#
# ChangeLog for tests/regression/Selection
#
# Generated by Trac 1.4.4
# Dec 28, 2024, 11:15:33 PM

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, 11 Feb 2011 20:55:44 GMT Frederik Heber <heber@…> [170ba6]
	* configure.ac (modified)
	* src/Descriptors/MoleculeOrderDescriptor.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms.at (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/post/twowater.xyz (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/post/water_id0.xyz (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/post/water_id1.xyz (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/pre/twowater.xyz (added)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-molecule-by-order.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecules.at (added)
	* tests/regression/Selection/testsuite-selection.at (modified)

	BUGFIX: MoleculeOrderDescription was not working in reverse because ...


Thu, 10 Feb 2011 19:09:31 GMT Frederik Heber <heber@…> [23d7ff]
	* src/Actions/Action.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (modified)

	Added default rotation angles to (Not)AllAtomsInsideCuboidAction.

	- ...


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 ...


Thu, 03 Feb 2011 09:59:58 GMT Frederik Heber <heber@…> [5817ef]
	* tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at (modified)

	FIX: regression test Selections/Atoms/6 did not use /bin/cp.

	- if ...


Thu, 16 Dec 2010 17:32:23 GMT Frederik Heber <heber@…> [c77ac8]
	* tests/regression/CheckCommand.sh (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/Molecules/1/post/box.xyz (added)
	* tests/regression/Selection/Molecules/1/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/1/pre/box.xyz (added)
	* tests/regression/Selection/Molecules/2/post/box.xyz (added)
	* tests/regression/Selection/Molecules/2/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/2/pre/box.xyz (added)
	* tests/regression/Selection/Molecules/3/post/benzene.xyz (added)
	* tests/regression/Selection/Molecules/3/post/benzene_missing.xyz (added)
	* tests/regression/Selection/Molecules/3/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/3/post/ethanol.xyz (added)
	* tests/regression/Selection/Molecules/3/post/ethanol_missing.xyz (added)
	* tests/regression/Selection/Molecules/3/post/mix.xyz (added)
	* tests/regression/Selection/Molecules/3/post/water.xyz (added)
	* tests/regression/Selection/Molecules/3/post/water_missing.xyz (added)
	* tests/regression/Selection/Molecules/3/pre/mix.xyz (added)
	* tests/regression/Selection/Molecules/4/post/box.xyz (added)
	* tests/regression/Selection/Molecules/4/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/4/post/id5_missing.xyz (added)
	* tests/regression/Selection/Molecules/4/post/water_id5.xyz (added)
	* tests/regression/Selection/Molecules/4/pre/box.xyz (added)
	* tests/regression/Selection/Molecules/5/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/5/post/water.xyz (added)
	* tests/regression/Selection/Molecules/5/pre/test.xyz (added)
	* tests/regression/Selection/Molecules/6/post/box.xyz (added)
	* tests/regression/Selection/Molecules/6/post/empty.xyz (added)
	* tests/regression/Selection/Molecules/6/post/water.xyz (added)
	* tests/regression/Selection/Molecules/6/post/water_missing.xyz (added)
	* tests/regression/Selection/Molecules/6/pre/box.xyz (added)
	* tests/regression/Selection/Molecules/testsuite-selection-all-molecules.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-clear-molecules.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecule-by-id.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecules-by-formula.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecules-by-name.at (added)
	* tests/regression/Selection/Molecules/testsuite-selection-molecules-of-atoms.at (added)
	* tests/regression/Selection/testsuite-selection.at (modified)

	Added regression test for each SelectionAction on molecules.

	- new ...


Thu, 16 Dec 2010 17:32:23 GMT Frederik Heber <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 <heber@…> [512f85]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/1/post/allatoms.xyz (deleted)
	* tests/regression/Selection/Atoms/1/post/allatoms.xyz (added)
	* tests/regression/Selection/Atoms/1/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/1/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz (added)
	* tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz (added)
	* tests/regression/Selection/Atoms/2/post/box.xyz (added)
	* tests/regression/Selection/Atoms/2/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/2/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/3/post/inversesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/sphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/test.xyz (added)
	* tests/regression/Selection/Atoms/3/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/4/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/4/post/molecule0.xyz (added)
	* tests/regression/Selection/Atoms/4/post/molecule1.xyz (added)
	* tests/regression/Selection/Atoms/4/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test-H_missing.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test.xyz (added)
	* tests/regression/Selection/Atoms/5/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/6/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id0_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id1_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id1_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id2_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id2_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id3_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id3_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id4_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id4_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id5_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id5_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id6_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id6_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id7_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id7_present.xyz (added)
	* tests/regression/Selection/Atoms/6/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/7/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/7/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at (added)
	* tests/regression/Selection/testsuite-selection.at (added)
	* tests/regression/testsuite-selection.at (deleted)
	* tests/regression/testsuite.at (modified)

	Added regression test for each SelectionAction on atoms.

	- Moved ...


Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [17c1a8]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/1/post/allatoms.xyz (added)
	* tests/regression/Selection/1/pre/box.xyz (added)
	* tests/regression/testsuite-selection.at (added)
	* tests/regression/testsuite.at (modified)

	Added regression test for SelectionAction to testsuite.

	- so far ...