#
# ChangeLog for src
#
# Generated by Trac 1.4.4
# Dec 25, 2024, 5:08:43 PM

Sat, 12 Jun 2010 11:12:20 GMT Frederik Heber <heber@…> [88104f]
	* src/ConfigFileBuffer.cpp (added)
	* src/ConfigFileBuffer.hpp (added)
	* src/Makefile.am (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)

	Placed class ConfigFileBuffer into its own module.

	- this is a ...


Sat, 12 Jun 2010 10:34:14 GMT Frederik Heber <heber@…> [980dd6]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Case 'N' is now handled by CommandLineUI.

	- TESTFIX: Tesselation/1 ...


Fri, 11 Jun 2010 19:22:37 GMT Frederik Heber <heber@…> [f6bd32]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Case 'o' is now handled by CommandLineUI.

	- As of now, multiple ...


Fri, 11 Jun 2010 15:59:53 GMT Frederik Heber <heber@…> [6866aa]
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'I' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:52:44 GMT Frederik Heber <heber@…> [a307af]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'S' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:48:32 GMT Frederik Heber <heber@…> [a02462]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'L' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:27:20 GMT Frederik Heber <heber@…> [aacce8]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'P' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 15:21:51 GMT Frederik Heber <heber@…> [77b2d7]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 't' and 'T' are now handled by CommandLineUI.

	- TESTFIX: both ...


Fri, 11 Jun 2010 15:07:11 GMT Frederik Heber <heber@…> [e2b47c]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'R' is now handled by CommandLineUI.

	- again, for each atom to ...


Fri, 11 Jun 2010 14:49:15 GMT Frederik Heber <heber@…> [9d2a92]
	* src/builder.cpp (modified)

	ParseCommandLineOptions() - re-added removed argument count checking ...


Fri, 11 Jun 2010 14:38:34 GMT Frederik Heber <heber@…> [f4bd01]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'A' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 14:37:51 GMT Frederik Heber <heber@…> [d55743e]
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'r' is now handled by CommandLineUI.


Fri, 11 Jun 2010 14:20:11 GMT Frederik Heber <heber@…> [77de81]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 'J' and 'j' are now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 12:20:08 GMT Frederik Heber <heber@…> [54b953]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'E' is now handled by CommandLineUI.

	- TESTFIX: --element is ...


Fri, 11 Jun 2010 12:19:50 GMT Frederik Heber <heber@…> [f0a3ec]
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'a' is now handled by CommandLineUI.

	- NOTE: atom has still to ...


Fri, 11 Jun 2010 12:19:42 GMT Frederik Heber <heber@…> [6c7352]
	* src/builder.cpp (modified)

	Removed commented-out LoadPeriodentafel() and (second) ...


Fri, 11 Jun 2010 12:19:27 GMT Frederik Heber <heber@…> [387b36]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)

	Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() ...


Fri, 11 Jun 2010 12:19:18 GMT Frederik Heber <heber@…> [f821d6]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-standard_options.at (modified)

	Case 'n' is now handled by CommandLineUI.

	- TESTFIX: fastparsing ...


Fri, 11 Jun 2010 10:45:06 GMT Frederik Heber <heber@…> [bdaacd]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/builder.cpp (modified)

	Case 'M' is now handled by CommandLineUI.


Thu, 10 Jun 2010 16:24:24 GMT Frederik Heber <heber@…> [39af9f]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'g' is now handled by CommandLineUI.


Thu, 10 Jun 2010 16:20:36 GMT Frederik Heber <heber@…> [198494]
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'e' is now handled by CommandLineUI.

	- BUGFIX: ElementDbAction ...


Thu, 10 Jun 2010 16:17:22 GMT Frederik Heber <heber@…> [61745cc]
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)

	BUGFIX: LoadPeriodentafel() did not close files and elements have to ...


Thu, 10 Jun 2010 16:13:23 GMT Frederik Heber <heber@…> [7e6b00]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)

	FIX: Sequence of actions called from command line is now corrected.
 ...


