#
# ChangeLog for tests/Tesselations/heptan
#
# Generated by Trac 1.4.4
# Dec 30, 2024, 10:02:42 PM

Wed, 05 Oct 2011 09:16:10 GMT Frederik Heber <heber@…> [7db9bd]
	* tests/Fragmentations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order1.at (modified)
	* tests/Fragmentations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order2.at (modified)
	* tests/Fragmentations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order3.at (modified)
	* tests/Fragmentations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order4.at (modified)
	* tests/Fragmentations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order1.at (modified)
	* tests/Fragmentations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order2.at (modified)
	* tests/Fragmentations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order3.at (modified)
	* tests/Fragmentations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order4.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order1.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order2.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order3.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order4.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order5.at (modified)
	* tests/Fragmentations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order6.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order1.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order2.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order3.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order4.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order5.at (modified)
	* tests/Fragmentations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order6.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order1.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order2.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order3.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order4.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order5.at (modified)
	* tests/Fragmentations/benzene/testsuite-benzene-order6.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order1.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order2.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order3.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order4.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order5.at (modified)
	* tests/Fragmentations/cholesterol/testsuite-cholesterol-order6.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order1.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order2.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order3.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order4.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order5.at (modified)
	* tests/Fragmentations/cycloheptane/testsuite-cycloheptane-order6.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order1.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order2.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order3.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order4.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order5.at (modified)
	* tests/Fragmentations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order6.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order1.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order2.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order3.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order4.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order5.at (modified)
	* tests/Fragmentations/glucose/testsuite-glucose-order6.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order1.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order2.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order3.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order4.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order5.at (modified)
	* tests/Fragmentations/heptan/testsuite-heptan-order6.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order1.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order2.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order3.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order4.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order5.at (modified)
	* tests/Fragmentations/isoleucine/testsuite-isoleucine-order6.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order1.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order2.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order3.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order4.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order5.at (modified)
	* tests/Fragmentations/neohexane/testsuite-neohexane-order6.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order1.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order2.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order3.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order4.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order5.at (modified)
	* tests/Fragmentations/proline/testsuite-proline-order6.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order1.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order2.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order3.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order4.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order5.at (modified)
	* tests/Fragmentations/putrescine/testsuite-putrescine-order6.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order1.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order2.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order3.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order4.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order5.at (modified)
	* tests/Fragmentations/tartaric_acid/testsuite-tartaric_acid-order6.at (modified)
	* tests/Tesselations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane.at (modified)
	* tests/Tesselations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene.at (modified)
	* tests/Tesselations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone.at (modified)
	* tests/Tesselations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide.at (modified)
	* tests/Tesselations/benzene/testsuite-benzene.at (modified)
	* tests/Tesselations/cholesterol/testsuite-cholesterol.at (modified)
	* tests/Tesselations/cycloheptane/testsuite-cycloheptane.at (modified)
	* tests/Tesselations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate.at (modified)
	* tests/Tesselations/glucose/testsuite-glucose.at (modified)
	* tests/Tesselations/heptan/testsuite-heptan.at (modified)
	* tests/Tesselations/isoleucine/testsuite-isoleucine.at (modified)
	* tests/Tesselations/neohexane/testsuite-neohexane.at (modified)
	* tests/Tesselations/proline/testsuite-proline.at (modified)
	* tests/Tesselations/putrescine/testsuite-putrescine.at (modified)
	* tests/Tesselations/tartaric_acid/testsuite-tartaric_acid.at (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (modified)
	* tests/regression/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (modified)
	* tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (modified)
	* tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (modified)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (modified)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified)
	* tests/regression/Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at (modified)
	* tests/regression/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at (modified)
	* tests/regression/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at (modified)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (modified)
	* tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (modified)
	* tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at (modified)
	* tests/regression/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (modified)
	* tests/regression/Domain/ChangeBox/testsuite-domain-change-box.at (modified)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)
	* tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-tenside-molecule.at (modified)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (modified)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)
	* tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (modified)
	* tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at (modified)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (modified)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (modified)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (modified)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (modified)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (modified)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (modified)
	* tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (modified)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (modified)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (modified)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified)
	* tests/regression/Options/InvalidCommands/testsuite-options-invalid-commands.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-empty.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-empty.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-empty.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-empty.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.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/MoleculeById/testsuite-selection-select-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.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)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (modified)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified)
	* tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (modified)
	* tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (modified)
	* tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (modified)
	* tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (modified)

	DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. ...


