# # ChangeLog for src/Formula.cpp # # Generated by Trac 1.6 # Jun 25, 2025, 12:15:31 PM Fri, 06 Aug 2010 14:01:13 GMT Tillmann Crueger [e5c0a1] * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/Formula.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/QT4/QTDialog.cpp (modified) * src/UIElements/QT4/QTDialog.hpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified) * src/unittests/periodentafelTest.cpp (modified) * src/unittests/periodentafelTest.hpp (modified) Made the periodentafel return only "const element *" instead of ... Fri, 06 Aug 2010 12:13:51 GMT Tillmann Crueger [2fe971] * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Formula.cpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Parser/XyzParser.cpp (modified) * src/UIElements/QT4/QTDialog.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/config.cpp (modified) * src/element.hpp (modified) * src/molecule.cpp (modified) * src/periodentafel.cpp (modified) Made fields name and symbol of element class private Thu, 05 Aug 2010 14:45:59 GMT Tillmann Crueger [426f2a] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Added a method to enumerate formulas Thu, 05 Aug 2010 14:45:59 GMT Tillmann Crueger [d36ffb] * src/Formula.cpp (modified) * src/element.cpp (modified) * src/element.hpp (modified) Removed unused field No in element class Thu, 05 Aug 2010 11:10:03 GMT Tillmann Crueger [38e075] * src/Formula.cpp (modified) * src/unittests/FormulaUnittest.cpp (modified) Added one more error condition for formula parsing Thu, 05 Aug 2010 10:46:06 GMT Tillmann Crueger [4d1d43] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Improved formula parsing to include more complex expressions Thu, 05 Aug 2010 09:51:03 GMT Tillmann Crueger [9d5803] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Added a method that allows adding complete formulas to one another Thu, 22 Jul 2010 14:07:55 GMT Tillmann Crueger [ee86a0] * src/Formula.cpp (modified) Simplyfied formula parsing using range objects Thu, 22 Jul 2010 11:23:28 GMT Tillmann Crueger [c83b98] * src/Formula.cpp (modified) Made the instantiation of Formula::iterator and ... Thu, 22 Jul 2010 11:11:40 GMT Tillmann Crueger [d8a0ec] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Made the Formula array resize itself in both directions - resizing ... Wed, 21 Jul 2010 15:47:47 GMT Tillmann Crueger [fefe0d] * src/Formula.cpp (modified) FIX: Bug with vector resizing in Formula Wed, 21 Jul 2010 15:25:04 GMT Tillmann Crueger [add42a] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Removed reverse formula iterators, because they would cause memory ... Wed, 21 Jul 2010 14:36:38 GMT Tillmann Crueger [a6d6a9] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Added explicit instantiation and fixed some bug for formula class Wed, 21 Jul 2010 13:55:18 GMT Tillmann Crueger [d03bb1] * src/Formula.cpp (modified) * src/Formula.hpp (modified) Added methods to produce formulas from strings Wed, 21 Jul 2010 13:09:11 GMT Tillmann Crueger [6f43ab] * src/Formula.cpp (added) * src/Formula.hpp (added) * src/Makefile.am (modified) Added a class that allow simple handling of molecules formulas