#
# ChangeLog for src
#
# Generated by Trac 1.6
# Dec 1, 2025, 7:12:51 PM

Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger <crueger@…> [1ca488f]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/info.cpp (added)
	* src/info.hpp (added)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/infounittest.cpp (added)
	* src/unittests/infounittest.hpp (added)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (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 commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
 ...


Thu, 14 Jan 2010 13:49:42 GMT Tillmann Crueger <crueger@…> [8927ae]
	* src/menu.cpp (modified)

	Made embeddMolecules menu-point use the new dialog framework


Wed, 13 Jan 2010 11:05:17 GMT Tillmann Crueger <crueger@…> [29a4cc]
	* src/menu.cpp (modified)

	Used new Query Infrastructure for SimpleAdd menupoint


Wed, 13 Jan 2010 11:05:02 GMT Tillmann Crueger <crueger@…> [7aa000]
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)

	Added infrastructure to query molecules from MoleculeList


Wed, 13 Jan 2010 10:22:29 GMT Tillmann Crueger <crueger@…> [45f5d6]
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)
	* src/builder.cpp (modified)

	Changed dialog structure to  use objects for queries.


Mon, 11 Jan 2010 10:40:20 GMT Tillmann Crueger <crueger@…> [aab2b1]
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Removed some unessecary methods from oldMenu


Sat, 09 Jan 2010 11:30:49 GMT Tillmann Crueger <crueger@…> [12b845]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/UIElements/MainWindow.hpp (modified)
	* src/UIElements/TextUIFactory.cpp (modified)
	* src/UIElements/TextUIFactory.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Seperated building of mainWindow and contained Menus

	- Moved code ...


Thu, 07 Jan 2010 14:46:34 GMT Tillmann Crueger <crueger@…> [cc04b7]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionRegistry.cpp (added)
	* src/Actions/ActionRegistry.hpp (added)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/TextUIFactory.cpp (modified)
	* src/UIElements/TextUIFactory.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Added a central registry that allows access to actions by name.


Thu, 07 Jan 2010 13:24:06 GMT Tillmann Crueger <crueger@…> [a56275]
	* src/UIElements/MainWindow.cpp (added)
	* src/UIElements/MainWindow.hpp (added)
	* src/UIElements/TextWindow.cpp (added)
	* src/UIElements/TextWindow.hpp (added)

	Added support for creating a main window using the UIFactory.


Tue, 05 Jan 2010 15:34:52 GMT Tillmann Crueger <crueger@…> [f5a86a]
	* src/Makefile.am (modified)
	* src/UIElements/Dialog.cpp (added)
	* src/UIElements/Dialog.hpp (added)
	* src/UIElements/TextDialog.cpp (added)
	* src/UIElements/TextDialog.hpp (added)
	* src/UIElements/TextUIFactory.cpp (added)
	* src/UIElements/TextUIFactory.hpp (added)
	* src/UIElements/UIFactory.cpp (added)
	* src/UIElements/UIFactory.hpp (added)

	Added Basis for creating globally accessible and compatible ...


Tue, 05 Jan 2010 13:48:05 GMT Tillmann Crueger <crueger@…> [3e026a]
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/menu.cpp (modified)

	Transitioned MergeMolecule Menu to new menu structure


Tue, 05 Jan 2010 10:11:52 GMT Tillmann Crueger <crueger@…> [820a42]
	* src/Actions/ErrorAction.cpp (added)
	* src/Actions/ErrorAction.hpp (added)
	* src/Makefile.am (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Extracted all methods from MergeMolecules Menu

	- Added new action ...


Tue, 05 Jan 2010 09:23:25 GMT Tillmann Crueger <crueger@…> [235bed]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Moved saveConfig method from oldmenu to a method inside config class


Sat, 02 Jan 2010 15:53:39 GMT Tillmann Crueger <crueger@…> [6b932c7]
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Removed unecessary method stubs from oldmenu class


Sat, 02 Jan 2010 15:49:40 GMT Tillmann Crueger <crueger@…> [477bb2]
	* src/menu.cpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Moved several Methods from Menu to MoleculeListClass


Sat, 02 Jan 2010 15:28:29 GMT Tillmann Crueger <crueger@…> [096214]
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Made EditMoleculesMenu a Submenu inside the MainMenu


Sat, 02 Jan 2010 15:18:00 GMT Tillmann Crueger <crueger@…> [7c6f73]
	* src/Menu/TextMenu.cpp (modified)
	* src/menu.cpp (modified)

	Transitioned EditMoleculesMenu to new menu structure


Tue, 29 Dec 2009 12:56:55 GMT Tillmann Crueger <crueger@…> [1020f0]
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Extracted several methods from the EditMolecules Submenu.


