#
# ChangeLog for src/MoleculeLeafClass.hpp
#
# Generated by Trac 1.4.4
# Dec 28, 2024, 10:02:22 PM

Mon, 03 Dec 2012 09:49:30 GMT Frederik Heber <heber@…> [339910]
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Fragmentation.hpp (modified)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.hpp (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/MoleculeLeafClass.hpp (modified)

	Fragmentation now operates on a single molecule.

	- ...


Fri, 26 Oct 2012 13:24:01 GMT Frederik Heber <heber@…> [f96874]
	* src/Fragmentation/AdaptivityMap.cpp (modified)
	* src/Fragmentation/AdaptivityMap.hpp (modified)
	* src/Fragmentation/AtomMask.hpp (added)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Fragmentation.hpp (modified)
	* src/Fragmentation/Makefile.am (modified)
	* src/Fragmentation/Mask.hpp (added)
	* src/Fragmentation/MoleculeMask.hpp (added)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.hpp (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/MoleculeLeafClass.hpp (modified)

	AtomMask is now a set, inherited into own class.

	- this is ...


Fri, 26 Oct 2012 13:24:01 GMT Frederik Heber <heber@…> [6d551c]
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.hpp (modified)
	* src/Graph/ListOfLocalAtoms.hpp (added)
	* src/Graph/Makefile.am (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/MoleculeLeafClass.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)

	ListOfLocalAtoms is now a map, inherited into a distinct class.

	- ...


Wed, 26 Oct 2011 15:02:53 GMT Frederik Heber <heber@…> [07a47e]
	* configure.ac (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/GraphAction/DepthFirstSearchAction.def (modified)
	* src/Fragmentation/BondsPerShortestPath.cpp (modified)
	* src/Fragmentation/BondsPerShortestPath.hpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Fragmentation.hpp (modified)
	* src/Fragmentation/HydrogenSaturation_enum.hpp (added)
	* src/Fragmentation/PowerSetGenerator.cpp (modified)
	* src/Fragmentation/PowerSetGenerator.hpp (modified)
	* src/Graph/BreadthFirstSearchAdd.cpp (modified)
	* src/Graph/BreadthFirstSearchAdd.hpp (modified)
	* src/Graph/CyclicStructureAnalysis.cpp (modified)
	* src/Graph/CyclicStructureAnalysis.hpp (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/MoleculeLeafClass.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/moleculelist.cpp (modified)

	Replaced enable/disable-hydrogen by internal switch.

	- changes in ...


Tue, 25 Oct 2011 12:08:03 GMT Frederik Heber <heber@…> [d3abb1]
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (modified)
	* src/Makefile.am (modified)
	* src/MoleculeLeafClass.cpp (added)
	* src/MoleculeLeafClass.hpp (added)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Extracted MoleculeLeafClass into own module.

	- removed some ...