Thu, 10 Jun 2010 16:05:53 GMT Frederik Heber <heber@…> [623e89]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)

	Compilation took ages because of CommandLineParser.hpp being ...


Wed, 09 Jun 2010 15:10:51 GMT Frederik Heber <heber@…> [2b5574]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Case 'm' is now handled by CommandLineUI.

	- TESTCHANGE: Analysis/5 ...


Wed, 09 Jun 2010 15:09:55 GMT Frederik Heber <heber@…> [31b09e]
	* src/Descriptors/MoleculeNameDescriptor.cpp (added)
	* src/Descriptors/MoleculeNameDescriptor.hpp (added)
	* src/Descriptors/MoleculeNameDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)

	Added new MoleculeDescriptor by name.

	- molecule Ids are rather ...


Wed, 09 Jun 2010 15:08:46 GMT Frederik Heber <heber@…> [58bbd3]
	* src/Actions/MapOfActions.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Cases 'C' are now handled by CommandLineUI.

	- TESTFIX: ...


Wed, 09 Jun 2010 14:09:46 GMT Frederik Heber <heber@…> [1e6913]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	Order of actions called did not conincide with order on command line. ...


Wed, 09 Jun 2010 14:06:23 GMT Frederik Heber <heber@…> [94d131]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)

	Helpful messages added to find failing queries in CommandLineUI.

	- ...


Wed, 09 Jun 2010 14:04:54 GMT Frederik Heber <heber@…> [104524]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (deleted)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)

	Changed PairCorrelationAction to incorporate all three cases and ...


Wed, 09 Jun 2010 11:12:08 GMT Frederik Heber <heber@…> [c78d44]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)

	Change to PairCorrelation...() functions, accept now vector<element ...


Tue, 08 Jun 2010 13:57:09 GMT Frederik Heber <heber@…> [8540f0]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'D' is now handled by CommandLineUI.


Tue, 08 Jun 2010 13:49:27 GMT Frederik Heber <heber@…> [e4b5de]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted)
	* tests/regression/testsuite-fragmentation.at (modified)

	Case 'f' is now handled by CommandLineUI.

	- ...


Tue, 08 Jun 2010 12:13:11 GMT Frederik Heber <heber@…> [48ab70a]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'u' is now handled by CommandLineUI.


Tue, 08 Jun 2010 11:18:45 GMT Frederik Heber <heber@…> [f2a1d3]
	* src/Makefile.am (modified)

	Merge branch 'FixRemovedElementsDBFromMakefile' into stable

	- ...


Tue, 08 Jun 2010 11:13:33 GMT Frederik Heber <heber@…> [4ed18b]
	* src/periodentafel.cpp (modified)

	Merge branch 'FixPeriodenTafelConstructorLoadDBs' into stable


Tue, 08 Jun 2010 11:12:24 GMT Frederik Heber <heber@…> [e58856b]
	* src/Makefile.am (modified)

	BUGFIX: elements.db has disappeared to early from .._DATA.

	- we ...


Tue, 08 Jun 2010 11:00:53 GMT Frederik Heber <heber@…> [b0e9c9]
	* src/periodentafel.cpp (modified)

	BUGFIX: Constructor of periodentafel had ASSERTs with function calls ...


Mon, 07 Jun 2010 23:55:30 GMT Frederik Heber <heber@…> [9907e7]
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-filling.at (modified)

	Case '-F' is now handled by CommandLineUI.

	- FIX: ...


Mon, 07 Jun 2010 23:53:44 GMT Frederik Heber <heber@…> [0286bc]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/Values.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)

	BUGFIX: ListOfDoubles changed to Box and Vector.

	- ListOfDoubles is ...


Wed, 02 Jun 2010 16:17:17 GMT Frederik Heber <heber@…> [e30ce8]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (added)
	* src/Descriptors/MoleculePtrDescriptor.hpp (added)
	* src/Descriptors/MoleculePtrDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/builder.cpp (modified)

	Case 'd' is now handled by CommandLineUI (RepeatBoxAction).

	- ...


