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# ChangeLog for tests/regression/Selection/Molecules/MoleculeByName
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# Generated by Trac 1.4.4
# Jan 16, 2025, 1:43:08 PM

Thu, 22 Sep 2011 12:50:41 GMT Frederik Heber <heber@…> [43a0ae]
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.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)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified)

	FIX: All Unselection actions now have keyword unselection instead of ...


Thu, 22 Sep 2011 12:47:19 GMT Frederik Heber <heber@…> [d70fff]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (added)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (added)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (added)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (moved)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (added)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (added)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (added)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-molecule-by-order.at (deleted)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (added)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecules.at (modified)

	Split off Unselections from selections in Selection/Molecules.

	- ...


Wed, 21 Sep 2011 20:40:59 GMT Frederik Heber <heber@…> [7c958e]
	* tests/regression/CheckCommand.sh (deleted)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-molecules-by-formula.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-molecule-by-order.at (modified)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at (modified)

	Removed CheckCommand.sh in Selection/Molecules.

	- multiple ...


Wed, 02 Mar 2011 21:53:08 GMT Frederik Heber <heber@…> [49c059]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (added)
	* src/Graph/DepthFirstSearchAnalysis.hpp (added)
	* src/Graph/Makefile.am (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/Fragmentations/defs.in (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/post/id4_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/water_id4.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at (modified)

	Moved DepthFirstSearchAnalysis into functor in Graph/.

	Smaller ...


Fri, 04 Feb 2011 19:11:51 GMT Frederik Heber <heber@…> [b9bfa6]
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Atoms/AllAtoms/post/allatoms.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test-H_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/post/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at (moved)
	* tests/regression/Selection/Atoms/AtomById/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id0_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id1_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id1_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id2_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id2_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id3_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id3_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id4_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id4_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id5_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id5_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id6_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id6_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id7_missing.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/post/id7_present.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/pre/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/allatomsinsidecuboid.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/empty.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/inversesphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/sphere.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/post/test.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/post/id0_missing.xyz (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (moved)
	* tests/regression/Selection/Molecules/AllMolecules/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/benzene.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/benzene_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/ethanol.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/ethanol_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/mix.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/post/water_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/pre/mix.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-molecules-by-formula.at (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/id5_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/post/water_id5.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/pre/test.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/empty.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/water.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/post/water_missing.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/pre/box.xyz (moved)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at (moved)
	* tests/regression/Selection/testsuite-selection.at (modified)

	Changed regression testsuite structure of Selection/Atoms and ...