Wed, 05 Oct 2011 08:18:03 GMT Frederik Heber <heber@…> [a85f45]
	* configure.ac (modified)
	* tests/Tesselations/1_2-dimethoxyethane.test (deleted)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-1.5.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-2.5.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-2.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-25.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-3.5.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-3.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/post/NonConvexEnvelope-1_2-dimethoxyethane-4.dat (moved)
	* tests/Tesselations/1_2-dimethoxyethane/pre/1_2-dimethoxyethane.xyz (moved)
	* tests/Tesselations/1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane.at (added)
	* tests/Tesselations/1_2-dimethylbenzene.test (deleted)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-1.5.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-2.5.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-2.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-25.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-3.5.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-3.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/post/NonConvexEnvelope-1_2-dimethylbenzene-4.dat (moved)
	* tests/Tesselations/1_2-dimethylbenzene/pre/1_2-dimethylbenzene.xyz (moved)
	* tests/Tesselations/1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene.at (added)
	* tests/Tesselations/2-methylcyclohexanone.test (deleted)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-1.5.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-2.5.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-2.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-25.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-3.5.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-3.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/post/NonConvexEnvelope-2-methylcyclohexanone-4.dat (moved)
	* tests/Tesselations/2-methylcyclohexanone/pre/2-methylcyclohexanone.xyz (moved)
	* tests/Tesselations/2-methylcyclohexanone/testsuite-2-methylcyclohexanone.at (added)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide.test (deleted)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-1.5.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.5.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-25.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.5.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-4.dat (moved)
	* tests/Tesselations/N_N-dimethylacetamide/pre/N_N-dimethylacetamide.xyz (moved)
	* tests/Tesselations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide.at (added)
	* tests/Tesselations/atlocal.in (added)
	* tests/Tesselations/benzene.test (deleted)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-1.5.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-2.5.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-2.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-25.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-3.5.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-3.dat (moved)
	* tests/Tesselations/benzene/post/NonConvexEnvelope-benzene-4.dat (moved)
	* tests/Tesselations/benzene/pre/benzene.xyz (moved)
	* tests/Tesselations/benzene/testsuite-benzene.at (added)
	* tests/Tesselations/cholesterol.test (deleted)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-1.5.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-2.5.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-2.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-25.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-3.5.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-3.dat (moved)
	* tests/Tesselations/cholesterol/post/NonConvexEnvelope-cholesterol-4.dat (moved)
	* tests/Tesselations/cholesterol/pre/cholesterol.xyz (moved)
	* tests/Tesselations/cholesterol/testsuite-cholesterol.at (added)
	* tests/Tesselations/cycloheptane.test (deleted)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-1.5.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-2.5.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-2.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-25.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-3.5.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-3.dat (moved)
	* tests/Tesselations/cycloheptane/post/NonConvexEnvelope-cycloheptane-4.dat (moved)
	* tests/Tesselations/cycloheptane/pre/cycloheptane.xyz (moved)
	* tests/Tesselations/cycloheptane/testsuite-cycloheptane.at (added)
	* tests/Tesselations/defs.in (deleted)
	* tests/Tesselations/dimethyl_bromomalonate.test (deleted)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-1.5.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-2.5.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-2.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-25.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-3.5.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-3.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/post/NonConvexEnvelope-dimethyl_bromomalonate-4.dat (moved)
	* tests/Tesselations/dimethyl_bromomalonate/pre/dimethyl_bromomalonate.xyz (moved)
	* tests/Tesselations/dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate.at (added)
	* tests/Tesselations/glucose.test (deleted)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-1.5.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-2.5.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-2.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-25.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-3.5.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-3.dat (moved)
	* tests/Tesselations/glucose/post/NonConvexEnvelope-glucose-4.dat (moved)
	* tests/Tesselations/glucose/pre/glucose.xyz (moved)
	* tests/Tesselations/glucose/testsuite-glucose.at (added)
	* tests/Tesselations/heptan.test (deleted)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-1.5.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.5.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-25.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.5.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.dat (moved)
	* tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-4.dat (moved)
	* tests/Tesselations/heptan/pre/heptan.xyz (moved)
	* tests/Tesselations/heptan/testsuite-heptan.at (added)
	* tests/Tesselations/isoleucine.test (deleted)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-1.5.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-2.5.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-2.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-25.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-3.5.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-3.dat (moved)
	* tests/Tesselations/isoleucine/post/NonConvexEnvelope-isoleucine-4.dat (moved)
	* tests/Tesselations/isoleucine/pre/isoleucine.xyz (moved)
	* tests/Tesselations/isoleucine/testsuite-isoleucine.at (added)
	* tests/Tesselations/molecuilder.in (added)
	* tests/Tesselations/neohexane.test (deleted)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-1.5.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-2.5.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-2.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-25.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-3.5.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-3.dat (moved)
	* tests/Tesselations/neohexane/post/NonConvexEnvelope-neohexane-4.dat (moved)
	* tests/Tesselations/neohexane/pre/neohexane.xyz (moved)
	* tests/Tesselations/neohexane/testsuite-neohexane.at (added)
	* tests/Tesselations/proline.test (deleted)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-1.5.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-2.5.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-2.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-25.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-3.5.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-3.dat (moved)
	* tests/Tesselations/proline/post/NonConvexEnvelope-proline-4.dat (moved)
	* tests/Tesselations/proline/pre/proline.xyz (moved)
	* tests/Tesselations/proline/testsuite-proline.at (added)
	* tests/Tesselations/putrescine.test (deleted)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-1.5.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-2.5.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-2.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-25.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-3.5.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-3.dat (moved)
	* tests/Tesselations/putrescine/post/NonConvexEnvelope-putrescine-4.dat (moved)
	* tests/Tesselations/putrescine/pre/putrescine.xyz (moved)
	* tests/Tesselations/putrescine/testsuite-putrescine.at (added)
	* tests/Tesselations/tartaric_acid.test (deleted)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-1.5.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-2.5.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-2.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-25.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-3.5.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-3.dat (moved)
	* tests/Tesselations/tartaric_acid/post/NonConvexEnvelope-tartaric_acid-4.dat (moved)
	* tests/Tesselations/tartaric_acid/pre/tartaric_acid.xyz (moved)
	* tests/Tesselations/tartaric_acid/testsuite-tartaric_acid.at (added)
	* tests/Tesselations/testsuite.at (added)

