) * src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) * src/Filling/unittests/ClusterUnitTest.cpp (modified) * src/Filling/unittests/FillerUnitTest.cpp (modified) * src/Fragmentation/Automation/VMGFragmentController.cpp (modified) * src/Graph/DepthFirstSearchAnalysis.cpp (modified) * src/Makefile.am (modified) * src/Parameters/Specifics/Value_atom.cpp (modified) * src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified) * src/Parser/MpqcParser.cpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/XmlParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/Parser/unittests/ParserPsi3UnitTest.cpp (modified) * src/Parser/unittests/ParserXyzUnitTest.cpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Views/Qt4/QtElementList.cpp (modified) Replaced World::getAllAtoms() by const version where possible. Wed, 13 Jun 2012 17:39:24 GMT Frederik Heber [6ba9ba] * src/Actions/Action.hpp (modified) * src/Actions/Action_impl_header.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/Action_impl_python.hpp (modified) * src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (modified) * src/Actions/AnalysisAction/CalculateCellVolumeAction.def (modified) * src/Actions/AnalysisAction/CalculateMolarMassAction.def (modified) * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def (modified) * src/Actions/AnalysisAction/DipoleCorrelationAction.def (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/SaveSelectedAtomsAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FillAction/FillRegularGridAction.def (modified) * src/Actions/FillAction/FillSphericalSurfaceAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/GraphAction/CreateAdjacencyAction.def (modified) * src/Actions/GraphAction/DepthFirstSearchAction.def (modified) * src/Actions/GraphAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/LoadAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveSelectedMoleculesAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/ParseTremoloPotentialsAction.def (modified) * src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def (modified) * src/Actions/ParserAction/SetOutputFormatsAction.def (modified) * src/Actions/ParserAction/SetParserParametersAction.def (modified) * src/Actions/ParserAction/SetTremoloAtomdataAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (modified) * src/Actions/RedoAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.def (modified) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/InvertAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/InvertMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/UndoAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetBoundaryConditionsAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetWorldTimeAction.def (modified) * src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified) Default values are properly set by the Action into their ... Wed, 13 Jun 2012 17:39:13 GMT Frederik Heber [23958d] * src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (modified) * src/Actions/AnalysisAction/CalculateCellVolumeAction.def (modified) * src/Actions/AnalysisAction/CalculateMolarMassAction.def (modified) * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def (modified) * src/Actions/AnalysisAction/DipoleCorrelationAction.def (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/SaveSelectedAtomsAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FillAction/FillRegularGridAction.def (modified) * src/Actions/FillAction/FillSphericalSurfaceAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/GraphAction/CreateAdjacencyAction.def (modified) * src/Actions/GraphAction/DepthFirstSearchAction.def (modified) * src/Actions/GraphAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/LoadAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveSelectedMoleculesAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/ParseTremoloPotentialsAction.def (modified) * src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def (modified) * src/Actions/ParserAction/SetOutputFormatsAction.def (modified) * src/Actions/ParserAction/SetParserParametersAction.def (modified) * src/Actions/ParserAction/SetTremoloAtomdataAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.def (modified) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/InvertAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/InvertMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetBoundaryConditionsAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetWorldTimeAction.def (modified) * src/Parameters/Makefile.am (modified) * src/Parameters/Validators/GenericValidators.hpp (added) * src/Parameters/Validators/Specific/ActionNameValidator.hpp (added) * src/Parameters/Validators/Specific/AtomDataValidator.hpp (added) * src/Parameters/Validators/Specific/AtomIdValidator.hpp (added) * src/Parameters/Validators/Specific/BoxConditionValidator.hpp (added) * src/Parameters/Validators/Specific/BoxLengthValidator.hpp (modified) * src/Parameters/Validators/Specific/BoxVectorValidator.hpp (added) * src/Parameters/Validators/Specific/FilePresentValidator.hpp (modified) * src/Parameters/Validators/Specific/FileSuffixValidator.hpp (added) * src/Parameters/Validators/Specific/FormulaValidator.hpp (added) * src/Parameters/Validators/Specific/KeyValueValidator.hpp (added) * src/Parameters/Validators/Specific/MoleculeIdValidator.hpp (added) * src/Parameters/Validators/Specific/ParserFileValidator.hpp (added) * src/Parameters/Validators/Specific/ParserTypeValidator.hpp (added) * src/Parameters/Validators/Specific/RandomNumberValidators.hpp (added) * src/Parameters/Validators/Specific/RealSpaceMatrixInvertibleValidator.hpp (added) * src/Parameters/Validators/Specific/RealSpaceMatrixSymmetricValidator.hpp (added) * src/Parameters/Validators/Specific/RotationAngleValidator.hpp (added) * src/Parameters/Validators/Specific/TimeStepPresentValidator.hpp (added) * src/Parameters/Validators/Specific/VectorPositiveComponentsValidator.hpp (added) * src/Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp (added) * src/Parameters/Validators/UniqueValidator.hpp (added) * tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (modified) * tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (modified) * tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (modified) HUGE: All .def files now contain a useful paramvalids line. - many ... Wed, 13 Jun 2012 17:39:12 GMT Frederik Heber [649aaa] * src/Actions/Action_impl_header.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/Action_impl_undef.hpp (modified) * src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (modified) * src/Actions/AnalysisAction/CalculateCellVolumeAction.def (modified) * src/Actions/AnalysisAction/CalculateMolarMassAction.def (modified) * src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def (modified) * src/Actions/AnalysisAction/DipoleCorrelationAction.def (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/SaveSelectedAtomsAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FillAction/FillRegularGridAction.def (modified) * src/Actions/FillAction/FillSphericalSurfaceAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/GraphAction/CreateAdjacencyAction.def (modified) * src/Actions/GraphAction/DepthFirstSearchAction.def (modified) * src/Actions/GraphAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/LoadAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveSelectedMoleculesAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/ParseTremoloPotentialsAction.def (modified) * src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def (modified) * src/Actions/ParserAction/SetOutputFormatsAction.def (modified) * src/Actions/ParserAction/SetParserParametersAction.def (modified) * src/Actions/ParserAction/SetTremoloAtomdataAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (modified) * src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (modified) * src/Actions/RedoAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/AtomByOrderAction.def (modified) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/InvertAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/InvertMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/UndoAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetBoundaryConditionsAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetWorldTimeAction.def (modified) * src/Actions/test.sh (added) All Actions' .def files now have a paramvalids that is used to for ... Thu, 16 Dec 2010 17:32:23 GMT Frederik Heber [c42e60] * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified) * src/Descriptors/AtomOfMoleculeSelectionDescriptor.cpp (added) * src/Descriptors/AtomOfMoleculeSelectionDescriptor.hpp (added) * src/Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp (added) * src/Descriptors/MoleculeOfAtomSelectionDescriptor.cpp (added) * src/Descriptors/MoleculeOfAtomSelectionDescriptor.hpp (added) * src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp (added) * src/Makefile.am (modified) * tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at (modified) * tests/regression/testsuite-molecules.at (modified) Two new descriptors: AtomOfMoleculeSelection, ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [125002] * src/Actions/Makefile.am (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.def (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.hpp (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp (moved) Splitted SelectionAction modules into two groups - atoms, molecules - ...