#
# ChangeLog for tests/regression/Filling
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# Generated by Trac 1.4.4
# Dec 28, 2024, 10:44:38 PM

Mon, 18 Apr 2011 12:45:06 GMT Frederik Heber <heber@…> [305e7e]
	* src/Parser/TremoloAtomInfoContainer.cpp (modified)
	* src/Parser/TremoloAtomInfoContainer.hpp (modified)
	* src/Parser/TremoloKey.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* tests/regression/Atoms/Add/post/test.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/post/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/water.data (modified)
	* tests/regression/Molecules/Copy/post/tensid.data (modified)
	* tests/regression/Molecules/Copy/pre/tensid.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/post/argon.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/post/test.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/pre/argon.data (modified)
	* tests/regression/Parser/Tremolo/post/argon.data (modified)
	* tests/regression/Parser/Tremolo/post/test.data (modified)
	* tests/regression/Parser/Tremolo/pre/argon.data (modified)
	* tests/regression/Parser/Tremolo/pre/test.data (modified)

	FIX: Type is actually spelled type with TREMOLO.

	- corrected in ...


Fri, 11 Feb 2011 21:37:26 GMT Frederik Heber <heber@…> [7a51be]
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/water.data (modified)
	* tests/regression/Filling/FillWithMolecule/post/empty.xyz (added)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (modified)

	new function FormatParserStorage::get to obtain specialized ...


Fri, 04 Feb 2011 19:00:02 GMT Frederik Heber <heber@…> [08e6c8]
	* tests/regression/Filling/FillVoidWithMolecule/post/empty.xyz (moved)
	* tests/regression/Filling/FillVoidWithMolecule/post/tensid.data (moved)
	* tests/regression/Filling/FillVoidWithMolecule/post/test.conf (moved)
	* tests/regression/Filling/FillVoidWithMolecule/post/test.xyz (moved)
	* tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data (moved)
	* tests/regression/Filling/FillVoidWithMolecule/pre/test.conf (moved)
	* tests/regression/Filling/FillVoidWithMolecule/pre/water.data (moved)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (moved)
	* tests/regression/Filling/FillWithMolecule/post/test.conf (moved)
	* tests/regression/Filling/FillWithMolecule/pre/test.conf (moved)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (moved)
	* tests/regression/Filling/SuspendInWater/pre/test.conf (moved)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (added)
	* tests/regression/Filling/testsuite-filling.at (modified)
	* tests/regression/Filling/testsuite-suspend-in-water.at (deleted)
	* tests/regression/Makefile.am (modified)

	Changed regression testsuite structure of Filling.

	- all numbered ...


Thu, 03 Feb 2011 09:51:18 GMT Frederik Heber <heber@…> [9df680]
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* tests/regression/Filling/3/post/tensid.data (modified)
	* tests/regression/Filling/3/post/test.xyz (modified)

	FIX: FillVoidWithMolecule() now centers filler molecule at its center ...


Thu, 03 Feb 2011 09:51:18 GMT Frederik Heber <heber@…> [d6f886]
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified)
	* tests/regression/Filling/testsuite-fill-void-with-molecule.at (moved)
	* tests/regression/Filling/testsuite-fill-with-molecule.at (added)
	* tests/regression/Filling/testsuite-filling.at (added)
	* tests/regression/Filling/testsuite-suspend-in-water.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite.at (modified)

	changed stupid --lengths parameter of fill...-with-molecule into ...


Thu, 03 Feb 2011 09:51:18 GMT Frederik Heber <heber@…> [66fd49]
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified)
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/LinearAlgebra/RealSpaceMatrix.cpp (modified)
	* src/LinearAlgebra/RealSpaceMatrix.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* tests/regression/Filling/3/post/empty.xyz (added)
	* tests/regression/Filling/3/post/tensid.data (modified)
	* tests/regression/Filling/3/post/test.xyz (modified)
	* tests/regression/testsuite-filling.at (modified)

	Rewrite of FillVoidWithMoleculeAction.

	FillVoidWithMoleculeAction: ...


Sat, 28 Aug 2010 06:08:52 GMT Frederik Heber <heber@…> [eee966]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (added)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (added)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.hpp (added)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* tests/regression/Filling/3/post/tensid.data (added)
	* tests/regression/Filling/3/post/test.conf (added)
	* tests/regression/Filling/3/post/test.xyz (added)
	* tests/regression/Filling/3/pre/tensid.data (added)
	* tests/regression/Filling/3/pre/test.conf (added)
	* tests/regression/Filling/3/pre/water.data (added)
	* tests/regression/testsuite-filling.at (modified)

	New Action FillVoidWithMoleculeAction.

	- in contrast to ...


Wed, 23 Jun 2010 15:52:50 GMT Frederik Heber <heber@…> [35b698]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* tests/regression/Domain/6/post/test-x.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-y.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-z.conf.xyz (modified)
	* tests/regression/Domain/6/post/test.conf.xyz (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	BIG CHANGE: config::load and config::save in ...


Sat, 19 Jun 2010 15:54:47 GMT Frederik Heber <heber@…> [274d45]
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/orbitals.db (modified)
	* src/periodentafel.cpp (modified)
	* src/valence.db (modified)
	* tests/regression/Domain/2/post/test.conf (modified)
	* tests/regression/Domain/3/post/test.conf (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Filling/1/pre/test.conf (modified)
	* tests/regression/Molecules/6/post/test.conf (modified)
	* tests/regression/Molecules/6/pre/test.conf (modified)
	* tests/regression/Molecules/7/post/test.conf (modified)
	* tests/regression/Molecules/7/pre/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf (modified)
	* tests/regression/Simple_configuration/3/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	FIX: Atoms were stored not in the sequence they were loaded.

	1. The ...


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: ...


Sun, 30 May 2010 19:05:43 GMT Frederik Heber <heber@…> [746c57]
	* tests/regression/Filling/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-u' (suspend in water) to testsuite.

	- this is broken ...


Sun, 30 May 2010 14:46:39 GMT Frederik Heber <heber@…> [1325ba]
	* tests/regression/Filling/1/post/test.conf (added)
	* tests/regression/Filling/1/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-F' (filling with molecule) to testsuite.