# # ChangeLog for / # # Generated by Trac 1.6 # May 24, 2025, 10:47:23 AM Wed, 02 Jun 2010 10:51:38 GMT Tillmann Crueger [d690fa] * src/vector.cpp (modified) * src/vector.hpp (modified) Replaced array inside of Vector with gsl_vector structure. Wed, 02 Jun 2010 10:46:31 GMT Tillmann Crueger [d466f0] * src/vector.cpp (modified) * src/vector.hpp (modified) Made the internal parts of Vector use accessor functions instead of ... Wed, 02 Jun 2010 09:05:47 GMT Tillmann Crueger [27ac00] * src/Exceptions/MultipleSolutionsException.hpp (added) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/tesselation.cpp (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/PlaneUnittest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) Made the line-plane intersection method take a line instead of two ... Fri, 28 May 2010 11:50:14 GMT Tillmann Crueger [5589858] * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) Added methods to construct orthogonal planes from lines and vice versa Fri, 28 May 2010 11:41:08 GMT Tillmann Crueger [ccf826] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.hpp (modified) * src/molecule_geometry.cpp (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/PlaneUnittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed Vector::mirror() in favour of Plane::mirror() Fri, 28 May 2010 08:25:27 GMT Tillmann Crueger [42a101] * src/Legacy/oldmenu.cpp (modified) * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Space.cpp (modified) * src/Space.hpp (modified) * src/unittests/LineUnittest.cpp (modified) * src/unittests/LineUnittest.hpp (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/vector_ops.hpp (modified) Removed RotateVector() function in favor of Line::rotateVector() ... Thu, 27 May 2010 14:24:34 GMT Tillmann Crueger [643e76] * src/Line.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector_ops.cpp (modified) * src/vector_ops.hpp (modified) Removed getIntersectionOfTwoLinesOnPlane() in favor of the ... Thu, 27 May 2010 14:15:57 GMT Tillmann Crueger [45ef76] * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/LineUnittest.cpp (added) * src/unittests/LineUnittest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added several methods to the line class. Thu, 27 May 2010 11:28:58 GMT Tillmann Crueger [47191b] * src/periodentafel.cpp (modified) Merge branch 'PeriodenRefactoring' into StructureRefactoring Thu, 27 May 2010 11:28:37 GMT Tillmann Crueger [215df0] * src/Exceptions/SkewException.cpp (added) * src/Exceptions/SkewException.hpp (added) * src/Makefile.am (modified) * src/atom.cpp (modified) * src/tesselation.cpp (modified) * src/vector_ops.cpp (modified) Simplified some methods. Fri, 21 May 2010 10:23:40 GMT Tillmann Crueger [1ac51b] * src/periodentafel.cpp (modified) Made the construction of the names of database files simpler Fri, 21 May 2010 10:08:40 GMT Tillmann Crueger [8f215d] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Simplified tesselation.cpp by allowing direct access to derived ... Thu, 20 May 2010 16:12:03 GMT Tillmann Crueger [f2f4ae] * src/Helpers/MemDebug.cpp (modified) * src/unittests/Makefile.am (modified) Made the memory debugger thread safe Thu, 20 May 2010 15:57:02 GMT Tillmann Crueger [93dfc7b] * src/Helpers/MemDebug.cpp (modified) Made the delete handle deletion of NULL pointers more gracefully Thu, 20 May 2010 15:51:14 GMT Tillmann Crueger [d4c9ae] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed the DistanceToPlane method in the Vector class in favor of a ... Thu, 20 May 2010 13:45:01 GMT Tillmann Crueger [5702280] * src/Helpers/MemDebug.cpp (modified) * src/Helpers/MemDebug.hpp (modified) Made it possible to disable the MemoryTracker using Compileflags Wed, 19 May 2010 14:03:42 GMT Tillmann Crueger [bab12a] * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) FIX: Fix of bug introduced during Vector Refactoring Testsuite now ... Sat, 08 May 2010 12:48:58 GMT Tillmann Crueger [6d789df] * 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) Merge commit 'Gitosis/StructureRefactoring' into StructureRefactoring Sat, 08 May 2010 12:47:57 GMT Tillmann Crueger [68f03d] * src/Helpers/MemDebug.cpp (modified) * src/analysis_bonds.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/bond.