Wed, 02 Jun 2010 14:40:30 GMT Frederik Heber <heber@…> [584a2a]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case '-O' is now handled by CommandLineUI (CenterOnEdgeAction).
 ...


Wed, 02 Jun 2010 14:38:07 GMT Frederik Heber <heber@…> [116f37]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/builder.cpp (modified)

	Case '-c' is now handled by CommandLineUI.

	- BUGFIX: ...


Wed, 02 Jun 2010 14:30:31 GMT Frederik Heber <heber@…> [accebe]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)

	Fix of PrepareClustersInWater (at least it does not stumble over ...


Wed, 02 Jun 2010 12:22:47 GMT Frederik Heber <heber@…> [7fd416]
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/moleculelist.cpp (modified)

	FIX: CorrelationToSurface() was broken.

	- DOCU: ...


Wed, 02 Jun 2010 12:21:38 GMT Frederik Heber <heber@…> [6ef0a4]
	* src/molecule_pointcloud.cpp (modified)

	Removed Info objects from the small pointcloud implementation ...


Tue, 01 Jun 2010 21:36:36 GMT Frederik Heber <heber@…> [009607e]
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)

	Small changes to ...Correlation...().

	- Calling doCountAtoms on all ...


Tue, 01 Jun 2010 21:36:22 GMT Frederik Heber <heber@…> [d51975]
	* src/boundary.cpp (modified)

	Small changes to FindConvexBorder().

	Signed-off-by: Frederik Heber ...


Tue, 01 Jun 2010 21:04:17 GMT Frederik Heber <heber@…> [e0aee2b]
	* src/boundary.cpp (modified)
	* tests/regression/Filling/1/post/test.conf (modified)

	Bugfix of FillBoxWithMolecule() and Testfix of Filling/1

	- BUGFIX: ...


Tue, 01 Jun 2010 20:25:36 GMT Frederik Heber <heber@…> [15b670]
	* src/molecule_geometry.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (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)

	Testfixes for Tesselations/1-3 and bugfixes for ...


Tue, 01 Jun 2010 19:59:25 GMT Frederik Heber <heber@…> [0de7e8]
	* src/helpers.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	FIX: Test Fragmentation is at MaxOrder was broken.

	- BUGFIX: ...


Tue, 01 Jun 2010 08:02:48 GMT Frederik Heber <heber@…> [acf800]
	* src/molecule_graph.cpp (modified)
	* tests/regression/Molecules/2/post/test.adj (modified)
	* tests/regression/Molecules/2/post/test.dbond (modified)
	* tests/regression/Molecules/2/pre/test.conf (modified)

	TESTFIX: Wrong (old) ordering of conf files (IonTyp2 before IonType1) ...


Tue, 01 Jun 2010 07:28:15 GMT Frederik Heber <heber@…> [bd6bfa]
	* src/bondgraph.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Molecules/6/post/test.conf (modified)
	* tests/regression/Molecules/7/post/test.conf (modified)

	Fixes after first,last removal.

	- BUGFIX: ...


Mon, 31 May 2010 18:41:12 GMT Frederik Heber <heber@…> [e08c46]
	* src/Legacy/oldmenu.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Removed molecule::first, molecule::last.

	- molecule does not have a ...


Mon, 31 May 2010 17:32:27 GMT Frederik Heber <heber@…> [1024cb]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Helpers/Assert.cpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedIterator.hpp (added)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/lists.cpp (deleted)
	* src/lists.hpp (modified)
	* src/memoryallocator.cpp (added)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Domain/5/pre/test.conf (modified)
	* tests/regression/Domain/6/post/test-x.conf (deleted)
	* tests/regression/Domain/6/post/test-x.conf.xyz (added)
	* tests/regression/Domain/6/post/test-y.conf (deleted)
	* tests/regression/Domain/6/post/test-y.conf.xyz (added)
	* tests/regression/Domain/6/post/test-z.conf (deleted)
	* tests/regression/Domain/6/post/test-z.conf.xyz (added)
	* tests/regression/Domain/6/post/test.conf (deleted)
	* tests/regression/Domain/6/pre/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf (deleted)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (added)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Merge commit 'jupiter/MoleculeStartEndSwitch' into ...


