#
# ChangeLog for molecuilder/src/bondgraph.cpp
#
# Generated by Trac 1.6
# Sep 22, 2025, 9:38:45 AM

Tue, 26 Jan 2010 12:52:31 GMT Frederik Heber <heber@…> [478683]
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/analysis_correlation.hpp (modified)
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)

	GetDistanceToSurface() separated, filling now with water instead of ...


Wed, 16 Dec 2009 11:53:06 GMT Frederik Heber <heber@…> [65f1dba]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)

	Fix attempts of the Tesselation.

	One problem still remains:
	 - ...


Mon, 23 Nov 2009 18:22:33 GMT Frederik Heber <heber@…> [418117a]
	* molecuilder/src/analyzer.cpp (modified)
	* molecuilder/src/atom_bondedparticle.cpp (modified)
	* molecuilder/src/atom_graphnode.cpp (modified)
	* molecuilder/src/atom_trajectoryparticle.cpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/memoryusageobserver.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/vector.cpp (modified)

	Verbosity corrected for ERROR and WARNING

	- present ERROR and ...


Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber <heber@…> [543ce4]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/analysis_correlation.hpp (modified)
	* molecuilder/src/analyzer.cpp (modified)
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/atom_bondedparticle.cpp (modified)
	* molecuilder/src/atom_bondedparticle.hpp (modified)
	* molecuilder/src/atom_graphnode.cpp (modified)
	* molecuilder/src/atom_graphnode.hpp (modified)
	* molecuilder/src/atom_trajectoryparticle.cpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/bondgraph.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/datacreator.cpp (modified)
	* molecuilder/src/element.cpp (modified)
	* molecuilder/src/element.hpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/ellipsoid.hpp (modified)
	* molecuilder/src/errorlogger.cpp (moved)
	* molecuilder/src/errorlogger.hpp (moved)
	* molecuilder/src/graph.cpp (modified)
	* molecuilder/src/graph.hpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/joiner.cpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/log.cpp (modified)
	* molecuilder/src/log.hpp (modified)
	* molecuilder/src/logger.cpp (modified)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/memoryusageobserver.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_pointcloud.cpp (modified)
	* molecuilder/src/molecule_template.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)
	* molecuilder/src/test/ActOnAlltest.hpp (modified)
	* molecuilder/src/unittests/ActOnAllUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* molecuilder/src/unittests/Makefile.am (modified)
	* molecuilder/src/unittests/bondgraphunittest.cpp (modified)
	* molecuilder/src/unittests/logunittest.cpp (modified)
	* molecuilder/src/unittests/memoryallocatorunittest.cpp (modified)
	* molecuilder/src/unittests/stackclassunittest.cpp (modified)
	* molecuilder/src/unittests/tesselationunittest.cpp (modified)
	* molecuilder/src/unittests/vectorunittest.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* molecuilder/src/verbose.cpp (modified)

	Huge change from ofstream * (const) out --> Log().

	- first shift ...


Tue, 03 Nov 2009 16:34:31 GMT Frederik Heber <heber@…> [c1b4a4]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/bondgraph.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)

	"not working parsed molecule into subgraph splitting"-BUG fixed, ...


Tue, 03 Nov 2009 14:34:02 GMT Frederik Heber <heber@…> [08b88b]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/bondgraph.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)

	Fixing not created adjacency list, partially fixing subgraph ...


Fri, 30 Oct 2009 16:09:29 GMT Frederik Heber <heber@…> [245826]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)

	BondGraph is initialized within config::Load(), as it has to happen ...


Fri, 30 Oct 2009 15:49:38 GMT Frederik Heber <heber@…> [b84ab4]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/unittests/bondgraphunittest.cpp (modified)

	BondGraph is parsed if command line switch '-g' is given.

	- ...


Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber <heber@…> [5f697c]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/atom_bondedparticle.cpp (modified)
	* molecuilder/src/atom_bondedparticle.hpp (modified)
	* molecuilder/src/bondgraph.cpp (added)
	* molecuilder/src/bondgraph.hpp (added)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/unittests/Makefile.am (modified)
	* molecuilder/src/unittests/bondgraphunittest.cpp (added)
	* molecuilder/src/unittests/bondgraphunittest.hpp (added)

	New class BondGraph.

	- BondGraph parses a file containing bond ...