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) FIX: Memory corruption in particleInfo class 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, ... Fri, 30 Apr 2010 14:01:28 GMT Tillmann Crueger [6f646d] * src/Line.cpp (added) * src/Line.hpp (added) * src/Makefile.am (modified) Added a line class that represents one dimensional subspaces Fri, 30 Apr 2010 13:33:12 GMT Tillmann Crueger [fa5a6a] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/PlaneUnittest.cpp (added) * src/unittests/PlaneUnittest.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Added unittests for planes Fri, 30 Apr 2010 10:07:23 GMT Tillmann Crueger [1513a74] * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Declared the Vector class as single point spaces Fri, 30 Apr 2010 09:53:16 GMT Tillmann Crueger [005e18] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.cpp (modified) * src/Space.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added const correctness to plane class and simplified interface Fri, 30 Apr 2010 09:35:01 GMT Tillmann Crueger [0e01b4] * src/Plane.cpp (modified) FIX: small bug in the Plane::isContained() method Fri, 30 Apr 2010 09:32:59 GMT Tillmann Crueger [2cbe97] * src/Plane.cpp (modified) * src/Plane.hpp (modified) Added exception specifiers to plane class Fri, 30 Apr 2010 09:23:37 GMT Tillmann Crueger [3cdd16] * src/Exceptions/LinearDependenceException.cpp (modified) * src/Exceptions/LinearDependenceException.hpp (modified) * src/Exceptions/MathException.cpp (added) * src/Exceptions/MathException.hpp (added) * src/Exceptions/ZeroVectorException.cpp (added) * src/Exceptions/ZeroVectorException.hpp (added) * src/Makefile.am (modified) * src/Plane.cpp (modified) Added more Exceptions to the project to signal differen Math erorrs Fri, 30 Apr 2010 09:03:57 GMT Tillmann Crueger [2247a9] * src/Makefile.am (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.cpp (added) * src/Space.hpp (added) Added a class Space to represent general subspaces of R^3 (planes and ... Thu, 29 Apr 2010 21:25:44 GMT Frederik Heber [cdf8fb] * src/Helpers/MemDebug.cpp (modified) Merge branch 'FixMemDebug_strncpy' into StructureRefactoring Thu, 29 Apr 2010 21:25:09 GMT Frederik Heber [28c351] * src/Helpers/MemDebug.cpp (modified) FIX: strncpy was lacking cstring include. Thu, 29 Apr 2010 16:11:43 GMT Tillmann Crueger [c61c87] * src/Plane.cpp (modified) * src/Plane.hpp (modified) Added a method that allows construction of three arbitrary points on ... Thu, 29 Apr 2010 16:03:30 GMT Tillmann Crueger [1829c4] * src/Plane.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) FIX: Bug that caused memory corruption in ... Thu, 29 Apr 2010 15:30:55 GMT Tillmann Crueger [1f7864] * src/Helpers/MemDebug.cpp (modified) FIX: Stupid bug in the Debug-new that destroyed some memory Thu, 29 Apr 2010 14:38:29 GMT Tillmann Crueger [d79639] * src/Helpers/MemDebug.cpp (modified) * src/Helpers/MemDebug.hpp (modified) Improved comments for the memory tracker Thu, 29 Apr 2010 13:55:21 GMT Tillmann Crueger [8cbb97] * src/Exceptions/CustomException.cpp (added) * src/Exceptions/CustomException.hpp (added) * src/Exceptions/LinearDependenceException.cpp (added) * src/Exceptions/LinearDependenceException.hpp (added) * src/Helpers/fast_functions.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Plane.cpp (added) * src/Plane.hpp (added) * src/UIElements/TextDialog.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/gslmatrix.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.cpp (modified) * src/linearsystemofequations.cpp (modified) * src/linkedcell.cpp (modified) * 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_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (added) * src/vector_ops.hpp (added) Merge branch 'VectorRefactoring' into StructureRefactoring ... Wed, 28 Apr 2010 14:52:56 GMT Tillmann Crueger [753f02] * src/Helpers/fast_functions.hpp (modified) * src/Makefile.am (modified) * src/SingleVector.cpp (deleted) * src/SingleVector.hpp (deleted) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed Algebraic Hierachy from vector. Wed, 28 Apr 2010 13:31:57 GMT Tillmann Crueger [632bc3] * src/Actions/Action.cpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Helpers/MemDebug.cpp (added) * src/Helpers/MemDebug.hpp (added) * src/Makefile.am (modified) * src/builder.cpp (modified) Added a small memory tracker to the programm. Tue, 27 Apr 2010 14:25:42 GMT Frederik Heber [5f612ee] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_trajectoryparticle.cpp (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/defs.hpp (modified) * src/ellipsoid.cpp (modified) * src/errorlogger.cpp (modified) * src/graph.cpp (modified) * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/log.cpp (modified) * src/log.hpp (modified) * src/memoryusageobserver.cpp (modified) * 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/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (added) * src/triangleintersectionlist.hpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/gslvectorunittest.hpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.hpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * src/verbose.hpp (modified) * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/defs.in (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Merge branch 'Analysis_PairCorrelation' into StructureRefactoring ... Mon, 26 Apr 2010 18:19:38 GMT Frederik Heber [c695c9] * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/defs.in (modified) Merge branch 'FixMolecuilderTestsTesselations_defs' into ... 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 ... 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 ... Mon, 26 Apr 2010 16:38:47 GMT Frederik Heber [d6c485] * src/World.cpp (modified) Merge branch 'FixWorld_wrongauthor' into Analysis_PairCorrelation Mon, 26 Apr 2010 16:38:14 GMT Frederik Heber [70378e] * src/World.cpp (modified) FIX: Author of World.cpp has been wrongly set (by eclipse) to heber ... Mon, 26 Apr 2010 16:35:42 GMT Frederik Heber [b8c9d8] * src/World.cpp (modified) Merge branch 'FixWorld_differentdefaultcell_size' into ... Mon, 26 Apr 2010 16:34:22 GMT Frederik Heber [fd179f] * src/World.cpp (modified) FIX: cell_size in World has not been set to a default size, i.e. has ... Mon, 26 Apr 2010 16:22:17 GMT Frederik Heber [6cd16b] * src/unittests/analysisbondsunittest.cpp (modified) Merge branch 'FixAnalysisBonds_carbonwrongZ' into ... Mon, 26 Apr 2010 16:19:32 GMT Frederik Heber [6056f1] * src/unittests/analysisbondsunittest.cpp (modified) FIX: AnalysisBondsUnitTests has been broken due to Z of carbon same ... Mon, 26 Apr 2010 16:13:02 GMT Frederik Heber [fe6c3e] * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) Merge branch 'FixAnalysisCorrelation_zeroinitallbins' into ... Mon, 26 Apr 2010 16:11:23 GMT Frederik Heber [3d9df5] * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) FIX: AnalysisCorrelationToPointUnitTest has been broken due to init ... Mon, 26 Apr 2010 16:04:41 GMT Frederik Heber [3b9e34] * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) Merge branch 'FixAnalysisCorrelation_zeroinitallbins' into ... Mon, 26 Apr 2010 16:00:24 GMT Frederik Heber [c6394d] * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) FIX: AnalysisCorrelationToSurfaceUnitTest has been broken since ... Mon, 26 Apr 2010 15:47:54 GMT Frederik Heber [ee7e25] * src/molecule_graph.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) Merge branch 'FixBondGraphUnitTest_hydrogencarbon' into ... Mon, 26 Apr 2010 15:42:45 GMT Frederik Heber [e5ad5c] * src/molecule_graph.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) BUGFIX: BondGraphUnitTest was not working. Changes: - atoms are ... Mon, 26 Apr 2010 13:49:59 GMT Tillmann Crueger [13d5a9] * src/Actions/small_actions.cpp (modified) * src/Helpers/Assert.cpp (modified) * src/Helpers/Assert.hpp (modified) Added macros that allow type safe casting using the Assert mechanism Sun, 25 Apr 2010 13:36:17 GMT Tillmann Crueger [8bb2fd] * src/Helpers/Assert.hpp (modified) FIX: Repaired some of the NDEBUG macros for ASSERT Sun, 25 Apr 2010 13:16:09 GMT Tillmann Crueger [8de8f7] * src/UIElements/TextDialog.cpp (modified) Made the input methods more robust to invalid inputs. Sun, 25 Apr 2010 12:48:24 GMT Tillmann Crueger [033a05] * src/Helpers/Assert.hpp (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/unittests/ObserverTest.cpp (modified) Small improvements to Observer code Sat, 24 Apr 2010 15:27:00 GMT Tillmann Crueger [ccacba] * src/Helpers/Assert.hpp (modified) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) Added methods for specialized Notifications from the Observer Framework Fri, 23 Apr 2010 08:09:40 GMT Frederik Heber [b5c2d7] * src/boundary.cpp (modified) Don't exit when no starting triangle has been found. - The issue is ... Thu, 22 Apr 2010 20:09:48 GMT Frederik Heber [b1a6d8] * src/tesselation.cpp (modified) BUGFIX in Tesselation::FindThirdPointForTesselation() - ThirdPoint of ... Thu, 22 Apr 2010 15:47:22 GMT Frederik Heber [ce70970] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) FIX: Tesselation::FindStartingTriangle() returns false when no ... Thu, 22 Apr 2010 15:03:42 GMT Frederik Heber [cfe56d] * src/tesselation.cpp (modified) BUGFIX of Tesselation::FindStartingTriangle() - second Point ... Thu, 22 Apr 2010 14:13:32 GMT Frederik Heber [b0a5f1] * src/tesselation.cpp (modified) BUGFIX of Tesselation::AddTesselationLine() - comparing Vector ... Thu, 22 Apr 2010 14:10:08 GMT Frederik Heber [620a3f] * src/tesselation.cpp (modified) BUGFIX in Tesselation::FindThirdPointForTesselation() - regarding ... Thu, 22 Apr 2010 14:07:14 GMT Frederik Heber [f04f11] * src/tesselation.cpp (modified) small changes to tesselation. - ... Thu, 22 Apr 2010 14:05:32 GMT Frederik Heber [b40a93] * src/boundary.cpp (modified) FindNonConvexBorder(): Instead of listing all open lines, just list ... Thu, 22 Apr 2010 14:02:09 GMT Frederik Heber [299554] * src/tesselationhelpers.cpp (modified) Changed verbosity of "sum of angle"-warning in ... Thu, 22 Apr 2010 14:00:03 GMT Frederik Heber [a67d19] * src/analysis_correlation.cpp (modified) * src/analyzer.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/ellipsoid.cpp (modified) * src/graph.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/vector.cpp (modified) Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) ... Wed, 21 Apr 2010 12:07:01 GMT Frederik Heber [6613ec] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Rewrite of tesselation: treatment of degenerated triangles and ... Wed, 21 Apr 2010 11:46:40 GMT Frederik Heber [bc84ffc] * src/moleculelist.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/vector.cpp (modified) Made some remaining cout's "info Log() << Verbose(.)"'s ... - ... Wed, 21 Apr 2010 11:42:54 GMT Frederik Heber [90f680] * src/errorlogger.cpp (modified) * src/log.cpp (modified) * src/verbose.cpp (modified) * src/verbose.hpp (modified) FIX: errorLogger now has absolute verbosity (i.e. CRITIAL is whatever ... Tue, 20 Apr 2010 12:20:10 GMT Frederik Heber [711ac2] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Memory leak fixes and code cleanup after tesselation rewrite. - ... Tue, 20 Apr 2010 12:19:24 GMT Frederik Heber [a26ca5] * src/bondgraph.cpp (modified) Fixed a warning in BondGraph::LoadBondLengthTable() due to missing ... Tue, 20 Apr 2010 10:35:15 GMT Frederik Heber [b60a29] * src/tesselationhelpers.cpp (modified) WriteTecplotFile() checked whether Tesselation::LastTriangle is not NULL. Tue, 20 Apr 2010 10:34:43 GMT Frederik Heber [f07f86d] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Rewrite of tesselation procedure: treatment of degenerated triangles. ... Tue, 20 Apr 2010 09:21:51 GMT Frederik Heber [061b06] * src/linkedcell.cpp (modified) BUGFIXES: LinkedCell::SetIndexToNode() had wrong boundaries in zero ... Fri, 16 Apr 2010 13:52:20 GMT Frederik Heber [d5fea7] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) FIX: If multiple open lines can be chosen in AddTesselationLine(), ... Fri, 16 Apr 2010 12:26:16 GMT Frederik Heber [474961] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) New approach to degenerated triangles: Recognize on creation and add ... Thu, 15 Apr 2010 15:22:51 GMT Frederik Heber [ebb50e] * src/boundary.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) Renamed AddCandidateTriangle() -> AddCandidatePolygon() - ... Thu, 15 Apr 2010 15:01:27 GMT Frederik Heber [bc3f2a] * src/World.cpp (modified) FIX: string instead of string.h was included for strcpy() Thu, 15 Apr 2010 13:17:15 GMT Tillmann Crueger [8a34392] * src/Actions/Action.hpp (modified) Improved documentation for the Action pattern Thu, 15 Apr 2010 10:54:26 GMT Tillmann Crueger [1bd79e] * src/Makefile.am (modified) * src/SingleVector.cpp (modified) * src/SingleVector.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * src/molecule.cpp (modified) * src/molecule_geometry.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Changed implementation of Vector to forward operations to contained ... Tue, 13 Apr 2010 13:22:42 GMT Tillmann Crueger [273382] * src/Legacy/oldmenu.cpp (modified) * src/Plane.cpp (modified) * src/SingleVector.