Tue, 29 Dec 2009 12:20:20 GMT Tillmann Crueger <crueger@…> [8f113e]
	* src/Menu/DisplayMenuItem.cpp (modified)
	* src/Menu/DisplayMenuItem.hpp (modified)
	* src/Menu/MenuItem.cpp (modified)
	* src/Menu/MenuItem.hpp (modified)
	* src/Menu/SeperatorItem.cpp (modified)
	* src/Menu/SeperatorItem.hpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Menu/TextMenu.hpp (modified)

	Added possibility to add default Items to textMenus


Tue, 29 Dec 2009 11:57:09 GMT Tillmann Crueger <crueger@…> [77675f]
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Moved flipChosen method from oldmenu to MoleculeListClass


Tue, 29 Dec 2009 11:47:57 GMT Tillmann Crueger <crueger@…> [0229f9]
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/ActionSequenceTest.hpp (modified)

	Added more tests for Actionsequence

	- Test if every included object ...


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 ...


Thu, 17 Dec 2009 16:56:06 GMT Tillmann Crueger <crueger@…> [147339]
	* src/unittests/ActionSequenceTest.cpp (added)
	* src/unittests/ActionSequenceTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	Added unittest for ActionSequence.


Thu, 17 Dec 2009 14:40:16 GMT Tillmann Crueger <crueger@…> [898ae8]
	* src/menu.cpp (modified)

	Removed legacy code from old menu structure.


Thu, 17 Dec 2009 14:38:29 GMT Tillmann Crueger <crueger@…> [1fa107]
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/MakroAction.cpp (added)
	* src/Actions/MakroAction.hpp (added)
	* src/Makefile.am (modified)
	* src/menu.cpp (modified)

	Added an action that allows grouping and grouped execution of several ...


Thu, 17 Dec 2009 14:21:47 GMT Tillmann Crueger <crueger@…> [a5041ec]
	* src/Actions/ActionSequence.cpp (added)
	* src/Actions/ActionSequence.hpp (added)
	* src/Makefile.am (modified)

	Added mechanism that allow to store and later execute sequences of ...


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 14:40:09 GMT Tillmann Crueger <crueger@…> [ef81b0]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Menu/ActionMenuItem.hpp (modified)
	* src/Menu/DisplayMenuItem.hpp (modified)
	* src/Menu/Menu.hpp (modified)
	* src/Menu/MenuItem.cpp (modified)
	* src/Menu/MenuItem.hpp (modified)
	* src/Menu/SeperatorItem.hpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Menu/TextMenu.hpp (modified)
	* src/Views/MethodStringView.hpp (modified)
	* src/Views/StreamStringView.hpp (modified)
	* src/Views/StringView.hpp (modified)
	* src/Views/View.hpp (modified)

	Improved documentation for menu framework.


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [c96731]
	* src/Menu/MenuItem.cpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Finished transformation of main menu. Signed-off-by: Tillmann Crueger ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [165d7d]
	* src/Menu/SubMenuItem.cpp (modified)
	* src/Menu/SubMenuItem.hpp (modified)

	Rebuilt SubMenuItem to use inclusion (Strategy pattern) instead of ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [c68025]
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)

	Added method to flip ActiveFlag for single molecules. Signed-off-by: ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [835a0f]
	* src/Menu/DisplayMenuItem.cpp (modified)
	* src/Menu/DisplayMenuItem.hpp (modified)
	* src/menu.cpp (modified)
	* src/moleculelist.cpp (modified)

	Added Title to DisplayMenuItems. Signed-off-by: Tillmann Crueger ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [a306a2]
	* src/menu.cpp (modified)

	Small fix to delete the complete menu.