	Rewrote tests/Tesselations with autotest test driver.

	- this made ...


Sun, 25 Jul 2010 22:01:08 GMT Frederik Heber <heber@…> [a8a010]
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)

	TESTFIX: tests/Tesselations needed --select-molecule-by-id and ...


Tue, 20 Jul 2010 13:01:11 GMT Frederik Heber <heber@…> [be97a8]
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Box.cpp (added)
	* src/Box.hpp (added)
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.cpp (added)
	* src/Descriptors/AtomSelectionDescriptor.hpp (added)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (added)
	* src/Exceptions/CustomException.cpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Exceptions/NotInvertibleException.cpp (added)
	* src/Exceptions/NotInvertibleException.hpp (added)
	* src/Helpers/Assert.hpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Line.cpp (modified)
	* src/Line.hpp (modified)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (added)
	* src/Matrix.hpp (added)
	* src/MatrixContent.hpp (added)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedContainer.hpp (added)
	* src/Patterns/ObservedContainer_impl.hpp (added)
	* src/Patterns/ObservedIterator.hpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.hpp (modified)
	* src/Shapes/BaseShapes.cpp (added)
	* src/Shapes/BaseShapes.hpp (added)
	* src/Shapes/BaseShapes_impl.hpp (added)
	* src/Shapes/Shape.cpp (added)
	* src/Shapes/Shape.hpp (added)
	* src/Shapes/ShapeOps.cpp (added)
	* src/Shapes/ShapeOps.hpp (added)
	* src/Shapes/ShapeOps_impl.hpp (added)
	* src/Shapes/Shape_impl.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/QT4/QTDialog.cpp (modified)
	* src/UIElements/QT4/QTDialog.hpp (modified)
	* src/UIElements/QT4/QTMainWindow.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/VectorContent.hpp (added)
	* src/VectorSet.cpp (deleted)
	* src/VectorSet.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/atom_trajectoryparticle.hpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/memoryallocator.cpp (deleted)
	* src/memoryallocator.hpp (deleted)
	* src/memoryusageobserver.cpp (deleted)
	* src/memoryusageobserver.hpp (deleted)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/LineUnittest.cpp (modified)
	* src/unittests/LineUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MatrixUnittest.cpp (added)
	* src/unittests/MatrixUnittest.hpp (added)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/ShapeUnittest.cpp (added)
	* src/unittests/ShapeUnittest.hpp (added)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/unittests/vectorunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)
	* test_all.sh (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Merge branch 'StructureRefactoring' into stable

	Conflicts:
	        ...


Mon, 28 Jun 2010 15:38:05 GMT Frederik Heber <heber@…> [bdb143]
	* src/Legacy/oldmenu.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/TestRunnerMain.cpp (modified)
	* src/unittests/UnitTestMain.cpp (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/2.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/2/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/25/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/3.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/3/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/heptan/4/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)

	Merge branch 'StructureRefactoring' into stable

	Conflicts:
	        ...


Sat, 08 May 2010 11:33:50 GMT Frederik Heber <heber@…> [bdedb1]
	* tests/Tesselations/1_2-dimethoxyethane.test (modified)
	* tests/Tesselations/1_2-dimethoxyethane/1.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/2.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/2/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/25/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/3.5/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/3/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/4/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (deleted)
	* tests/Tesselations/1_2-dimethylbenzene.test (modified)
	* tests/Tesselations/1_2-dimethylbenzene/1.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/2.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/2/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/25/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/3.5/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/3/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/4/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (deleted)
	* tests/Tesselations/2-methylcyclohexanone.test (modified)
	* tests/Tesselations/2-methylcyclohexanone/1.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/2.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/2/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/25/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/3.5/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/3/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/4/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (deleted)
	* tests/Tesselations/C16_0-Torus.test (deleted)
	* tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (deleted)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (deleted)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide.test (modified)
	* tests/Tesselations/N_N-dimethylacetamide/1.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/2.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/2/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/25/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/3.5/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/3/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/N_N-dimethylacetamide/4/NonConvexEnvelope-N_N-dimethylacetamide.dat (moved)
	* tests/Tesselations/benzene.test (modified)