Mon, 31 May 2010 14:33:11 GMT Frederik Heber <heber@…> [42af9e]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/periodentafel.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	MEMFIXES: no more default saving/loading of element's db, ...


Mon, 31 May 2010 13:09:58 GMT Frederik Heber <heber@…> [920c70]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)

	Removed all Malloc/Calloc/ReAlloc (&Free) and replaced by new and ...


Sun, 30 May 2010 23:40:04 GMT Frederik Heber <heber@…> [158c594]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/builder.cpp (modified)

	Case '-b' now handled by CommandLineUI and fixes.

	- ...


Sun, 30 May 2010 23:18:48 GMT Frederik Heber <heber@…> [2a92ff]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case '-s' now handled by CommandLineUI.

	- FIX: Type Vector has to ...


Sun, 30 May 2010 23:03:49 GMT Frederik Heber <heber@…> [6ca1f7]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	case '-B' now handled by CommandLineUI.


Sun, 30 May 2010 22:49:13 GMT Frederik Heber <heber@…> [26f75a]
	* src/Actions/MapOfActions.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)

	FIX: Box was not parsed correctly.

	- ListOf... types have to be ...


Sun, 30 May 2010 17:29:38 GMT Frederik Heber <heber@…> [eddea2]
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* tests/regression/Molecules/7/post/test.conf (added)
	* tests/regression/Molecules/7/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-T' (periodic translation) to testsuite.

	- BUGFIX: ...


Sun, 30 May 2010 16:51:45 GMT Frederik Heber <heber@…> [9b7db1]
	* src/builder.cpp (modified)
	* tests/regression/Simple_configuration/8/post/test.conf (added)
	* tests/regression/Simple_configuration/8/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-R' (removing atoms outside of sphere) to testsuite.

	- ...


Sun, 30 May 2010 16:09:06 GMT Frederik Heber <heber@…> [c7a473]
	* src/atom_trajectoryparticle.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* tests/regression/Molecules/5/pre/test.conf (added)
	* tests/regression/Molecules/5/pre/test.forces (added)
	* tests/regression/testsuite.at (modified)

	Added cased '-P' (force integration) to testsuite.

	- this is ...


Sun, 30 May 2010 15:38:38 GMT Frederik Heber <heber@…> [f8f14d]
	* src/builder.cpp (modified)
	* tests/regression/Molecules/4/post/test.conf (added)
	* tests/regression/Molecules/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-L' (linear interpolation) to testsuite.

	- this just ...


Sun, 30 May 2010 15:18:50 GMT Frederik Heber <heber@…> [c68c90]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/regression/Molecules/1/pre/test.conf (added)
	* tests/regression/Molecules/1/pre/test.dbond (added)
	* tests/regression/testsuite.at (modified)

	Added case '-A' (parsing bonds) to testsuite.

	- ...


Sun, 30 May 2010 14:45:50 GMT Frederik Heber <heber@…> [5e11e4]
	* src/builder.cpp (modified)

	In-code created water molecule has been removed in ...


Sun, 30 May 2010 13:42:26 GMT Frederik Heber <heber@…> [08f6ff]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (added)
	* tests/regression/Analysis/3/post/output.csv (added)
	* tests/regression/Analysis/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C P' (correlation to point) to testsuite.

	- DOCUFIX: ...


Sun, 30 May 2010 13:41:37 GMT Frederik Heber <heber@…> [06f8ee]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/1/post/bin_output.csv (added)
	* tests/regression/Analysis/1/post/output.csv (added)
	* tests/regression/Analysis/1/pre/test.conf (added)
	* tests/regression/Analysis/2/post/bin_output-10.csv (added)
	* tests/regression/Analysis/2/post/bin_output-20.csv (added)
	* tests/regression/Analysis/2/post/bin_output-5.csv (added)
	* tests/regression/Analysis/2/post/output-10.csv (added)
	* tests/regression/Analysis/2/post/output-20.csv (added)
	* tests/regression/Analysis/2/post/output-5.csv (added)
	* tests/regression/Analysis/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C E' (pair correlation analysis) to testsuite.

