#
# ChangeLog for src/Parser/TremoloParser.hpp
#
# Generated by Trac 1.4.4
# Dec 29, 2024, 7:35:26 AM

Wed, 12 Jul 2017 19:10:07 GMT Frederik Heber <frederik.heber@…> [33af20]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiple-timesteps.at (modified)

	TremoloParser::save() now supports multiple time steps.

	- TESTS: ...


Wed, 12 Jul 2017 19:10:07 GMT Frederik Heber <frederik.heber@…> [220d2c]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo/post/water_multipletimesteps.data (added)
	* tests/regression/Parser/Tremolo/post/water_multipletimesteps_fail.data (added)
	* tests/regression/Parser/Tremolo/pre/water_multipletimesteps.data (added)
	* tests/regression/Parser/Tremolo/pre/water_multipletimesteps_fail.data (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiple-timesteps.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	TremoloParser::load() can deal with multiple time steps.

	- TESTS: ...


Wed, 18 May 2016 22:03:03 GMT Frederik Heber <heber@…> [ed8a68]
	* src/Parser/Makefile.am (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/TremoloParser_ElementKeys.cpp (deleted)
	* src/Parser/TremoloParser_ElementKeys.hpp (deleted)
	* src/Parser/unittests/Makefile.am (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremolo_ElementKeysUnitTest.cpp (deleted)
	* src/Parser/unittests/ParserTremolo_ElementKeysUnitTest.hpp (deleted)

	Removed TremoloParser's ElementKeys, superceded by ParticleRegistry.


Wed, 18 May 2016 22:03:03 GMT Frederik Heber <heber@…> [4795cd]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	Extracted writeEntry() in TremoloParser::saveLine().


Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber <heber@…> [fac58f]
	* src/Fragmentation/Exporters/SaturatedFragment.cpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/FormatParserInterface.hpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/FormatParser_common.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XmlParser.cpp (modified)
	* src/Parser/XmlParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXmlUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/moleculelist.cpp (modified)

	Converted FormatParser::save() to using vector of const atom ptrs.
 ...


Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber <heber@…> [99db9b]
	* src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/DipoleCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.def (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (modified)
	* src/Actions/SelectionAction/Atoms/PopAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/PopAtomsAction.def (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified)
	* src/Actions/SelectionAction/Molecules/PopMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/PopMoleculesAction.def (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Analysis/analysis_correlation.hpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Shapes/ShapeFactory.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Replaced all World::getSelected...() to const version where possible. ...


Fri, 14 Dec 2012 13:02:50 GMT Frederik Heber <heber@…> [05e2ed]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo/pre/bio.data (added)
	* tests/regression/Parser/Tremolo/pre/bio.potentials (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-improper.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	FIX: TremoloParser did not load/save imprData or torsion correctly.
 ...


Mon, 18 Jun 2012 10:53:30 GMT Frederik Heber <heber@…> [ca331c]
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.def (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo-SetAtomdata/post/output.data (added)
	* tests/regression/Parser/Tremolo-SetAtomdata/post/undo.data (added)
	* tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-resetatomdata.at (added)
	* tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at (modified)
	* tests/regression/Parser/Tremolo/post/water-neighbors.data (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Added Undo/Redo capability to SetTremoloAtomdataAction.

	- ...


Mon, 18 Jun 2012 10:53:29 GMT Frederik Heber <heber@…> [27cfde]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	FIX: TremoloParser::makeUsedFieldsUnique() did not use given
	parameter.


Thu, 14 Jun 2012 09:02:58 GMT Frederik Heber <heber@…> [5a667d]
	* src/Parameters/Validators/Specific/AtomDataValidator.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)

	AtomDataValidator implemented, uses static ...


Fri, 06 Apr 2012 11:45:54 GMT Frederik Heber <heber@…> [23fd43]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)

	FIX: TremoloParser now contains usedFields_load and _save to allow ...


Fri, 06 Apr 2012 11:45:30 GMT Frederik Heber <heber@…> [531f27]
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp (added)
	* src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def (added)
	* src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.hpp (added)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo-Exttypes/post/test-right.exttypes (added)
	* tests/regression/Parser/Tremolo-Exttypes/post/test-wrong.exttypes (added)
	* tests/regression/Parser/Tremolo-Exttypes/pre/test.xyz (added)
	* tests/regression/Parser/Tremolo-Exttypes/testsuite-parser-tremolo-save-selected-atoms-as-exttypes.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Added SaveSelectedAtomsAsExtTypesAction that creates a tremolo- ...