	Signed-off-by: Tillmann ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [9d8609]
	* src/Makefile.am (modified)
	* src/Menu/DisplayMenuItem.cpp (added)
	* src/Menu/DisplayMenuItem.hpp (added)
	* src/Views/MethodStringView.cpp (added)
	* src/Views/MethodStringView.hpp (added)
	* src/Views/StreamStringView.cpp (added)
	* src/Views/StreamStringView.hpp (added)
	* src/Views/StringView.cpp (added)
	* src/Views/StringView.hpp (added)
	* src/Views/View.cpp (added)
	* src/Views/View.hpp (added)
	* src/menu.cpp (modified)

	Added basic View functionality. - Added DisplayMenuItem to show ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [5b9bba]
	* src/Menu/MenuItem.cpp (modified)
	* src/Menu/MenuItem.hpp (modified)
	* src/Menu/SeperatorItem.cpp (modified)
	* src/Menu/SeperatorItem.hpp (modified)
	* src/Menu/SubMenuItem.cpp (modified)
	* src/Menu/SubMenuItem.hpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Menu/TextMenu.hpp (modified)
	* src/defs.hpp (modified)

	Changed formating of menus and added protection to keep MenuItems ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [f767d4]
	* src/Menu/TextMenu.cpp (modified)

	Fixed memory leak in TextMenu Signed-off-by: Tillmann Crueger ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [21c246]
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Rebuild the main menu using the new structure as far as possible. ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [65b6e0]
	* src/Actions/Action.cpp (added)
	* src/Actions/Action.hpp (added)
	* src/Actions/MethodAction.cpp (added)
	* src/Actions/MethodAction.hpp (added)
	* src/Makefile.am (modified)
	* src/Menu/ActionMenuItem.cpp (added)
	* src/Menu/ActionMenuItem.hpp (added)
	* src/Menu/Menu.cpp (added)
	* src/Menu/Menu.hpp (added)
	* src/Menu/MenuItem.cpp (added)
	* src/Menu/MenuItem.hpp (added)
	* src/Menu/SeperatorItem.cpp (added)
	* src/Menu/SeperatorItem.hpp (added)
	* src/Menu/SubMenuItem.cpp (added)
	* src/Menu/SubMenuItem.hpp (added)
	* src/Menu/TextMenu.cpp (added)
	* src/Menu/TextMenu.hpp (added)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Added basic menu and action framework

	- Added action base class
	- ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [992a54]
	* src/menu.cpp (modified)

	Minor changes to menu::SaveConfig() Signed-off-by: Tillmann Crueger ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [85bc8e]
	* doc/Doxyfile (modified)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (added)
	* src/menu.hpp (added)

	Started refactoring of the menu. - Created new menu class - moved all ...


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 ...


Wed, 25 Nov 2009 15:28:39 GMT Frederik Heber <heber@…> [8725ed]
	* src/Makefile.am (modified)
	* src/info.cpp (added)
	* src/info.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/infounittest.cpp (added)
	* src/unittests/infounittest.hpp (added)
	* src/verbose.cpp (modified)

	New Info class that contains a global verbosity level, increased per ...


Wed, 25 Nov 2009 12:18:18 GMT Frederik Heber <heber@…> [1e168b]
	* src/boundary.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Now the best (in terms of ShortestAngle) baseline is picked among all ...


Tue, 24 Nov 2009 15:48:36 GMT Frederik Heber <heber@…> [791138]
	* src/atom_bondedparticle.cpp (modified)

	BUGFIX atom::CorrectBonDegree() wrongly increased bond degrees.

	- ...


Tue, 24 Nov 2009 15:34:49 GMT Frederik Heber <heber@…> [6a7f78c]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified)

	Fixes and naming of final Tecplot output file is now molecule name.
 ...


Mon, 23 Nov 2009 19:09:42 GMT Frederik Heber <heber@…> [c5f836]
	* src/config.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/tesselationhelpers.cpp (modified)

	bugfix to errorLogger and some error verbosity changes.

	- BUGFIX: ...


Mon, 23 Nov 2009 18:51:50 GMT Frederik Heber <heber@…> [e359a8]
	* src/analysis_correlation.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.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/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Fixing ticket #18.

	- each eLog() << Verbose(0) is now followed by ...


Mon, 23 Nov 2009 18:22:33 GMT Frederik Heber <heber@…> [717e0c]
	* src/analyzer.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_trajectoryparticle.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/linkedcell.cpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.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/vector.cpp (modified)

	Verbosity corrected for ERROR and WARNING

	- present ERROR and ...


Tue, 10 Nov 2009 20:59:00 GMT Frederik Heber <heber@…> [f1ef60a]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Attempt to fix tesselation for case 1_2-dimethylbenzene.

	- The ...


Tue, 10 Nov 2009 20:58:31 GMT Frederik Heber <heber@…> [9a0dc8]
	* src/builder.cpp (modified)

	Only biggest molecule is tesselated for now in ...