	* tests/Tesselations/benzene/1.5/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/2.5/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/2/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/25/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/3.5/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/3/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/4/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (deleted)
	* tests/Tesselations/cholesterol.test (modified)
	* tests/Tesselations/cholesterol/1.5/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/2.5/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/2/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/25/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/3.5/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/3/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/4/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (deleted)
	* tests/Tesselations/cluster.test (deleted)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (deleted)
	* tests/Tesselations/cluster/cluster.dbond (deleted)
	* tests/Tesselations/cluster/cluster.xyz (deleted)
	* tests/Tesselations/cycloheptane.test (modified)
	* tests/Tesselations/cycloheptane/1.5/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/2.5/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/2/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/25/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/3.5/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/3/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/4/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (deleted)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/dimethyl_bromomalonate.test (modified)
	* tests/Tesselations/dimethyl_bromomalonate/1.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/2.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/2/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/25/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/3.5/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/3/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/4/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (deleted)
	* tests/Tesselations/glucose.test (modified)
	* tests/Tesselations/glucose/1.5/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/2.5/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/2/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/25/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/3.5/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/3/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/4/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (deleted)
	* tests/Tesselations/heptan.test (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/2.5/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/2/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/25/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/3.5/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/3/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/4/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (deleted)
	* tests/Tesselations/isoleucine.test (modified)
	* tests/Tesselations/isoleucine/1.5/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/2.5/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/2/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/25/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/3.5/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/3/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/4/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (deleted)
	* tests/Tesselations/neohexane.test (modified)
	* tests/Tesselations/neohexane/1.5/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/2.5/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/2/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/25/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/3.5/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/3/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/4/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (deleted)
	* tests/Tesselations/proline.test (modified)
	* tests/Tesselations/proline/1.5/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/2.5/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/2/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/25/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/3.5/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/3/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/4/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (deleted)
	* tests/Tesselations/putrescine.test (modified)
	* tests/Tesselations/putrescine/1.5/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/2.5/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/2/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/25/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/3.5/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/3/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/4/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (deleted)
	* tests/Tesselations/round_cluster.test (deleted)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (deleted)
	* tests/Tesselations/round_cluster/round_cluster.dbond (deleted)
	* tests/Tesselations/round_cluster/round_cluster.xyz (deleted)
	* tests/Tesselations/tartaric_acid.test (modified)
	* tests/Tesselations/tartaric_acid/1.5/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/2.5/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/2/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/25/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/3.5/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/3/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/4/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (deleted)

