# # ChangeLog for tests/regression/Tesselation # # Generated by Trac 1.4.4 # Jan 11, 2025, 5:32:12 PM Wed, 27 Apr 2011 08:59:00 GMT Frederik Heber [23b0c2] * tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.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/ChangeElement/testsuite-atoms-change-element.at (modified) * tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified) * tests/regression/Atoms/RemoveInsideCuboid/testsuite-atoms-remove-inside-cuboid.at (modified) * tests/regression/Atoms/RemoveInsideSphere/testsuite-atoms-remove-inside-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/RepeatBox/testsuite-domain-repeat-box.at (modified) * tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (modified) * tests/regression/Filling/FillVoidWithMolecule/post/empty.xyz (deleted) * tests/regression/Filling/FillVoidWithMolecule/post/propane.xyz (added) * tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (modified) * tests/regression/Filling/FillWithMolecule/post/empty.xyz (deleted) * tests/regression/Filling/FillWithMolecule/post/propane.xyz (added) * 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/Fragmentation/testsuite-fragmentation-2nd-order.at (deleted) * tests/regression/Fragmentation/testsuite-fragmentation-config-check.at (deleted) * tests/regression/Fragmentation/testsuite-fragmentation-maxorder.at (deleted) * 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-bond-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/testsuite-parser-mpqc.at (modified) * tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified) * tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified) * tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (modified) * tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified) * tests/regression/Selection/Atoms/AllAtoms/post/box.xyz (added) * tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at (modified) * tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz (added) * tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (modified) * tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at (modified) * tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (modified) * tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (modified) * tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at (modified) * tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.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) Restructured test*.at files: 3-step-rule. - three-step rule: setup, ... Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [caa06ef] * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/IPointCloud.hpp (modified) * src/PointCloudAdaptor.hpp (modified) * src/boundary.cpp (modified) * src/molecule_graph.cpp (modified) * src/tesselation.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (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) Added name to PointCloudAdaptor, set by constructor. - name is used ... Tue, 01 Mar 2011 10:16:38 GMT Frederik Heber [34c43a] * configure.ac (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/IPointCloud.hpp (added) * src/Makefile.am (modified) * src/PointCloud.cpp (deleted) * src/PointCloud.hpp (deleted) * src/PointCloudAdaptor.hpp (added) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.cpp (modified) * src/unittests/TesselationUnitTest.hpp (modified) * src/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified) * src/unittests/Tesselation_InsideOutsideUnitTest.hpp (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) Bigger change: Replaced PointCloud by PointCloudAdaptor. - ... Mon, 07 Feb 2011 10:25:52 GMT Frederik Heber [881c05] * tests/regression/Makefile.am (modified) * tests/regression/Tesselation/BigConvex/post/NonConvexEnvelope.dat (moved) * tests/regression/Tesselation/BigConvex/post/NonConvexEnvelope.r3d (moved) * tests/regression/Tesselation/BigConvex/post/test.conf (moved) * tests/regression/Tesselation/BigConvex/pre/test.conf (moved) * tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (added) * tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.dat (moved) * tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.r3d (moved) * tests/regression/Tesselation/BigNonConvex/post/tecplot.phy (moved) * tests/regression/Tesselation/BigNonConvex/post/test.conf (moved) * tests/regression/Tesselation/BigNonConvex/pre/test.conf (moved) * tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (added) * tests/regression/Tesselation/Convex/post/ConvexEnvelope.dat (moved) * tests/regression/Tesselation/Convex/post/ConvexEnvelope.r3d (moved) * tests/regression/Tesselation/Convex/post/NonConvexEnvelope.dat (moved) * tests/regression/Tesselation/Convex/post/NonConvexEnvelope.r3d (moved) * tests/regression/Tesselation/Convex/post/test.conf (moved) * tests/regression/Tesselation/Convex/pre/test.conf (moved) * tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (added) * tests/regression/Tesselation/NonConvex/post/NonConvexEnvelope.dat (moved) * tests/regression/Tesselation/NonConvex/post/NonConvexEnvelope.r3d (moved) * tests/regression/Tesselation/NonConvex/post/test.conf (moved) * tests/regression/Tesselation/NonConvex/pre/test.conf (moved) * tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (added) * tests/regression/Tesselation/testsuite-tesselation.at (added) * tests/regression/testsuite-tesselation.at (deleted) * tests/regression/testsuite.at (modified) Changed regression testsuite structure of Tesselation. - all ... Mon, 28 Jun 2010 15:38:05 GMT Frederik 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, 19 Jun 2010 15:54:47 GMT Frederik Heber [274d45] * src/Hbondangle.db (modified) * src/Hbonddistance.db (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/orbitals.db (modified) * src/periodentafel.cpp (modified) * src/valence.db (modified) * tests/regression/Domain/2/post/test.conf (modified) * tests/regression/Domain/3/post/test.conf (modified) * tests/regression/Domain/4/post/test.conf (modified) * tests/regression/Domain/5/post/test.conf (modified) * tests/regression/Filling/1/post/test.conf (modified) * tests/regression/Filling/1/pre/test.conf (modified) * tests/regression/Molecules/6/post/test.conf (modified) * tests/regression/Molecules/6/pre/test.conf (modified) * tests/regression/Molecules/7/post/test.conf (modified) * tests/regression/Molecules/7/pre/test.conf (modified) * tests/regression/Simple_configuration/2/post/test.conf (modified) * tests/regression/Simple_configuration/3/post/test.conf (modified) * tests/regression/Simple_configuration/4/post/test.conf (modified) * tests/regression/Simple_configuration/5/post/test.conf (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/regression/testsuite-tesselation.at (modified) FIX: Atoms were stored not in the sequence they were loaded. 