Tue, 03 Apr 2012 07:58:43 GMT Frederik Heber <heber@…> [a275b3]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	TremoloParser uses ElementKeys.

	- functions parseKnownTypes() and ...


Fri, 17 Feb 2012 15:24:18 GMT Frederik Heber <heber@…> [9f8b01]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	FIX: TremoloParser::processNeighbors() always ran through all ...


Fri, 17 Feb 2012 15:24:17 GMT Frederik Heber <heber@…> [8bf9c6]
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	All additionalAtomData maps now have const atomId_t as key.


Fri, 06 Jan 2012 14:02:08 GMT Frederik Heber <heber@…> [c0e28c]
	* src/Parser/FormatParser_common.cpp (modified)
	* src/Parser/FormatParser_common.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc/post/doublewater.in (added)
	* tests/regression/Parser/Mpqc/pre/water.in (added)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load-multiply.at (added)
	* tests/regression/Parser/Pcp/post/doubletest.conf (added)
	* tests/regression/Parser/Pcp/post/doublewater.conf (added)
	* tests/regression/Parser/Pcp/pre/water.conf (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-load-multiply.at (added)
	* tests/regression/Parser/Pdb/post/doublewater.pdb (added)
	* tests/regression/Parser/Pdb/pre/water.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-load-multiply.at (added)
	* tests/regression/Parser/Psi3/post/doublewater.psi (added)
	* tests/regression/Parser/Psi3/pre/water.psi (added)
	* tests/regression/Parser/Psi3/testsuite-parser-psi3-load-multiply.at (added)
	* tests/regression/Parser/Tremolo/post/doublewater.data (added)
	* tests/regression/Parser/Tremolo/pre/water.data (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at (added)
	* tests/regression/Parser/Xyz/post/doublewater.xyz (added)
	* tests/regression/Parser/Xyz/pre/water.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-load-multiply.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	FIX: One could not load another pdb file due to local ids messing up. ...


Fri, 14 Oct 2011 15:15:30 GMT Frederik Heber <heber@…> [765f16]
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (modified)
	* src/Actions/ParserAction/SetMpqcParametersAction.cpp (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/FormatParserInterface.hpp (added)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/FormatParserTrait.hpp (added)
	* src/Parser/FormatParserTrait_specializations_header.hpp (added)
	* src/Parser/FormatParser_common.cpp (moved)
	* src/Parser/FormatParser_common.hpp (added)
	* src/Parser/FormatParser_specializations_header.hpp (added)
	* src/Parser/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/ParserTypes.cpp (added)
	* src/Parser/ParserTypes.def (added)
	* src/Parser/ParserTypes.hpp (modified)
	* src/Parser/ParserTypes.undef (added)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.hpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.hpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.hpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.hpp (modified)
	* src/moleculelist.cpp (modified)

	Huge Refactoring of FormatParserStorage and all FormatParser's.
 ...


Mon, 10 Oct 2011 14:27:06 GMT Frederik Heber <heber@…> [4151b0]
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.hpp (modified)

	FIX: Parser's dstor were not virtual despite inheritance.


Mon, 10 Oct 2011 14:27:05 GMT Frederik Heber <heber@…> [6bc86c]
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	Implemented specific AtomRemoved(),AtomInserted() for Pdb and Tremolo ...


Thu, 06 Oct 2011 09:15:04 GMT Frederik Heber <heber@…> [81c980b]
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (added)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.def (added)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.hpp (added)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo-SetAtomdata/post/argon.data (added)
	* tests/regression/Parser/Tremolo-SetAtomdata/pre/argon.data (added)
	* tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Added new action to set the ATOMDATA in tremolo's .data output file.
 ...


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 ...


Wed, 09 Feb 2011 17:25:13 GMT Frederik Heber <heber@…> [4d4d33]
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (added)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.def (added)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.hpp (added)
	* src/Parser/TremoloAtomInfoContainer.cpp (modified)
	* src/Parser/TremoloAtomInfoContainer.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)

	Added tremolo's potential file parsing, reported by Daniel Dueck.
 ...


