#
# ChangeLog for tests
#
# Generated by Trac 1.4.4
# Dec 27, 2024, 1:32:43 AM

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 ...


Tue, 06 Oct 2009 17:56:15 GMT Frederik Heber <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.
 ...


Mon, 05 Oct 2009 17:21:58 GMT Frederik Heber <heber@…> [c26f44]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/builder.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/molecules.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationunittest.cpp (modified)
	* tests/testsuite.at (modified)

	Fixed testsuite, removed some minor bugs.

	- ...


Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [6ac7ee]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (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.cpp (modified)
	* src/elements.db (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 ...


Thu, 16 Oct 2008 09:27:59 GMT Frederik Heber <heber@…> [f00693]
	* tests/testsuite.at (modified)

	New tests that check that if subsequent arguments to certain cmd ...


Mon, 18 Aug 2008 10:55:30 GMT Frederik Heber <heber@…> [ab3a0e]
	* tests/testsuite.at (modified)

	Fixed second test (main_pcp_linux was not written anymore, hence ...


Mon, 26 May 2008 13:28:28 GMT Frederik Heber <heber@…> [37b5bb]
	* src/periodentafel.cpp (modified)
	* tests/testsuite.at (modified)

	renamed ElementsFileName to PathToDatabases, -e now gives path to ...


Mon, 26 May 2008 13:21:19 GMT Frederik Heber <heber@…> [c9c643]
	* tests/testsuite.at (modified)

	fragmentation no more has various methods (dropped ... A)


Tue, 29 Apr 2008 07:55:11 GMT Frederik Heber <heber@…> [1fa5b7]
	* tests/testsuite.at (modified)

	config file is again first argument and implemented test of ...


Tue, 29 Apr 2008 07:06:18 GMT Frederik Heber <heber@…> [3c1dfb]
	* tests/testsuite.at (modified)

	Full test for fragmentation procedure with readin of the adjacency ...


Sun, 27 Apr 2008 13:05:46 GMT Frederik Heber <heber@…> [f3cba6]
	* tests/Makefile.am (added)
	* tests/atlocal.in (added)
	* tests/molecuilder.in (added)
	* tests/testsuite.at (added)

	forgot to commit the actual autotest files listed during last commit, ...