# # ChangeLog for src/Fragmentation/Exporters/SphericalPointDistribution.cpp # # Generated by Trac 1.4.4 # Jan 1, 2025, 4:14:46 PM Mon, 12 Sep 2016 23:48:36 GMT Frederik Heber [0983e6] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) Refactoring SphericalPointDistribution to combine point list and ... Mon, 12 Sep 2016 23:48:36 GMT Frederik Heber [653cea] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (modified) SphericalPointDistribution is now working with bond degree weights. ... Mon, 12 Sep 2016 23:48:36 GMT Frederik Heber [450adf] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (modified) Extracted joinPoints() function to make it accessible to tests. - ... Mon, 12 Sep 2016 23:48:36 GMT Frederik Heber [2199c2] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (modified) Extended SphericalPointDistribution::Polygon_t to WeightedPolygon_t. ... Mon, 12 Sep 2016 23:48:34 GMT Frederik Heber [b67d89] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (modified) Using the idea of three points giving a triangle to find rotation ... Mon, 12 Sep 2016 14:03:15 GMT Frederik Heber [b3c052] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (modified) Dropped quaternion rotation for simple arbitrary rotation axis and ... Mon, 12 Sep 2016 14:03:15 GMT Frederik Heber [f9d85f] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) Implemented rotations via boost::quaternions. Mon, 12 Sep 2016 14:03:15 GMT Frederik Heber [946948] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) FIX: SphericalPointDistribution succeeds with unit test. - removed ... Mon, 12 Sep 2016 14:03:15 GMT Frederik Heber [7e81ca] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) Added Logging to SphericalPointDistribution for debugging. Mon, 12 Sep 2016 14:03:15 GMT Frederik Heber [6cb1cd] * src/Actions/AtomAction/SaturateAction.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_carbon.at (modified) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at (modified) Removing SphericalPointDistribution::getSimplePolygon() to allow for ... Mon, 12 Sep 2016 14:03:11 GMT Frederik Heber [0c42f2] * src/Actions/AtomAction/SaturateAction.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution_getPoints.cpp (modified) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_carbon.at (modified) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at (modified) Extended SaturateAction to be able to deal with bonded atoms. - ... Sat, 10 Sep 2016 16:01:20 GMT Frederik Heber [64cafb2] * src/Actions/AtomAction/SaturateAction.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (added) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (added) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_carbon.at (modified) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at (modified) Revert "Trimmed down SphericalPointDistribution to what is needed at ... Fri, 13 Feb 2015 09:17:02 GMT Frederik Heber [0241c5] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp (deleted) * src/Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp (deleted) Trimmed down SphericalPointDistribution to what is needed at the moment. Fri, 13 Feb 2015 08:20:24 GMT Frederik Heber [f54930] * src/Fragmentation/Exporters/SphericalPointDistribution.cpp (added) * src/Fragmentation/Exporters/SphericalPointDistribution.hpp (modified) * src/Fragmentation/Exporters/SphericalPointDistribution_getPoints.cpp (added) * src/Fragmentation/Makefile.am (modified) Moved all code from header of SphericalPointDistribution into cpp module.