	- ...


Sun, 30 May 2010 11:32:05 GMT Frederik Heber <heber@…> [5188f5]
	* src/builder.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Added case '-M' (MPQC basis) to testsuite.

	- ...


Sun, 30 May 2010 11:05:54 GMT Frederik Heber <heber@…> [93d732b]
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Added case '-X' (default mol name) to testsuite and bugfix.

	- ...


Sun, 30 May 2010 10:53:16 GMT Frederik Heber <heber@…> [ff73a2]
	* src/periodentafel.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Refined check for case '-e' of testsuite and some found bugfixes of ...


Sat, 29 May 2010 14:18:41 GMT Frederik Heber <heber@…> [62680e]
	* src/builder.cpp (modified)

	Merge branch 'FixReintroduceExitFlagtoParseCommandLineCall' into ...


Sat, 29 May 2010 14:15:27 GMT Frederik Heber <heber@…> [99fcaf]
	* src/builder.cpp (modified)

	FIX: Flag returned by ParseCommandLineOptions() needs to be heeded, ...


Sat, 29 May 2010 14:00:08 GMT Frederik Heber <heber@…> [b13ea4]
	* src/Actions/MapOfActions.cpp (modified)
	* tests/testsuite.at (modified)

	Merge branch 'FixtestsuiteforVerboseChanges' into ...


Sat, 29 May 2010 13:52:51 GMT Frederik Heber <heber@…> [6670a97]
	* src/Actions/MapOfActions.cpp (modified)
	* tests/testsuite.at (modified)

	Change to testsuite as verbosity is now defined as (-v 3) not as ...


Sat, 29 May 2010 13:11:22 GMT Frederik Heber <heber@…> [0fb9f6]
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)

	Fixes to prevent seg'faults.

	- ...


Thu, 27 May 2010 10:46:54 GMT Tillmann Crueger <crueger@…> [a7b761b]
	* src/Helpers/Assert.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedIterator.hpp (added)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/atom.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.hpp (modified)
	* src/lists.cpp (deleted)
	* src/lists.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.hpp (modified)

	Merge branch 'MoleculeStartEndSwitch' into StructureRefactoring
 ...


Fri, 21 May 2010 10:08:40 GMT Tillmann Crueger <crueger@…> [8f215d]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Simplified tesselation.cpp by allowing direct access to derived ...


Thu, 20 May 2010 16:12:03 GMT Tillmann Crueger <crueger@…> [f2f4ae]
	* src/Helpers/MemDebug.cpp (modified)
	* src/unittests/Makefile.am (modified)

	Made the memory debugger thread safe


Thu, 20 May 2010 15:57:02 GMT Tillmann Crueger <crueger@…> [93dfc7b]
	* src/Helpers/MemDebug.cpp (modified)

	Made the delete handle deletion of NULL pointers more gracefully


Thu, 20 May 2010 15:51:14 GMT Tillmann Crueger <crueger@…> [d4c9ae]
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Removed the DistanceToPlane method in the Vector class in favor of a ...


Thu, 20 May 2010 13:45:01 GMT Tillmann Crueger <crueger@…> [5702280]
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)

	Made it possible to disable the MemoryTracker using Compileflags


Wed, 19 May 2010 18:46:52 GMT Frederik Heber <heber@…> [8de375]
	* src/Helpers/MemDebug.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/bond.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	Merge branch 'StructureRefactoring' into CommandLineActionMapping
 ...


Wed, 19 May 2010 18:41:05 GMT Frederik Heber <heber@…> [eff648]
	* src/builder.cpp (modified)

	BUGFIX: In ParseCommandLineOptions() -v and -V were mixed.

	- ...


Wed, 19 May 2010 14:03:42 GMT Tillmann Crueger <crueger@…> [bab12a]
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)

	FIX: Fix of bug introduced during Vector Refactoring

	Testsuite now ...


