#
# ChangeLog for src
#
# Generated by Trac 1.6
# May 24, 2025, 9:22:15 PM

Tue, 20 Apr 2010 10:34:43 GMT Frederik Heber <heber@…> [f07f86d]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Rewrite of tesselation procedure: treatment of degenerated triangles. ...


Tue, 20 Apr 2010 09:21:51 GMT Frederik Heber <heber@…> [061b06]
	* src/linkedcell.cpp (modified)

	BUGFIXES: LinkedCell::SetIndexToNode() had wrong boundaries in zero ...


Fri, 16 Apr 2010 13:52:20 GMT Frederik Heber <heber@…> [d5fea7]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	FIX: If multiple open lines can be chosen in AddTesselationLine(), ...


Fri, 16 Apr 2010 12:26:16 GMT Frederik Heber <heber@…> [474961]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	New approach to degenerated triangles: Recognize on creation and add ...


Thu, 15 Apr 2010 15:22:51 GMT Frederik Heber <heber@…> [ebb50e]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	Renamed AddCandidateTriangle() -> AddCandidatePolygon()

	- ...


Thu, 15 Apr 2010 15:01:27 GMT Frederik Heber <heber@…> [bc3f2a]
	* src/World.cpp (modified)

	FIX: string instead of string.h was included for strcpy()


Mon, 12 Apr 2010 16:45:07 GMT Frederik Heber <heber@…> [f8bd7d]
	* src/boundary.cpp (modified)

	FIX: changed the order in which triangles are picked next during ...


Mon, 12 Apr 2010 16:44:29 GMT Frederik Heber <heber@…> [09898c]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Changes to BoundaryTriangleSet and CandidateForTesselation.

	- ...


Mon, 12 Apr 2010 16:25:50 GMT Frederik Heber <heber@…> [ffe885]
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)

	BUGFIX: LinkedCell::GetPointsInsideSphere() did not work if center of ...


Fri, 09 Apr 2010 13:41:52 GMT Frederik Heber <heber@…> [4f9e47]
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)

	Full-working LinkedCellUnitTest.

	- new unit test for class ...


Fri, 09 Apr 2010 13:41:26 GMT Frederik Heber <heber@…> [a3696f]
	* src/atom_particleinfo.cpp (modified)

	ofstream operators now check for Name being NULL and print NULL in ...


Fri, 09 Apr 2010 13:39:03 GMT Frederik Heber <heber@…> [893bea]
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)

	changes to LinkedCell::GetNeighbourBounds(), ...


Fri, 09 Apr 2010 10:14:20 GMT heber <heber@…> [dcea0f]
	* src/unittests/LinkedCellUnitTest.cpp (added)
	* src/unittests/LinkedCellUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	New Unit test for class LinkedCell.

	- this is just the skeleton, so ...


Fri, 09 Apr 2010 09:55:39 GMT heber <heber@…> [734816]
	* src/boundary.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.hpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)

	LinkedNodes is now declared inside LinkedCell and some new functions. ...


Thu, 01 Apr 2010 18:52:09 GMT Frederik Heber <heber@…> [fe238c]
	* src/analysis_bonds.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Enhanced CountHydrogenBridgeBonds() a bit.

	- new functions ...


Thu, 01 Apr 2010 13:49:25 GMT Frederik Heber <heber@…> [388049]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Moved functions CountBondsOfTwo(), CountBondsOfThree() and ...


Thu, 01 Apr 2010 09:35:42 GMT Frederik Heber <heber@…> [62c9c0]
	* src/unittests/CountBondsUnitTest.cpp (modified)

	Added output of test cases for visualization. Is commented out ...


Tue, 30 Mar 2010 18:52:14 GMT Frederik Heber <heber@…> [dfe8ef]
	* src/bondgraph.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (added)
	* src/unittests/CountBondsUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	BUGFIX: CountHydrogenBridgeBonds() was half-broken, ...


Fri, 19 Mar 2010 15:42:58 GMT Frederik Heber <heber@…> [f18185]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)

	Implemented counting of bonds over all atoms.

	- new functions in ...


Thu, 18 Mar 2010 15:38:56 GMT Frederik Heber <heber@…> [1cbf47]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)

	Introduced CountHydrogenBridgeBonds() function.

	- ...


Thu, 18 Mar 2010 11:39:57 GMT Frederik Heber <heber@…> [c7b1e7]
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)

	Merge branch 'FixGeneralizeStoreAdjacencyToFile' into ...