Tue, 10 Nov 2009 20:53:33 GMT Frederik Heber <heber@…> [89f768]
	* src/errorlogger.cpp (modified)
	* src/logger.cpp (modified)
	* src/verbose.hpp (modified)

	BUGFIX: Output is again indented, errorLogger prefixes according to ...


Sat, 07 Nov 2009 12:27:15 GMT Frederik Heber <heber@…> [9a7186]
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/bondgraphunittest.hpp (modified)

	BUGFIX: unnecessary include in header, file not closed in definition ...


Sat, 07 Nov 2009 12:25:32 GMT Frederik Heber <heber@…> [220cf37]
	* src/analysis_bonds.cpp (modified)
	* src/analysis_bonds.hpp (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/analysisbondsunittest.hpp (modified)

	Two new bond analysis functions.

	- GetMaxMinMeanBondCount() - ...


Sat, 07 Nov 2009 12:17:55 GMT Frederik Heber <heber@…> [b9947d]
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)

	New function bond::GetDistance...()

	- bond::GetDistance() and ...


Sat, 07 Nov 2009 12:16:57 GMT Frederik Heber <heber@…> [568be7]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Added config::SavePDB() and config::SaveMPQC().

	- note: for CODICE ...


Sat, 07 Nov 2009 09:46:08 GMT Frederik Heber <heber@…> [96c961]
	* src/Makefile.am (modified)
	* src/analysis_bonds.cpp (added)
	* src/analysis_bonds.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (added)
	* src/unittests/analysisbondsunittest.hpp (added)

	Added initial analysis_bonds.cpp and unit test for Analysis of bonds. ...


Sat, 07 Nov 2009 09:44:11 GMT Frederik Heber <heber@…> [7f4bee]
	* src/boundary.cpp (modified)

	LEAKFIX: FillBoxWithMolecule() had mismatch delete/delete[]

	- ...


Thu, 05 Nov 2009 18:14:08 GMT Frederik Heber <heber@…> [1614174]
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)

	LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have ...


Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber <heber@…> [e138de]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_graphnode.hpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/element.cpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/errorlogger.cpp (moved)
	* src/errorlogger.hpp (moved)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/log.hpp (modified)
	* src/logger.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (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/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/test/ActOnAlltest.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)

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

	- first shift ...


Wed, 04 Nov 2009 18:25:42 GMT Frederik Heber <heber@…> [7326b2]
	* src/Makefile.am (modified)
	* src/errorLogger.cpp (added)
	* src/errorLogger.hpp (added)
	* src/log.cpp (added)
	* src/log.hpp (added)
	* src/logger.cpp (added)
	* src/logger.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/logunittest.cpp (added)
	* src/unittests/logunittest.hpp (added)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)

	Merge branch 'CodeRefactoring' of ...


Wed, 04 Nov 2009 18:15:10 GMT Frederik Heber <heber@…> [7ea9e6]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/vector.cpp (modified)

	Periodic variants of AnalysisPair...() implemented.

	- BUGFIX: ...


Wed, 04 Nov 2009 17:34:05 GMT Frederik Heber <heber@…> [99593f]
	* src/analysis_correlation.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Extension to the periodic boundary case for analysis_correlation.cpp
 ...


Wed, 04 Nov 2009 15:08:11 GMT Frederik Heber <heber@…> [c9bce3e]
	* src/config.cpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	config::Load() refactored: Dissection into connected subgraphs -> ...


Wed, 04 Nov 2009 14:54:31 GMT Frederik Heber <heber@…> [a5551b]
	* 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)

	Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass ...


Wed, 04 Nov 2009 14:51:02 GMT Frederik Heber <heber@…> [eecd33]
	* src/config.cpp (modified)

	BUGFIX: Allocated one molecule too much in config::Load().

	- ...


Wed, 04 Nov 2009 12:57:24 GMT Frederik Heber <heber@…> [f4e1f5]
	* src/builder.cpp (modified)

	Closing ticket #47, case 'C' uses biggest molecule as surface for ...


Tue, 03 Nov 2009 16:34:31 GMT Frederik Heber <heber@…> [3c349b]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* 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@…> [ae38fb]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

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


Tue, 03 Nov 2009 12:38:08 GMT Frederik Heber <heber@…> [2aeefd]
	* src/unittests/Makefile.am (modified)

	Removed libmolecuilder linking from unit tests where only some few ...


Tue, 03 Nov 2009 12:37:55 GMT Frederik Heber <heber@…> [7218f8]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (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/stackclass.hpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)

	Several memory bugfixes (thx valgrind).

	- main() - shortened case ...