Tue, 18 May 2010 15:58:58 GMT Frederik Heber <heber@…> [673c7f]
	* src/molecule_geometry.cpp (modified)
	* tests/regression/Simple_configuration/2/post/test.conf.in (added)
	* tests/regression/Simple_configuration/3/post/test.conf.in (added)

	BUGFIX: molecule::DetermineCenterOfAll() was broken for single atom.
 ...


Tue, 18 May 2010 15:20:52 GMT Frederik Heber <heber@…> [4eb4fe]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/builder.cpp (modified)
	* src/elements.db (modified)
	* src/elements_db.cpp (added)
	* src/elements_db.hpp (added)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)
	* src/unittests/CountBondsUnitTest.cpp (modified)
	* src/unittests/CountBondsUnitTest.hpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/analysisbondsunittest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.hpp (modified)
	* src/unittests/periodentafelTest.cpp (added)
	* src/unittests/periodentafelTest.hpp (added)
	* tests/testsuite.at (modified)

	"-e <db path>" not necessary anymore.

	Removed necessity of ...


Tue, 18 May 2010 15:18:24 GMT Frederik Heber <heber@…> [5079a0]
	* Makefile.am (modified)
	* configure.ac (modified)
	* src/Actions/Makefile.am (added)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (moved)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (moved)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (moved)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (moved)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (moved)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (moved)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (moved)
	* src/UIElements/CommandLineUI/CommandLineWindow.hpp (moved)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/MainWindow.cpp (modified)
	* src/UIElements/Makefile.am (added)
	* src/UIElements/Menu/ActionMenuItem.cpp (moved)
	* src/UIElements/Menu/ActionMenuItem.hpp (moved)
	* src/UIElements/Menu/DisplayMenuItem.cpp (moved)
	* src/UIElements/Menu/DisplayMenuItem.hpp (moved)
	* src/UIElements/Menu/Menu.cpp (moved)
	* src/UIElements/Menu/Menu.hpp (moved)
	* src/UIElements/Menu/MenuItem.cpp (moved)
	* src/UIElements/Menu/MenuItem.hpp (moved)
	* src/UIElements/Menu/SeperatorItem.cpp (moved)
	* src/UIElements/Menu/SeperatorItem.hpp (moved)
	* src/UIElements/Menu/SubMenuItem.cpp (moved)
	* src/UIElements/Menu/SubMenuItem.hpp (moved)
	* src/UIElements/Menu/TextMenu.cpp (moved)
	* src/UIElements/Menu/TextMenu.hpp (moved)
	* src/UIElements/TextUI/TextDialog.cpp (moved)
	* src/UIElements/TextUI/TextDialog.hpp (moved)
	* src/UIElements/TextUI/TextStatusIndicator.cpp (moved)
	* src/UIElements/TextUI/TextStatusIndicator.hpp (moved)
	* src/UIElements/TextUI/TextUIFactory.cpp (moved)
	* src/UIElements/TextUI/TextUIFactory.hpp (moved)
	* src/UIElements/TextUI/TextWindow.cpp (moved)
	* src/UIElements/TextUI/TextWindow.hpp (moved)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/Views/MethodStringView.cpp (moved)
	* src/UIElements/Views/MethodStringView.hpp (moved)
	* src/UIElements/Views/StreamStringView.cpp (moved)
	* src/UIElements/Views/StreamStringView.hpp (moved)
	* src/UIElements/Views/StringView.cpp (moved)
	* src/UIElements/Views/StringView.hpp (moved)
	* src/UIElements/Views/View.cpp (moved)
	* src/UIElements/Views/View.hpp (moved)

	Actions put into libMolecuilderActions, UIElements into ...


Mon, 17 May 2010 17:31:35 GMT Frederik Heber <heber@…> [f65e1f]
	* src/builder.cpp (modified)

	FIX: list of arguments passed to ParseCommandLineOptions() should be ...


Mon, 17 May 2010 17:31:00 GMT Frederik Heber <heber@…> [a77976]
	* src/Actions/MapOfActions.cpp (modified)

	TESTFIX: testsuite looks for a very specific help message.

	- ...