Thu, 18 Mar 2010 11:39:21 GMT Frederik Heber <heber@…> [b48ba6]
	* src/bondgraph.hpp (modified)
	* src/defs.hpp (modified)

	Shifted BONDTHRESHOLD from defs.hpp over to bondgraph.hpp and lowered ...


Thu, 18 Mar 2010 11:37:26 GMT Frederik Heber <heber@…> [8ab0407]
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)

	molecule::StoreAdjacencyToFile() and molecule::StoreBondsToFile() now ...


Thu, 18 Mar 2010 11:33:54 GMT Frederik Heber <heber@…> [58ed4a]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/helpers.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/log.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/vector.cpp (modified)

	Log() and eLog() are prepended by a DoLog()/DoeLog() construct.

	- ...


Thu, 18 Mar 2010 10:21:13 GMT Frederik Heber <heber@…> [7ee87f]
	* src/World.cpp (modified)

	BUGFIX: DefaultName of molecule was too small an array.

	- We saw ...


Thu, 04 Mar 2010 14:57:48 GMT Frederik Heber <heber@…> [6e6e10]
	* src/config.cpp (modified)

	BUGFIX: config::SaveTREMOLO() - TREMOLO does not like particle Id 0
 ...


Wed, 03 Mar 2010 19:17:58 GMT Frederik Heber <heber@…> [70429af]
	* src/moleculelist.cpp (modified)

	Merge branch 'FixDissectIntoSubgraphs_ConstructBondGraphcheck' into ...


Wed, 03 Mar 2010 19:17:49 GMT Frederik Heber <heber@…> [f42e95]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)

	Merge branch 'FixBinDataStartEnd' into Analysis_PairCorrelation


Wed, 03 Mar 2010 19:17:19 GMT Frederik Heber <heber@…> [6e8dc2]
	* src/linkedcell.cpp (modified)

	Merge branch 'FixLinkedCellConstructor_Setempytcheck' into ...


Wed, 03 Mar 2010 19:14:31 GMT Frederik Heber <heber@…> [85da4e]
	* src/analysis_correlation.hpp (modified)

	BUGFIX: in BinData() binmap should be initialized from start to end ...


Wed, 03 Mar 2010 19:13:43 GMT Frederik Heber <heber@…> [271e17]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)

	Merge branch 'FixGetBin_tointeger' into FixBinDataStartEnd


Wed, 03 Mar 2010 19:10:36 GMT Frederik Heber <heber@…> [bd61b41]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)

	BUGFIX: rounding imprecision let values appear twice in BinMap.

	- ...


Wed, 03 Mar 2010 18:43:55 GMT Frederik Heber <heber@…> [b72091]
	* src/moleculelist.cpp (modified)

	BUGFIX: MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs() - ...


Wed, 03 Mar 2010 18:37:28 GMT Frederik Heber <heber@…> [caf4ba]
	* src/linkedcell.cpp (modified)

	BUGFIX: LinkedCell::LinkedCell() - before set->empty() check whether ...


Wed, 03 Mar 2010 14:53:07 GMT Frederik Heber <heber@…> [046783]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Default molecule name can be set via command line, BUGFIX: ...


Wed, 03 Mar 2010 14:45:28 GMT Frederik Heber <heber@…> [a837d0]
	* src/boundary.cpp (modified)

	BUGFIX: FillBoxWithMolecule() - bonds were added after adding of each ...


Wed, 03 Mar 2010 10:13:19 GMT Frederik Heber <heber@…> [b34306]
	* src/Makefile.am (modified)
	* src/World.cpp (added)
	* src/World.hpp (added)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/vector.cpp (modified)

	singleton class World introduced, contains only cell_size from class ...


Wed, 03 Mar 2010 09:31:24 GMT Frederik Heber <heber@…> [c5805a]
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)

	FIX: allowing empty config files, and filling can deal with no ...


Tue, 02 Mar 2010 16:12:19 GMT Frederik Heber <heber@…> [cb85c2e]
	* src/builder.cpp (modified)

	ManipulateAtoms() can turn atoms around bonds again, in ...


Mon, 01 Mar 2010 22:10:13 GMT Frederik Heber <heber@…> [8db598]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/triangleintersectionlist.cpp (added)
	* src/triangleintersectionlist.hpp (added)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)

	New class TriangleIntersection List and (hopefully) final fix of ...