Mon, 02 Nov 2009 12:50:57 GMT Frederik Heber <heber@…> [fa649a]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Small changes.

	- VolumeOfConvexEnvelope() - setprecision corrected ...


Fri, 30 Oct 2009 16:09:29 GMT Frederik Heber <heber@…> [34e0013]
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* 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@…> [b21a64]
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)

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

	- ...


Fri, 30 Oct 2009 11:04:50 GMT Saskia Metzler <metzler@…> [06c7a3]
	* src/errorLogger.cpp (added)
	* src/errorLogger.hpp (added)
	* src/log.cpp (added)
	* src/log.hpp (added)
	* src/logger.cpp (added)
	* src/logger.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/logunittest.cpp (added)
	* src/unittests/logunittest.hpp (added)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)

	Ticket 43 Create a logging class

	The verbosity level can now be ...


Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber <heber@…> [b70721]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/bondgraph.cpp (added)
	* src/bondgraph.hpp (added)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (added)
	* src/unittests/bondgraphunittest.hpp (added)

	New class BondGraph.

	- BondGraph parses a file containing bond ...


Fri, 30 Oct 2009 08:29:31 GMT Frederik Heber <heber@…> [46ea3b]
	* src/test/ActOnAlltest.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActOnAllUnitTest.hpp (modified)
	* src/unittests/Makefile.am (modified)

	Test code is moved to its own source subdirectory: test.

	- ...


Fri, 30 Oct 2009 08:29:07 GMT Frederik Heber <heber@…> [8c5327]
	* src/test/ActOnAlltest.hpp (moved)
	* src/unittests/stackclassunittest.cpp (added)
	* src/unittests/stackclassunittest.hpp (added)

	Added Unit test for StackClass.

	- was former ...


Thu, 29 Oct 2009 10:09:05 GMT Frederik Heber <heber@…> [d96277]
	* src/stackclass.hpp (modified)
	* src/unittests/Makefile.am (modified)

	Refactored StackClass with respect to tickets #38, #4.

	- #38 make ...


Tue, 27 Oct 2009 17:41:12 GMT Frederik Heber <heber@…> [c0f6c6]
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)

	Refactored tesselationhelpers.cpp with respect to ticket #38 (make ...


Tue, 27 Oct 2009 17:16:31 GMT Frederik Heber <heber@…> [fb73b8]
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/vector.hpp (modified)

	class config, ConfigFileBuffer, periodentafel and Vector are ...


Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber <heber@…> [776b64]
	* configure.ac (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Huge refactoring to make const what is const (ticket #38), continued. ...


Tue, 27 Oct 2009 11:51:52 GMT Frederik Heber <heber@…> [ad37ab]
	* src/analyzer.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecule.hpp (modified)

	analyzer.cpp and boundary.cpp refactored.

	- ticket #39 is done with ...


Tue, 27 Oct 2009 11:45:23 GMT Frederik Heber <heber@…> [70ff32]
	* src/atom.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)

	Begun with ticket #4 (shorten constructors) on class atom and class ...


Tue, 27 Oct 2009 08:54:44 GMT Frederik Heber <heber@…> [b453f9]
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/atom_trajectoryparticle.hpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_template.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Begun with ticket #38 (make const what is const).

	- basically all ...


Tue, 27 Oct 2009 08:53:25 GMT Frederik Heber <heber@…> [831a14]
	* src/unittests/Makefile.am (modified)

	..._CPPFLAGS and ..._LDFLAGS in unittests/Makefile.am put into global ...


Tue, 20 Oct 2009 08:55:17 GMT Frederik Heber <heber@…> [6b919f8]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (added)
	* src/atom_atominfo.hpp (added)
	* src/atom_bondedparticle.cpp (added)
	* src/atom_bondedparticle.hpp (added)
	* src/atom_bondedparticleinfo.cpp (added)
	* src/atom_bondedparticleinfo.hpp (added)
	* src/atom_graphnode.cpp (added)
	* src/atom_graphnode.hpp (added)
	* src/atom_graphnodeinfo.cpp (added)
	* src/atom_graphnodeinfo.hpp (added)
	* src/atom_particleinfo.cpp (added)
	* src/atom_particleinfo.hpp (added)
	* src/atom_trajectoryparticle.cpp (added)
	* src/atom_trajectoryparticle.hpp (added)
	* src/atom_trajectoryparticleinfo.cpp (added)
	* src/atom_trajectoryparticleinfo.hpp (added)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Refactored atom.cpp into multiple files.

	After the class atom was ...