# # ChangeLog for src/Fragmentation/Exporters/SaturatedFragment.hpp # # Generated by Trac 1.4.4 # Mar 21, 2025, 5:23:17 PM Fri, 11 Nov 2016 14:25:35 GMT Frederik Heber [c738f1] * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) FIX: SaturatedFragment::getEdges(). - SaturatedFragment now keeps ... Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [9445081] * src/Fragmentation/Automation/FragmentJobQueue.cpp (modified) * src/Fragmentation/Automation/FragmentJobQueue.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) FragmentJobQueue additionally stores the bond graph as an edge set ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [c6ddcb] * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp (modified) Added getRoughBoundingBox to SaturatedFragment. Sat, 16 Aug 2014 15:52:30 GMT Frederik Heber [98a293b] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp (modified) * src/Fragmentation/Exporters/ExportGraph.cpp (modified) * src/Fragmentation/Exporters/ExportGraph.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToFiles.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToFiles.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) * src/Fragmentation/Summation/Converter/DataConverter.hpp (modified) SaturatedFragment can deal with a global saturation position map. - ... Thu, 14 Aug 2014 14:49:51 GMT Frederik Heber [de2cbf] * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) Added SaturateFragment()::saturateAtom() replacing all cut bonds at ... Mon, 08 Apr 2013 11:56:08 GMT Frederik Heber [c39675] * src/Fragmentation/Exporters/ExportGraph.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) Added saturate() to SaturatedFragment. - basically, this is ... Mon, 08 Apr 2013 11:56:08 GMT Frederik Heber [7d5fcd] * src/Fragmentation/Exporters/SaturatedFragment.cpp (added) * src/Fragmentation/Exporters/SaturatedFragment.hpp (added) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (added) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp (added) * src/Fragmentation/Makefile.am (modified) Added SaturatedFragment as a wrapper to KeySet with saturation hydrogens.