Mon, 01 Mar 2010 20:46:40 GMT Frederik Heber <heber@…> [30d9e7]
	* src/boundary.cpp (modified)

	Bigger change to FillBoxWithMolecule().

	- BUG: Position check was ...


Mon, 01 Mar 2010 20:41:21 GMT Frederik Heber <heber@…> [b74f7d]
	* src/builder.cpp (modified)

	FIX: ParseCommandLineOptions - case 'C' used wrong LC width, case 'F' ...


Mon, 01 Mar 2010 20:28:32 GMT Frederik Heber <heber@…> [821907]
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Added Vector Copy constructors, Vector::GetDistanceVectorToPlane() ...


Mon, 01 Mar 2010 20:28:00 GMT Frederik Heber <heber@…> [b11d3b]
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/gslvectorunittest.hpp (modified)

	Added operators and state checkers to GSLVector.

	- added operators ...


Sun, 21 Feb 2010 13:34:41 GMT Frederik Heber <heber@…> [775d133]
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Filling has a MaxDistance, somes changes to the Correlation Analysis. ...


Mon, 08 Feb 2010 15:29:35 GMT Frederik Heber <heber@…> [164a33]
	* src/builder.cpp (modified)

	changed case 'C' of ParseCommandLineOptions to allow selecting ...


Tue, 02 Feb 2010 09:43:52 GMT Frederik Heber <heber@…> [1f1b23]
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)

	Possibility to store all bonds to file added.

	So far we only could ...


Sat, 30 Jan 2010 19:00:47 GMT Frederik Heber <heber@…> [790807]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)

	Output....Correlation() don't prepend header line with '#', BinData() ...


Sat, 30 Jan 2010 18:04:05 GMT Frederik Heber <heber@…> [d6eb80]
	* src/boundary.cpp (modified)

	FIX: FillBoxWithMolecule() - seed of random number generator was not ...


Sat, 30 Jan 2010 17:35:48 GMT Frederik Heber <heber@…> [481601]
	* src/builder.cpp (modified)

	Added output of surfacemap in ParseCommandLineOptions(), case 'C'
	again.


Tue, 26 Jan 2010 12:52:31 GMT Frederik Heber <heber@…> [244a84]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

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


Tue, 26 Jan 2010 12:41:04 GMT Frederik Heber <heber@…> [315164]
	* src/version.h (added)

	Merge branch 'FixVersioning3' into Analysis_PairCorrelation


Tue, 26 Jan 2010 12:32:00 GMT Frederik Heber <heber@…> [f34def]
	* src/version.h (added)

	Fixed versioning.

	- FIX: version.h was falsely excluded in ...


Thu, 14 Jan 2010 18:06:40 GMT Frederik Heber <heber@…> [498ea0]
	* src/tesselation.cpp (modified)

	BUGFIX: Tesselation::IsInnerPoint() returned wrong result.

	- We ...


Thu, 14 Jan 2010 17:46:24 GMT Frederik Heber <heber@…> [124e14]
	* src/helpers.hpp (modified)

	Merge branch 'FixTemplatedMinMax' into FixFillingWithMolecule


Thu, 14 Jan 2010 17:45:22 GMT Frederik Heber <heber@…> [76102e]
	* src/helpers.hpp (modified)

	Rather use parameter passing by value instead of reference.

	- We ...


Thu, 14 Jan 2010 17:43:34 GMT Frederik Heber <heber@…> [e9c677]
	* src/unittests/Makefile.am (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (added)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (added)

	Unit test for BoundaryTriangleSet member functions added.

	- for now ...


Thu, 14 Jan 2010 17:36:09 GMT Frederik Heber <heber@…> [9473f6]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	FillBoxWithMolecule now allows boundary between filler molecules and ...


Thu, 14 Jan 2010 17:32:47 GMT Frederik Heber <heber@…> [7b36fe]
	* src/vector.cpp (modified)

	Changed verbosity for Vector::GetIntersectionWithPlane().

	- when ...


Wed, 13 Jan 2010 14:01:55 GMT Frederik Heber <heber@…> [48b47a]
	* src/tesselation.cpp (modified)

	FillWithMolecule() is now working correctly.

	 - FillWithMolecule() ...


Wed, 13 Jan 2010 14:01:30 GMT Frederik Heber <heber@…> [9dbea5]
	* src/helpers.hpp (modified)

	Templated Min and Max functions added.

	Signed-off-by: Frederik ...


