# # ChangeLog for tests/Tesselations # # Generated by Trac 1.4.4 # Dec 25, 2024, 1:10:46 PM Sun, 30 May 2010 09:21:01 GMT Frederik Heber [318cea] * tests/Tesselations/defs.in (modified) FIX: Tesselations test failed on first. - defs.in would go into ... Sat, 15 May 2010 22:11:50 GMT Frederik Heber [12872d] * tests/Tesselations/defs.in (modified) FIX: Don't compare tesselation files directly but rather sorted list ... Sat, 08 May 2010 11:33:50 GMT Frederik 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, ... Mon, 26 Apr 2010 18:19:03 GMT Frederik Heber [491876] * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/defs.in (modified) FIX: Tesselation does not work in first run due to still present ... Thu, 26 Nov 2009 11:40:01 GMT Frederik Heber [4fc93f] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * tests/Tesselations/defs.in (added) removing automatic dissection on loading, Tesselations test now ... Tue, 24 Nov 2009 15:34:49 GMT Frederik 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 [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 ...