1. The ... Tue, 01 Jun 2010 20:25:36 GMT Frederik Heber [15b670] * src/molecule_geometry.cpp (modified) * src/tesselationhelpers.cpp (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Testfixes for Tesselations/1-3 and bugfixes for ... Sat, 29 May 2010 15:12:43 GMT Frederik Heber [f37746] * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) FIX: As molecule::DetermineCenterOfAll() was broken, centers used in ... Mon, 26 Apr 2010 17:25:44 GMT Frederik Heber [260c29] * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Regression test of Tesselation for test case 15 "Big non-convex ... Wed, 13 Jan 2010 13:37:01 GMT Frederik Heber [fc9992] * src/tesselationhelpers.cpp (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) Small fixes to make checks working again. - Tesselations tests 13 ... Wed, 16 Dec 2009 16:17:50 GMT Frederik Heber [482373] * src/builder.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * tests/testsuite.at (modified) Fixing the testsuite. - Putting performCriticalExit() everywhere ... Tue, 06 Oct 2009 17:56:15 GMT Frederik Heber [ebcade] * src/builder.cpp (modified) * tests/Makefile.am (modified) * tests/regression/Fragmentation/1/pre/test.conf (added) * tests/regression/Fragmentation/2/post/BondFragment0.conf (added) * tests/regression/Fragmentation/2/post/BondFragment0.conf.xyz (added) * tests/regression/Fragmentation/2/post/BondFragment1.conf (added) * tests/regression/Fragmentation/2/post/BondFragment1.conf.xyz (added) * tests/regression/Fragmentation/2/post/BondFragment2.conf (added) * tests/regression/Fragmentation/2/post/BondFragment2.conf.xyz (added) * tests/regression/Fragmentation/2/post/BondFragment3.conf (added) * tests/regression/Fragmentation/2/post/BondFragment3.conf.xyz (added) * tests/regression/Fragmentation/2/post/BondFragment4.conf (added) * tests/regression/Fragmentation/2/post/BondFragment4.conf.xyz (added) * tests/regression/Fragmentation/2/post/BondFragmentAdjacency.dat (added) * tests/regression/Fragmentation/2/post/BondFragmentForces-Factors.dat (added) * tests/regression/Fragmentation/2/post/BondFragmentKeySets.dat (added) * tests/regression/Fragmentation/2/post/BondFragmentOrderAtSite.dat (added) * tests/regression/Fragmentation/2/post/BondFragmentTE-Factors.dat (added) * tests/regression/Fragmentation/2/post/test.conf (added) * tests/regression/Fragmentation/2/pre/test.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment0.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (added) * tests/regression/Fragmentation/3/pre/BondFragment1.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (added) * tests/regression/Fragmentation/3/pre/BondFragment2.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (added) * tests/regression/Fragmentation/3/pre/BondFragment3.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (added) * tests/regression/Fragmentation/3/pre/BondFragment4.conf (added) * tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (added) * tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (added) * tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (added) * tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (added) * tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (added) * tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (added) * tests/regression/Fragmentation/3/pre/test.conf (added) * tests/regression/Graph/1/post/test.conf (added) * tests/regression/Graph/1/pre/test.conf (added) * tests/regression/Simple_configuration/1/post/test.xyz (added) * tests/regression/Simple_configuration/2/post/test.conf (added) * tests/regression/Simple_configuration/2/post/test.conf.xyz (added) * tests/regression/Simple_configuration/2/pre/test.xyz (added) * tests/regression/Simple_configuration/3/post/test.conf (added) * tests/regression/Simple_configuration/3/post/test.conf.xyz (added) * tests/regression/Simple_configuration/4/post/test.conf (added) * tests/regression/Simple_configuration/4/post/test.conf.xyz (added) * tests/regression/Simple_configuration/4/pre/test.conf (added) * tests/regression/Simple_configuration/5/post/test.conf (added) * tests/regression/Simple_configuration/5/post/test.conf.xyz (added) * tests/regression/Simple_configuration/5/pre/test.conf (added) * tests/regression/Simple_configuration/6/pre/empty.conf (added) * tests/regression/Simple_configuration/7/pre/test.conf (added) * tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (added) * tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (added) * tests/regression/Tesselation/1/post/test.conf (added) * tests/regression/Tesselation/1/pre/test.conf (added) * tests/regression/Tesselation/2/post/ConvexEnvelope.dat (added) * tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (added) * tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (added) * tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (added) * tests/regression/Tesselation/2/post/test.conf (added) * tests/regression/Tesselation/2/pre/test.conf (added) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (added) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (added) * tests/regression/Tesselation/3/post/tecplot.phy (added) * tests/regression/Tesselation/3/post/test.conf (added) * tests/regression/Tesselation/3/pre/test.conf (added) * tests/regression/Tesselation/4/post/NonConvexEnvelope.dat (added) * tests/regression/Tesselation/4/post/NonConvexEnvelope.r3d (added) * tests/regression/Tesselation/4/post/test.conf (added) * tests/regression/Tesselation/4/pre/test.conf (added) * tests/testsuite.at (modified) Extended the testsuite to encompass the vital areas of molecuilder. ...