Wed, 13 Jan 2010 14:00:14 GMT Frederik Heber <heber@…> [8468cb]
	* src/boundary.cpp (modified)

	Boolean return value of Tesselation::IsInnerPoint in ...


Wed, 13 Jan 2010 13:37:01 GMT Frederik Heber <heber@…> [fc9992]
	* src/tesselationhelpers.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)

	Small fixes to make checks working again.

	- Tesselations tests 13 ...


Mon, 11 Jan 2010 09:35:52 GMT Frederik Heber <heber@…> [241485]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Removed unnecessary epsilon parameter.

	- epsilon before was used as ...


Mon, 11 Jan 2010 09:16:36 GMT Frederik Heber <heber@…> [fee69b]
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)

	Fixed Tesselation::IsInnerPoint()

	- Both unit tests ...


Mon, 11 Jan 2010 03:06:30 GMT Frederik Heber <heber@…> [fcad4b]
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)

	InsideOutside unit test of tesselation is working correctly.

	- FIX: ...


Mon, 11 Jan 2010 03:04:59 GMT Frederik Heber <heber@…> [68a53b]
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)

	BUGFIX - Test was wrong in upper bounds of inside area.

	- upper ...


Sun, 10 Jan 2010 19:25:50 GMT Frederik Heber <heber@…> [865272f]
	* src/gslmatrix.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (modified)

	Added Determinant() function to class GSLMatrix.

	- new function ...


Sun, 10 Jan 2010 19:24:58 GMT Frederik Heber <heber@…> [2793ef]
	* src/gslvector.cpp (modified)

	FIX - GSLVector::Set() return value was double instead of void.
 ...


Sun, 10 Jan 2010 19:24:02 GMT Frederik Heber <heber@…> [9d6308]
	* src/vector.cpp (modified)

	Vector::GetIntersectionOfTwoLinesOnPlane() rewritten.

	Use routine ...


Sun, 10 Jan 2010 19:15:01 GMT Frederik Heber <heber@…> [31a6af]
	* src/unittests/Makefile.am (modified)

	libgslwrapper.a added to LDADD of most tests.

	Since Vector class ...


Sun, 10 Jan 2010 19:12:40 GMT Frederik Heber <heber@…> [a5a630]
	* src/tesselationhelpers.cpp (modified)

	BUGFIX - GetCenterOfSphere(): condition were not put correctly in ...


Sun, 10 Jan 2010 19:10:52 GMT Frederik Heber <heber@…> [ebe4d6]
	* src/molecule_dynamics.cpp (modified)

	BUGFIX - molecule::MinimiseConstrainedPotential() OldPotential was ...


Sun, 10 Jan 2010 19:09:56 GMT Frederik Heber <heber@…> [1f61b6]
	* src/gslmatrix.hpp (modified)
	* src/gslvector.hpp (modified)
	* src/linearsystemofequations.hpp (modified)

	Inclusion of config.h was missing.

	This caused a bug with GSL's ...


Sun, 10 Jan 2010 19:09:14 GMT Frederik Heber <heber@…> [3e50ff]
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)

	cstdlib header was missing, necessary for free, malloc and calloc
 ...


Sun, 10 Jan 2010 19:05:34 GMT Frederik Heber <heber@…> [49e1ae]
	* src/analyzer.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/joiner.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	cstring header was missing in files, supplying definition of strlen, ...


Fri, 08 Jan 2010 17:48:35 GMT Frederik Heber <heber@…> [f60610]
	* src/Makefile.am (modified)
	* src/linearsystemofequations.cpp (added)
	* src/linearsystemofequations.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (added)
	* src/unittests/linearsystemofequationsunittest.hpp (added)

	Wrapper class for gsl_linalg along with working Unit test.

	- new ...


Fri, 08 Jan 2010 17:46:51 GMT Frederik Heber <heber@…> [fc3b67]
	* src/Makefile.am (modified)
	* src/gslmatrix.cpp (added)
	* src/gslmatrix.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (added)
	* src/unittests/gslmatrixsymmetricunittest.hpp (added)
	* src/unittests/gslmatrixunittest.cpp (added)
	* src/unittests/gslmatrixunittest.hpp (added)

	Wrapper class for gsl_matrix along with working Unit test.

	- new ...


Fri, 08 Jan 2010 17:44:51 GMT Frederik Heber <heber@…> [9fb860]
	* src/Makefile.am (modified)
	* src/gslvector.cpp (added)
	* src/gslvector.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/gslvectorunittest.cpp (added)
	* src/unittests/gslvectorunittest.hpp (added)

	Wrapper class for gsl_vector along with working Unit test.