Sat, 15 May 2010 17:56:57 GMT Frederik Heber <heber@…> [97ebf8]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (added)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (added)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (added)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (added)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (added)
	* src/Actions/AtomAction/AddAction.cpp (added)
	* src/Actions/AtomAction/AddAction.hpp (added)
	* src/Actions/AtomAction/ChangeElementAction.cpp (added)
	* src/Actions/AtomAction/ChangeElementAction.hpp (added)
	* src/Actions/AtomAction/RemoveAction.cpp (added)
	* src/Actions/AtomAction/RemoveAction.hpp (added)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (added)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (added)
	* src/Actions/CmdAction/ElementDbAction.cpp (added)
	* src/Actions/CmdAction/ElementDbAction.hpp (added)
	* src/Actions/CmdAction/FastParsingAction.cpp (added)
	* src/Actions/CmdAction/FastParsingAction.hpp (added)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (added)
	* src/Actions/CmdAction/VerboseAction.hpp (added)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (added)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (added)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (added)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (added)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (added)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (added)
	* src/Actions/MapOfActions.cpp (added)
	* src/Actions/MapOfActions.hpp (added)
	* src/Actions/MoleculeAction/BondFileAction.cpp (added)
	* src/Actions/MoleculeAction/BondFileAction.hpp (added)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (added)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (added)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (added)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (added)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (added)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (added)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (added)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (added)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (added)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (added)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (added)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (added)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (added)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (added)
	* src/Actions/MoleculeAction/TranslateAction.cpp (added)
	* src/Actions/MoleculeAction/TranslateAction.hpp (added)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (added)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (added)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (added)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (added)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (added)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (added)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (added)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (added)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (added)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (added)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (added)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (added)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (added)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (added)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (added)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (added)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (added)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (added)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (added)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (added)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (added)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (added)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (added)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (added)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (added)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/UIElements/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineWindow.cpp (modified)
	* src/UIElements/CommandLineWindow.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/unittests/MapofActionsTest.cpp (added)
	* src/unittests/MapofActionsTest.hpp (added)

	Added all commands defined in ParseCommandLineOptions() as Actions.
 ...


Fri, 14 May 2010 19:57:06 GMT Frederik Heber <heber@…> [498c519]
	* src/unittests/TestRunnerMain.cpp (modified)

	Merge remote branch 'bespin/FixTestRunnerClient' into ...


Fri, 14 May 2010 19:53:36 GMT Frederik Heber <heber@…> [cee0a17]
	* src/unittests/TestRunnerMain.cpp (modified)

	FIX: TestRunner is broken when TestRunnerClient.[h|cpp] can not be ...


Sun, 09 May 2010 12:00:08 GMT Frederik Heber <heber@…> [50dfda]
	* src/Actions/CmdAction/VersionAction.cpp (added)
	* src/Actions/CmdAction/VersionAction.hpp (added)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineWindow.cpp (modified)
	* src/UIElements/CommandLineWindow.hpp (modified)
	* src/builder.cpp (modified)

	Added VersionAction.

	- new CmdAction/VersionAction that prints the ...


Sun, 09 May 2010 11:59:35 GMT Frederik Heber <heber@…> [86466e]
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/UIElements/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUIFactory.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)

	new query class EmptyQuery for showing text messages.

	- new class ...


Sat, 08 May 2010 22:59:14 GMT Frederik Heber <heber@…> [148d8f0]
	* src/builder.cpp (modified)

	FIX: cleanup() still deleted configuration although is part of the ...


Sat, 08 May 2010 22:57:18 GMT Frederik Heber <heber@…> [bcd072]
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)

	FIX: wrong use of Singleton pattern for CommandLineParser.

	- we set ...


Sat, 08 May 2010 22:57:04 GMT Frederik Heber <heber@…> [d90762]
	* src/UIElements/CommandLineDialog.cpp (modified)

	Rewrote all CommandLineDialog's Query... to use the ...


Sat, 08 May 2010 22:51:22 GMT Frederik Heber <heber@…> [4380af]
	* src/UIElements/CommandLineWindow.cpp (modified)

	CommandLineWindow::display() goes through all Actions in ...