#
# ChangeLog for src/Parser/PdbParser.cpp
#
# Generated by Trac 1.6
# May 15, 2025, 8:18:25 AM

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 17:32:22 GMT Frederik Heber <heber@…> [93fd43e]
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)

	new function PdbParser::getadditionalAtomData() that also adds new ...


Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [1d02fe3]
	* src/Parser/PdbParser.cpp (modified)

	MEMFIX: PdbParser::readAtomDataLine() additionalAtomData entries ...


Thu, 16 Dec 2010 17:32:18 GMT Frederik Heber <heber@…> [16462f]
	* src/Parser/PdbAtomInfoContainer.cpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbKey.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* tests/regression/Simple_configuration/2/post/test.pdb (modified)

	PdbParser is now complete with respect to additionalAtomData.

	- ...


Mon, 06 Dec 2010 20:47:33 GMT Frederik Heber <heber@…> [4c1230]
	* src/Parser/PdbParser.cpp (modified)

	FIX: PdbParser::writeNeighbors() uses getAtomId not getSerial.

	- ...


Sun, 05 Dec 2010 00:01:43 GMT Frederik Heber <heber@…> [4fbca9c]
	* src/Parser/Makefile.am (modified)
	* src/Parser/PdbAtomInfoContainer.cpp (added)
	* src/Parser/PdbAtomInfoContainer.hpp (added)
	* src/Parser/PdbKey.hpp (added)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserCommonUnitTest.cpp (moved)
	* src/unittests/ParserCommonUnitTest.hpp (added)
	* src/unittests/ParserTremoloUnitTest.cpp (added)
	* src/unittests/ParserTremoloUnitTest.hpp (moved)

	PdbParser::save() fully working.

	- added UnitTest for PdbParser.
	- ...


Mon, 25 Oct 2010 14:36:18 GMT Frederik Heber <heber@…> [bd2390]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* tests/regression/Simple_configuration/2/post/test.pdb (modified)

	BUGFIX: new boost::filesystem led to non-parsing of files.

	- ...


Sat, 28 Aug 2010 00:57:56 GMT Frederik Heber <heber@…> [21585f]
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)

	Added getter/setter for PdbParser::atomIdMap().


Sat, 28 Aug 2010 00:57:56 GMT Frederik Heber <heber@…> [bb6193]
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* tests/regression/Simple_configuration/2/post/test.pdb (added)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Added PdbParser with save capability.

	- load does not yet work.
	- ...


Sat, 28 Aug 2010 00:57:56 GMT Frederik Heber <heber@…> [3ae731]
	* src/Parser/Makefile.am (modified)
	* src/Parser/PdbParser.cpp (added)
	* src/Parser/PdbParser.hpp (added)

	Added initial PdbParser.