	- new ...


Fri, 08 Jan 2010 14:04:22 GMT Frederik Heber <heber@…> [97498a]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/vector.cpp (modified)

	Attempt to fix the tesselation::IsInnerPoint().

	We try the ...


Tue, 29 Dec 2009 14:48:49 GMT Frederik Heber <heber@…> [c15ca2]
	* src/analysis_correlation.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (added)
	* src/unittests/tesselation_insideoutsideunittest.hpp (added)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)

	Changes to FindClosest...ToVector() and use of ..Map,..Set,..List ...


Sat, 19 Dec 2009 19:32:24 GMT Frederik Heber <heber@…> [71b20e]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)

	Attempt to fix the embedding.

	Basically it would be working, but ...


Sat, 19 Dec 2009 19:31:34 GMT Frederik Heber <heber@…> [3930eb]
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule_geometry.cpp (modified)

	Smaller fixes.

	- analysis_correlation.cpp: Info objects created at ...


Thu, 17 Dec 2009 17:45:35 GMT Frederik Heber <heber@…> [125b3c]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Non-convex tesselation seems to be working.

	Seems like it has been ...


Wed, 16 Dec 2009 16:18:46 GMT Frederik Heber <heber@…> [0b2dd2]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Merge branch 'FixTestSuite' into FixDegeneratedTesselation


Wed, 16 Dec 2009 16:18:41 GMT Frederik Heber <heber@…> [009e37b]
	* src/Makefile.am (modified)

	Merge branch 'FixVersioning2' into FixDegeneratedTesselation


Wed, 16 Dec 2009 16:17:50 GMT Frederik Heber <heber@…> [482373]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Fixing the testsuite.

	- Putting performCriticalExit() everywhere ...


Wed, 16 Dec 2009 16:01:11 GMT Frederik Heber <heber@…> [c135eb7]
	* src/Makefile.am (modified)

	Removed --tags as we have signed the "initial_commit" tag.

	- git ...


Wed, 16 Dec 2009 11:53:06 GMT Frederik Heber <heber@…> [b998c3]
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Fix attempts of the Tesselation.

	One problem still remains:
	 - ...


Wed, 16 Dec 2009 11:51:17 GMT Frederik Heber <heber@…> [5e8f82]
	* src/parser.cpp (modified)

	FIX: MatrixContainer::ParseMatrix() should not call ...


Wed, 16 Dec 2009 11:49:40 GMT Frederik Heber <heber@…> [cd7b0f]
	* src/config.cpp (modified)

	BUGFIX: delete(mol) belongs to the commented-out ...


Wed, 16 Dec 2009 11:47:47 GMT Frederik Heber <heber@…> [a8eb4a]
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)

	Added versioning to each executable.

	- credits to Ralf Wildenhues ...


Sat, 28 Nov 2009 18:01:00 GMT Frederik Heber <heber@…> [fad93c]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	The finding of the degenerated polygons' endpoints was not yet ...


Sat, 28 Nov 2009 15:45:59 GMT Frederik Heber <heber@…> [856098]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Correction of degenerated polygons is working.

	- Correction of ...


Fri, 27 Nov 2009 14:39:06 GMT Frederik Heber <heber@…> [262bae]
	* src/boundary.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)

	First compiling version of CorrectDegeneratedPolygons.

	- several ...


Fri, 27 Nov 2009 14:38:33 GMT Frederik Heber <heber@…> [523917]
	* src/config.cpp (modified)

	Rename of internal variable due to upcoming name-conflict with ...


Thu, 26 Nov 2009 11:40:01 GMT Frederik Heber <heber@…> [4fc93f]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* tests/Tesselations/defs.in (added)

	removing automatic dissection on loading, Tesselations test now ...


Thu, 26 Nov 2009 11:36:44 GMT Frederik Heber <heber@…> [27bd2f]
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	BUGFIX: testcase heptan was not correctly tesselated, as edges of a ...


Wed, 25 Nov 2009 15:52:27 GMT Frederik Heber <heber@…> [7273fc]
	* src/tesselation.cpp (modified)

	Tesselation::FindStartingTriangle() now also uses ...


Wed, 25 Nov 2009 15:29:18 GMT Frederik Heber <heber@…> [f67b6e]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Multi-Candidate-Add included and incorporated class Info into ...