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# ChangeLog for src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def
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# Generated by Trac 1.4.4
# Mar 23, 2025, 11:08:55 PM

Tue, 29 Apr 2014 12:42:44 GMT Frederik Heber <heber@…> [5eaa23]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/FragmentationAction/MolecularDynamicsAction.def (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)

	Added sensible default values to MolecularDynamics sequence of
	Actions.


Thu, 17 Oct 2013 07:24:06 GMT Frederik Heber <heber@…> [0588e9]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/FragmentMolecule/pre/benzene.pdb (added)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)

	AnalyseFragmentationResultsAction now also calculates and prints ...


Fri, 09 Aug 2013 14:20:36 GMT Frederik Heber <heber@…> [bf1d1b]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FitPotentialAction.cpp (modified)
	* src/Fragmentation/Homology/HomologyContainer.cpp (modified)
	* src/Fragmentation/Homology/HomologyContainer.hpp (modified)
	* src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp (modified)
	* src/Fragmentation/Homology/unittests/Makefile.am (modified)
	* src/FunctionApproximation/TrainingData.cpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	HomologyContainer now stores full struct as value to HomologyGraph ...


Fri, 09 Aug 2013 14:20:35 GMT Frederik Heber <heber@…> [d449a9]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FitPotentialAction.cpp (modified)
	* src/Actions/FragmentationAction/FitPotentialAction.def (modified)
	* src/Actions/FragmentationAction/ParseHomologiesAction.cpp (added)
	* src/Actions/FragmentationAction/ParseHomologiesAction.def (added)
	* src/Actions/FragmentationAction/ParseHomologiesAction.hpp (added)
	* src/Actions/FragmentationAction/SaveHomologiesAction.cpp (added)
	* src/Actions/FragmentationAction/SaveHomologiesAction.def (added)
	* src/Actions/FragmentationAction/SaveHomologiesAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (modified)

	Split off parsing and saving of homologies into new Actions.


Mon, 15 Apr 2013 18:13:22 GMT Frederik Heber <heber@…> [55e1bc]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Energy.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Forces.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Times.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentResults.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)

	FragmentationResultContainer is serializable.

	- ...


Mon, 15 Apr 2013 18:13:22 GMT Frederik Heber <heber@…> [a3427f]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (added)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (added)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.hpp (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp (added)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (added)
	* src/Fragmentation/Summation/Containers/Makefile.am (modified)

	Split FragmentationAutomationAction into calculation and analysis.
 ...