Thu, 23 Dec 2010 17:40:13 GMT Frederik Heber <heber@…> [56f73b]
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.hpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (modified)
	* src/Actions/AtomAction/AddAction.hpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.hpp (modified)
	* src/Actions/AtomAction/TranslateAction.hpp (modified)
	* src/Actions/AtomsCalculation.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/CommandAction/BondLengthTableAction.hpp (modified)
	* src/Actions/CommandAction/ElementDbAction.hpp (modified)
	* src/Actions/CommandAction/FastParsingAction.hpp (modified)
	* src/Actions/CommandAction/HelpAction.hpp (modified)
	* src/Actions/CommandAction/VerboseAction.hpp (modified)
	* src/Actions/CommandAction/VersionAction.hpp (modified)
	* src/Actions/CommandAction/WarrantyAction.hpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/FragmentationAction/ConstructBondGraphAction.hpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/CopyAction.hpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)
	* src/Actions/MoleculeAction/LoadAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)
	* src/Actions/OptionRegistry.hpp (modified)
	* src/Actions/OptionTrait.hpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)
	* src/Actions/ValueStorage.hpp (modified)
	* src/Actions/Values.hpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (modified)
	* src/Actions/unittests/ActionRegistryUnitTest.hpp (modified)
	* src/Actions/unittests/ActionSequenceUnitTest.hpp (modified)
	* src/Actions/unittests/AtomsCalculationUnitTest.hpp (modified)
	* src/Actions/unittests/ManipulateAtomsUnitTest.hpp (modified)
	* src/AtomSet.hpp (modified)
	* src/AtomicInfo.hpp (modified)
	* src/BoundaryLineSet.hpp (modified)
	* src/BoundaryMaps.hpp (modified)
	* src/BoundaryPointSet.hpp (modified)
	* src/BoundaryPolygonSet.hpp (modified)
	* src/BoundaryTriangleSet.hpp (modified)
	* src/Box.hpp (modified)
	* src/CandidateForTesselation.hpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomOfMoleculeSelectionDescriptor.hpp (modified)
	* src/Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.hpp (modified)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomShapeDescriptor.hpp (modified)
	* src/Descriptors/AtomShapeDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* src/Descriptors/DescriptorBase.hpp (modified)
	* src/Descriptors/DescriptorBase_impl.hpp (modified)
	* src/Descriptors/MoleculeDescriptor.hpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeFormulaDescriptor.hpp (modified)
	* src/Descriptors/MoleculeFormulaDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeNameDescriptor.hpp (modified)
	* src/Descriptors/MoleculeNameDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeOfAtomSelectionDescriptor.hpp (modified)
	* src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeOrderDescriptor.hpp (modified)
	* src/Descriptors/MoleculeOrderDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.hpp (modified)
	* src/Descriptors/MoleculePtrDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/SelectiveIterator.hpp (modified)
	* src/Descriptors/SelectiveIterator_impl.hpp (modified)
	* src/Descriptors/unittests/AtomDescriptorUnitTest.hpp (modified)
	* src/Descriptors/unittests/MoleculeDescriptorUnitTest.hpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Exceptions/IllegalTypeException.hpp (modified)
	* src/Exceptions/LinearDependenceException.hpp (modified)
	* src/Exceptions/MathException.hpp (modified)
	* src/Exceptions/MissingValueException.hpp (modified)
	* src/Exceptions/MultipleSolutionsException.hpp (modified)
	* src/Exceptions/NotInvertibleException.hpp (modified)
	* src/Exceptions/NotOnSurfaceException.hpp (modified)
	* src/Exceptions/ParseError.hpp (modified)
	* src/Exceptions/ShapeException.hpp (modified)
	* src/Exceptions/SkewException.hpp (modified)
	* src/Exceptions/ZeroVectorException.hpp (modified)
	* src/Formula.hpp (modified)
	* src/Helpers/defs.hpp (modified)
	* src/Helpers/fast_functions.hpp (modified)
	* src/LinearAlgebra/BoxVector.hpp (modified)
	* src/LinearAlgebra/Eigenspace.hpp (modified)
	* src/LinearAlgebra/Line.hpp (modified)
	* src/LinearAlgebra/LineSegment.hpp (modified)
	* src/LinearAlgebra/LineSegmentSet.hpp (modified)
	* src/LinearAlgebra/MatrixContent.hpp (modified)
	* src/LinearAlgebra/MatrixVector_ops.hpp (modified)
	* src/LinearAlgebra/Plane.hpp (modified)
	* src/LinearAlgebra/RealSpaceMatrix.hpp (modified)
	* src/LinearAlgebra/Space.hpp (modified)
	* src/LinearAlgebra/Subspace.hpp (modified)
	* src/LinearAlgebra/VectorContent.hpp (modified)
	* src/LinearAlgebra/VectorInterface.hpp (modified)
	* src/LinearAlgebra/VectorSet.hpp (modified)
	* src/LinearAlgebra/unittests/LineUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/LinearSystemOfEquationsUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixContentSymmetricUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixContentUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/PlaneUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/VectorContentUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/VectorUnitTest.hpp (modified)