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * 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_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Prepared interface of Vector Class for transition to VectorComposites Mon, 12 Apr 2010 16:45:07 GMT Frederik Heber [f8bd7d] * src/boundary.cpp (modified) FIX: changed the order in which triangles are picked next during ... Mon, 12 Apr 2010 16:44:29 GMT Frederik Heber [09898c] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) Changes to BoundaryTriangleSet and CandidateForTesselation. - ... Mon, 12 Apr 2010 16:25:50 GMT Frederik Heber [ffe885] * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) BUGFIX: LinkedCell::GetPointsInsideSphere() did not work if center of ... Fri, 09 Apr 2010 14:45:49 GMT Tillmann Crueger [72e7fa] * src/Makefile.am (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/SingleVector.cpp (added) * src/SingleVector.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) Started work on the VectorComposites Fri, 09 Apr 2010 13:41:52 GMT Frederik Heber [4f9e47] * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.hpp (modified) Full-working LinkedCellUnitTest. - new unit test for class ... Fri, 09 Apr 2010 13:41:26 GMT Frederik Heber [a3696f] * src/atom_particleinfo.cpp (modified) ofstream operators now check for Name being NULL and print NULL in ... Fri, 09 Apr 2010 13:39:03 GMT Frederik Heber [893bea] * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) changes to LinkedCell::GetNeighbourBounds(), ... Fri, 09 Apr 2010 10:14:20 GMT heber [dcea0f] * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) New Unit test for class LinkedCell. - this is just the skeleton, so ... Fri, 09 Apr 2010 09:55:39 GMT heber [734816] * src/boundary.cpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule_graph.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.hpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) LinkedNodes is now declared inside LinkedCell and some new functions. ... Thu, 08 Apr 2010 14:28:21 GMT Tillmann Crueger [a295d1] * src/Actions/Action.hpp (modified) More documentation for Action class added Thu, 08 Apr 2010 14:00:11 GMT Tillmann Crueger [2efa90] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Actions/ActionSequence.cpp (modified) * src/Actions/ActionSequence.hpp (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) Added detailed documentation for the Action class Wed, 07 Apr 2010 15:45:38 GMT Tillmann Crueger [0a4f7f] * src/Exceptions/CustomException.cpp (added) * src/Exceptions/CustomException.hpp (added) * src/Exceptions/LinearDependenceException.cpp (added) * src/Exceptions/LinearDependenceException.hpp (added) * src/Helpers/fast_functions.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Plane.cpp (added) * src/Plane.hpp (added) * src/UIElements/TextDialog.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/gslmatrix.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.cpp (modified) * src/linearsystemofequations.cpp (modified) * src/linkedcell.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (added) * src/vector_ops.hpp (added) Made data internal data-structure of vector class private - ... Thu, 01 Apr 2010 18:52:09 GMT Frederik Heber [fe238c] * src/analysis_bonds.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) Enhanced CountHydrogenBridgeBonds() a bit. - new functions ... Thu, 01 Apr 2010 13:49:25 GMT Frederik Heber [388049] * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/bondgraph.cpp (modified) * src/bondgraph.hpp (modified) * src/builder.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) Moved functions CountBondsOfTwo(), CountBondsOfThree() and ... Thu, 01 Apr 2010 09:35:42 GMT Frederik Heber [62c9c0] * src/unittests/CountBondsUnitTest.cpp (modified) Added output of test cases for visualization. Is commented out ... Tue, 30 Mar 2010 18:52:14 GMT Frederik Heber [dfe8ef] * src/bondgraph.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/Makefile.am (modified) BUGFIX: CountHydrogenBridgeBonds() was half-broken, ... Fri, 26 Mar 2010 15:13:31 GMT Tillmann Crueger [f9352d] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Actions/ActionHistory.hpp (modified) * src/Menu/ActionMenuItem.cpp (modified) * src/Menu/ActionMenuItem.hpp (modified) * src/Menu/MenuItem.cpp (modified) * src/Menu/MenuItem.hpp (modified) * src/Menu/TextMenu.cpp (modified) Added mechanism that deactivates undo and redo menupoint if not ...