#
# ChangeLog for src/Parameters/Specifics
#
# Generated by Trac 1.4.4
# Mar 21, 2025, 3:44:01 PM

Sun, 11 Oct 2015 07:11:38 GMT Frederik Heber <heber@…> [2f429e]
	* src/Parameters/Specifics/Value_element.cpp (modified)
	* src/Parameters/Specifics/Value_elements.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified)

	Elements are now parsed as string (and tried for being int).

	- this ...


Tue, 28 Jul 2015 14:03:59 GMT Frederik Heber <heber@…> [80f678]
	* src/Parameters/Makefile.am (modified)
	* src/Parameters/Specifics/Value_elements.cpp (added)
	* src/Parameters/Specifics/Value_elements.hpp (added)

	FIX: Added Parameters Value_Elements to correctly set vector of ...


Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber <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.


Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber <heber@…> [f01769]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/FillAction/FillRegularGridAction.cpp (modified)
	* src/Actions/FillAction/FillSurfaceAction.cpp (modified)
	* src/Actions/FillAction/SuspendInMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/RemoveAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.def (modified)
	* src/Analysis/analysis_bonds.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Atom/AtomSet.hpp (modified)
	* src/Atom/atom_bondedparticle.cpp (modified)
	* src/Atom/atom_bondedparticle.hpp (modified)
	* src/AtomIdSet.cpp (modified)
	* src/AtomIdSet.hpp (modified)
	* src/Bond/BondInfo.cpp (modified)
	* src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified)
	* src/Filling/unittests/ClusterUnitTest.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Graph.cpp (modified)
	* src/Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp (modified)
	* src/Graph/AdjacencyList.cpp (modified)
	* src/Graph/BuildInducedSubgraph.cpp (modified)
	* src/Graph/BuildInducedSubgraph.hpp (modified)
	* src/Parameters/Specifics/Value_molecule.cpp (modified)
	* src/Parameters/StreamOperators.hpp (modified)
	* src/Parameters/Validators/Specific/AtomIdValidator.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified)
	* src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified)
	* src/UIElements/TextUI/Query/AtomTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/MoleculeTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/MoleculesTextQuery.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified)
	* src/UIElements/Views/Qt4/QtFragmentList.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AtomIdSetUnitTest.cpp (modified)

	Replaced World::getAtom() wherever possible by const version.

	- ...


Fri, 24 Jul 2015 16:44:34 GMT Frederik Heber <heber@…> [1259df]
	* src/Actions/FillAction/FillVolumeAction.cpp (modified)
	* src/Actions/FillAction/SuspendInMoleculeAction.cpp (modified)
	* src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified)
	* src/Actions/GraphAction/UpdateMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.def (modified)
	* src/Descriptors/unittests/MoleculeDescriptorUnitTest.cpp (modified)
	* src/Parameters/Specifics/Value_molecule.cpp (modified)
	* src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified)
	* src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp (modified)
	* src/UIElements/Views/Qt4/MoleculeList/QtMoleculeListView.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified)

	Replaced World::getAllMolecules() wherever possible by const version.


Thu, 11 Jun 2015 23:21:41 GMT Frederik Heber <heber@…> [33e801]
	* src/Actions/Values.cpp (modified)
	* src/Actions/Values.hpp (modified)
	* src/Actions/toCLIString.cpp (modified)
	* src/Actions/toCLIString.hpp (modified)
	* src/Actions/toPythonString.cpp (modified)
	* src/Actions/toPythonString.hpp (modified)
	* src/Actions/unittests/stubs/DummyUI.hpp (modified)
	* src/Parameters/Makefile.am (modified)
	* src/Parameters/Specifics/KeyValuePair.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser_validate.hpp (modified)
	* src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified)
	* src/UIElements/CommandLineUI/Query/KeyValuePairCommandLineQuery.cpp (added)
	* src/UIElements/CommandLineUI/Query/KeyValuePairsCommandLineQuery.cpp (added)
	* src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/Qt4/QtDialog.cpp (modified)
	* src/UIElements/Qt4/QtDialog.hpp (modified)
	* src/UIElements/Qt4/Query/KeyValuePairQtQuery.cpp (added)
	* src/UIElements/Qt4/Query/KeyValuePairsQtQuery.cpp (added)
	* src/UIElements/Qt4/Query/QtQuery.hpp (modified)
	* src/UIElements/Qt4/Query/QtQueryList.hpp (modified)
	* src/UIElements/TextUI/Query/KeyValuePairTextQuery.cpp (added)
	* src/UIElements/TextUI/Query/KeyValuePairsTextQuery.cpp (added)
	* src/UIElements/TextUI/Query/TextQuery.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)

	Added ParameterPair (i.e. "key = value;") to allow other string ...


Thu, 11 Sep 2014 07:20:26 GMT Frederik Heber <heber@…> [f8bccc]
	* src/Parameters/Makefile.am (modified)
	* src/Parameters/Specifics/Value_atom.cpp (added)
	* src/Parameters/Specifics/Value_atom.hpp (added)
	* src/Parameters/Specifics/Value_element.cpp (added)
	* src/Parameters/Specifics/Value_element.hpp (added)
	* src/Parameters/Specifics/Value_molecule.cpp (added)
	* src/Parameters/Specifics/Value_molecule.hpp (added)
	* src/Parameters/Specifics/Value_string.cpp (moved)
	* src/Parameters/Specifics/Value_string.hpp (moved)
	* src/Parameters/Value.hpp (modified)
	* src/UIElements/Qt4/Query/FileQtQuery.cpp (modified)

	FIX: QtQueryList now works with pointers, FileQtQuery gives name of ...