	* src/LinearAlgebra/vector_ops.hpp (modified)
	* src/Parser/ChangeTracker.hpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbKey.hpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloAtomInfoContainer.hpp (modified)
	* src/Parser/TremoloKey.hpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/ParserCommonUnitTest.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.hpp (modified)
	* src/PointCloud.hpp (modified)
	* src/Shapes/BaseShapes.hpp (modified)
	* src/Shapes/BaseShapes_impl.hpp (modified)
	* src/Shapes/Shape.hpp (modified)
	* src/Shapes/ShapeOps.hpp (modified)
	* src/Shapes/ShapeOps_impl.hpp (modified)
	* src/Shapes/Shape_impl.hpp (modified)
	* src/Shapes/unittests/ShapeUnitTest.hpp (modified)
	* src/SubspaceFactorizer.cpp (modified)
	* src/TesselPoint.hpp (modified)
	* src/Thermostats/Berendsen.hpp (modified)
	* src/Thermostats/GaussianThermostat.hpp (modified)
	* src/Thermostats/Langevin.hpp (modified)
	* src/Thermostats/NoThermostat.hpp (modified)
	* src/Thermostats/NoseHoover.hpp (modified)
	* src/Thermostats/Thermostat.hpp (modified)
	* src/Thermostats/Woodcock.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser_validate.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.hpp (modified)
	* src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.hpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/MainWindow.hpp (modified)
	* src/UIElements/Menu/Menu.hpp (modified)
	* src/UIElements/Menu/MenuDescription.hpp (modified)
	* src/UIElements/Menu/MenuInterface.hpp (modified)
	* src/UIElements/Menu/Qt4/QtMenu.hpp (modified)
	* src/UIElements/Menu/Qt4/QtMenuPipe.hpp (modified)
	* src/UIElements/Menu/TextMenu/ActionMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/DisplayMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/MenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/SeparatorMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/SubMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.hpp (modified)
	* src/UIElements/Menu/unittests/MenuDescriptionUnitTest.hpp (modified)
	* src/UIElements/Qt4/Pipe/AtomQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/BooleanQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/BoxQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/DoubleQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/ElementQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/EmptyQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/FileQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/IntQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/QtQueryListPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/QtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/StringQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/VectorQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/VectorsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/QtDialog.hpp (modified)
	* src/UIElements/Qt4/QtMainWindow.hpp (modified)
	* src/UIElements/Qt4/QtUIFactory.hpp (modified)
	* src/UIElements/Qt4/Query/QtQuery.hpp (modified)
	* src/UIElements/TextUI/Query/TextQuery.hpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextStatusIndicator.hpp (modified)
	* src/UIElements/TextUI/TextUIFactory.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/UIElements/Views/MethodStringView.hpp (modified)
	* src/UIElements/Views/Qt4/GLMoleculeView.hpp (modified)
	* src/UIElements/Views/Qt4/QtMoleculeView.hpp (modified)
	* src/UIElements/Views/Qt4/QtStatusBar.hpp (modified)
	* src/UIElements/Views/Qt4/QtWorldView.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/UIElements/Views/StringView.hpp (modified)
	* src/UIElements/Views/View.hpp (modified)
	* src/World_calculations.hpp (modified)
	* src/builder_init.hpp (modified)
	* src/datacreator.hpp (modified)
	* src/elements_db.hpp (modified)
	* src/lists.hpp (modified)
	* src/types.hpp (modified)
	* src/unittests/AnalysisBondsUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)
	* src/unittests/BondGraphUnitTest.hpp (modified)
	* src/unittests/BoxUnitTest.hpp (modified)
	* src/unittests/CountBondsUnitTest.hpp (modified)
	* src/unittests/DummyUI.hpp (modified)
	* src/unittests/FormulaUnitTest.hpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)
	* src/unittests/ListOfBondsUnitTest.hpp (modified)
	* src/unittests/PeriodentafelUnitTest.hpp (modified)
	* src/unittests/SubspaceFactorizerUnitTest.hpp (modified)
	* src/unittests/TesselationUnitTest.hpp (modified)
	* src/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified)
	* src/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified)
	* tests/CodeChecks/Makefile.am (modified)
	* tests/CodeChecks/testsuite-config_h.at (added)
	* tests/CodeChecks/testsuite-memdebug.at (added)
	* tests/CodeChecks/testsuite.at (modified)