	Change of the Tesselation testsuite.

	- tests C16_0Torus, cluster, ...


Tue, 24 Nov 2009 15:34:49 GMT Frederik Heber <heber@…> [6a7f78c]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified)

	Fixes and naming of final Tecplot output file is now molecule name.
 ...


Tue, 10 Nov 2009 20:57:58 GMT Frederik Heber <heber@…> [36eb4e]
	* configure.ac (modified)
	* tests/Makefile.am (modified)
	* tests/Tesselations/1_2-dimethoxyethane.test (added)
	* tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz (added)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene.test (added)
	* tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz (added)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (added)
	* tests/Tesselations/2-methylcyclohexanone.test (added)
	* tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz (added)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* tests/Tesselations/C16_0-Torus.test (added)
	* tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (added)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (added)
	* tests/Tesselations/Makefile.am (added)
	* tests/Tesselations/N_N-dimethylacetamide.test (added)
	* tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz (added)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* tests/Tesselations/cholesterol.test (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (added)
	* tests/Tesselations/cholesterol/cholesterol.xyz (added)
	* tests/Tesselations/cluster.test (added)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (added)
	* tests/Tesselations/cluster/cluster.dbond (added)
	* tests/Tesselations/cluster/cluster.xyz (added)
	* tests/Tesselations/cycloheptane.test (added)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (added)
	* tests/Tesselations/cycloheptane/cycloheptane.xyz (added)
	* tests/Tesselations/dimethyl_bromomalonate.test (added)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz (added)
	* tests/Tesselations/glucose.test (added)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (added)
	* tests/Tesselations/glucose/glucose.xyz (added)
	* tests/Tesselations/heptan.test (added)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (added)
	* tests/Tesselations/heptan/heptan.xyz (added)
	* tests/Tesselations/isoleucine.test (added)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (added)
	* tests/Tesselations/isoleucine/isoleucine.xyz (added)
	* tests/Tesselations/neohexane.test (added)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (added)
	* tests/Tesselations/neohexane/neohexane.xyz (added)
	* tests/Tesselations/proline.test (added)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (added)
	* tests/Tesselations/proline/proline.xyz (added)
	* tests/Tesselations/putrescine.test (added)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (added)
	* tests/Tesselations/putrescine/putrescine.xyz (added)
	* tests/Tesselations/round_cluster.test (added)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (added)
	* tests/Tesselations/round_cluster/round_cluster.dbond (added)
	* tests/Tesselations/round_cluster/round_cluster.xyz (added)
	* tests/Tesselations/tartaric_acid.test (added)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (added)
	* tests/Tesselations/tartaric_acid/tartaric_acid.xyz (added)

	Added Tesselation testsets as TESTS to molecuilder.

	- defs.in with ...