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# ChangeLog for src/Fragmentation/Exporters/SaturatedFragment.hpp
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# Generated by Trac 1.4.4
# Mar 21, 2025, 5:23:17 PM

Fri, 11 Nov 2016 14:25:35 GMT Frederik Heber <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 <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 <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 <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 <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 <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 <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.