	Added config.h also to all header files, code check test ascertain ...


Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [73916f]
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAction.def (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/unittests/ParserCommonUnitTest.cpp (modified)
	* src/unittests/ParserTremoloUnitTest.cpp (modified)

	Extended FormatParser::save() to use vector<atom *> to save.

	- This ...


Thu, 16 Dec 2010 17:27:54 GMT Frederik Heber <heber@…> [031e2c6]
	* src/Parser/Makefile.am (modified)
	* src/Parser/TremoloAtomInfoContainer.cpp (added)
	* src/Parser/TremoloAtomInfoContainer.hpp (added)
	* src/Parser/TremoloKey.hpp (added)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)

	Splitted off classes TremoloKey and TremoloAtomInfoContainer into own ...


Sat, 28 Aug 2010 00:58:44 GMT Frederik Heber <heber@…> [dc1d9e]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)

	Several bugfixes for TremoloParser.

	- overloaded readAtomDataLine ...


Mon, 21 Jun 2010 13:07:58 GMT Frederik Heber <heber@…> [a1e929]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)

	Case 'p' is now handled by CommandLineUI.

	- ~XyzParser() did ...


Sun, 02 May 2010 16:47:18 GMT Saskia Metzler <metzler@…> [b8d4a3]
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/bond.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)
	* src/unittests/SingletonTest.cpp (modified)

	Tremolo format parser


Thu, 01 Apr 2010 12:16:29 GMT Saskia Metzler <metzler@…> [4415da]
	* doc/Doxyfile (modified)
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.cpp (added)
	* src/Actions/ActionHistory.hpp (added)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/small_actions.cpp (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* src/Descriptors/DescriptorBase.hpp (added)
	* src/Descriptors/DescriptorBase_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.hpp (modified)
	* src/Descriptors/SelectiveIterator.hpp (added)
	* src/Descriptors/SelectiveIterator_impl.hpp (added)
	* src/Helpers/Assert.cpp (added)
	* src/Helpers/Assert.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Menu/ActionMenuItem.cpp (modified)
	* src/Menu/ActionMenuItem.hpp (modified)
	* src/Menu/MenuItem.cpp (modified)
	* src/Menu/MenuItem.hpp (modified)
	* src/Menu/TextMenu.cpp (modified)
	* src/Menu/TextMenu.hpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Patterns/Singleton.hpp (added)
	* src/Patterns/Singleton_impl.hpp (added)
	* 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/UIElements/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/WorldIterators.cpp (deleted)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_atominfo.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/element.hpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/log.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/types.hpp (added)
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (modified)
	* src/unittests/AtomDescriptorTest.hpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (modified)
	* src/unittests/MoleculeDescriptorTest.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/SingletonTest.cpp (added)
	* src/unittests/SingletonTest.hpp (added)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/atomsCalculationTest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Merge Till's structure refactoring

	Merge commit ...


Tue, 30 Mar 2010 13:22:20 GMT Saskia Metzler <metzler@…> [9131f3]
	* src/Makefile.am (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)

	WIP tremolo parser


Fri, 05 Mar 2010 13:45:35 GMT Saskia Metzler <metzler@…> [cb2146]
	* src/Descriptors/MoleculeIdDescriptor.cpp (added)
	* src/Descriptors/MoleculeIdDescriptor.hpp (added)
	* src/Descriptors/MoleculeIdDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/unittests/AtomDescriptorTest.cpp (moved)
	* src/unittests/AtomDescriptorTest.hpp (moved)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MoleculeDescriptorTest.cpp (added)
	* src/unittests/MoleculeDescriptorTest.hpp (added)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	solve merge conflict

	Merge commit 'till/StructureRefactoring' into ...


Fri, 05 Mar 2010 13:33:45 GMT Saskia Metzler <metzler@…> [7dc102]
	* src/Parser/TremoloParser.hpp (modified)

	WIP


Fri, 05 Mar 2010 12:53:13 GMT Saskia Metzler <metzler@…> [ab4b55]
	* src/FormatParser.cpp (deleted)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (deleted)
	* src/Matrix.hpp (deleted)
	* src/Parser/ChangeTracker.cpp (moved)
	* src/Parser/ChangeTracker.hpp (moved)
	* src/Parser/FormatParser.cpp (added)
	* src/Parser/FormatParser.hpp (moved)
	* src/Parser/TremoloParser.cpp (moved)
	* src/Parser/TremoloParser.hpp (moved)
	* src/Parser/XyzParser.cpp (added)
	* src/Parser/XyzParser.hpp (added)
	* src/XyzParser.cpp (deleted)
	* src/XyzParser.hpp (deleted)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MatrixUnitTest.cpp (deleted)
	* src/unittests/MatrixUnitTest.hpp (deleted)
	* src/unittests/ParserUnitTest.cpp (added)
	* src/unittests/ParserUnitTest.hpp (added)

	the XYZ parser