# # ChangeLog for src/analysis_bonds.hpp # # Generated by Trac 1.4.4 # Dec 26, 2024, 9:28:12 AM Sat, 07 Aug 2010 13:46:16 GMT Frederik Heber [88b400] * TestRunnerClient.cpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/BoundaryMaps.hpp (modified) * src/BoundaryTriangleSet.hpp (modified) * src/CandidateForTesselation.cpp (modified) * src/CandidateForTesselation.hpp (modified) * src/Makefile.am (modified) * src/ThermoStatContainer.hpp (modified) * src/analysis_bonds.hpp (modified) * src/bondgraph.cpp (modified) * src/bondgraph.hpp (modified) * src/boundary.hpp (modified) * src/defs.cpp (added) * src/defs.hpp (modified) * src/joiner.cpp (modified) * src/molecule.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AtomDescriptorTest.hpp (modified) * src/unittests/MoleculeDescriptorTest.hpp (modified) * src/unittests/atomsCalculationTest.hpp (modified) * src/unittests/manipulateAtomsTest.hpp (modified) * src/unittests/tesselation_boundarytriangleunittest.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) converted #define's to enums, consts and typedefs [Meyers, "Effective ... 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: ... Thu, 27 May 2010 09:17:11 GMT Frederik Heber [bfd839] * src/Legacy/oldmenu.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/builder.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) Changed and added counting of hydrogen bonds to menu. - ... Tue, 18 May 2010 15:20:52 GMT Frederik Heber [4eb4fe] * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/builder.cpp (modified) * src/elements.db (modified) * src/elements_db.cpp (added) * src/elements_db.hpp (added) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.hpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/analysisbondsunittest.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/listofbondsunittest.hpp (modified) * src/unittests/periodentafelTest.cpp (added) * src/unittests/periodentafelTest.hpp (added) * tests/testsuite.at (modified) "-e " not necessary anymore. Removed necessity of ... 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 ... Sat, 07 Nov 2009 12:25:32 GMT Frederik Heber [220cf37] * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/analysisbondsunittest.hpp (modified) Two new bond analysis functions. - GetMaxMinMeanBondCount() - ... Sat, 07 Nov 2009 09:46:08 GMT Frederik Heber [96c961] * src/Makefile.am (modified) * src/analysis_bonds.cpp (added) * src/analysis_bonds.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/analysisbondsunittest.cpp (added) * src/unittests/analysisbondsunittest.hpp (added) Added initial analysis_bonds.cpp and unit test for Analysis of bonds. ...