[Molecuilder-devel] [SCM] MoleCuilder annotated tag v1.4.4 created. v1.4.4

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The annotated tag, v1.4.4 has been created
        at  de72dca981dc145dd9ccc550cad6227fb89c6ead (tag)
   tagging  5a2d986e91cb234cc443e56577928ffc34be1b35 (commit)
  replaces  v1.4.3
 tagged by  Frederik Heber
        on  Wed Mar 5 20:47:50 2014 +0100

- Log -----------------------------------------------------------------
Several preparatory steps for introducing action-executing thread.
Fixes to QtFragmentList.
Homologies and hence potentials are plotted inside extra widget.
Fixes to fragmentation with respect to cycles and long-range.

This version contains the following branches:
5a2d986 Fixes_v1.4.4 (dist fix, other fixes, and version)
b47f9c1 Fixes_LongRange_Open (fix to open boundary conditions grid preparation)
92f978c Fix_StoreLoadSession_Regression (fix to regression test)
d29b31c Fragmentation_LongRangeLevelOne (change to print long-range energy
        at level 1 although still nonsense)
174f8b8 Fragmentation_ResultPerIndexset (Output of energy contributions per
        index set)
f58e56c Fragmentation_FullCycles (Hack to allow treating cycles always as full)
b677ab5 PlotablePotentials (Added plotting via qwt to QtHomologyList)
a8f5d94 PlotableHomologies (QtHomologyList has extra widget)
d20ded7 QtFragmentList (List of all current fragments in Qt gui)
c792e0b Fixes_UI (several fixes and enhancements to Qt gui)
07414d7 IndependentUI_Fixes (No more pointers in the UI contect)
c606650 QtUI_ThreadPreparation (Changes to Qt components to prepare them
        for action thread)

Frederik Heber (53):
      FIX: GLWorldScene and GLWorldView have atomRemoved with id not atom ptr.
      QtStatusBar::updateProcess() replaced by signal/slot mechanism.
      FIX: Using signal/slots to notify other thread of new or removed shapes.
      Changed atom ptr into atomicId_t param for atomInserted of GLWorld... classes.
      FIX: GLMoleculeObject_atom just stores the atom's id, now ptr.
      Rewrote Observer structure of GLMoleculeObject_bond.
      Changed atom ptr into atomicId_t param for atomInserted of GLWorld... classes.
      Qt's labels now show description as tool text.
      FIX: QtTimeLine was not notified of TimeChanged of WorldTime.
      FIX: StringQtQuery did not use default value.
      FIX: FitPotentialAction did not check whether potential already exists.
      QtInfoBox shows name of atom.
      Added enable/disable for DreiBein and domain box.
      FIX: QTimeLine does not grow vertically anymore.
      Added molecuilder logo to QApplication.
      FragmentResultContainer is Observable and displayed by QtFragmentList.
      QtHomologyList is now a split with QTreeWidget and another widget.
      Extracted all length,angle, ... function inside potentials into functors.
      Added CoordinatorFactory that returns the correct Coordinator for a given graph.
      Added getCoordinator() to EmpiricalPotential interface.
      Added check for qwt.
      Added many files from project Seismolo.
      Made models of CompoundPotential const_iterable.
      QtHomologyList also observes PotentialRegistry.
      Added QSeisPlotPage to QtHomologyList.
      FIX: GraphNode's operator<<() omitted commata between components.
      FIX: CyclicStructureAnalysis did not work correctly.
      Added option DoCyclesFull to FragmentationAction.
      FragmentationAction stores cycles to file and in FragmentationResultContainer.
      FIX: Histogram::superposeOtherHistogram() could not deal with empty bins.
      createMatrixNrLookup now requires a ValueMask.
      Added (in)equality operators to all SetValues.
      SetValue treats ZeroInstance as value special.
      (Orthogonal)Summator are notified via out-of-range matrixnr to omit contribution.
      AnalyseFragmentationResultsAction now also calculates and prints cycle correction.
      Extracted cycle contribution calculation into distinct function.
      Writing out energy file with value and contribution per index set
      Summed up results are now handed-over to FragmentationResultContainer by AnalyseFragmentationResultsAction.
      Added ClearFragmentationResultsAction.
      Extending QtFragmentList to show value and contribution of summed results.
      FIX: CyclicStructureAnalysis::InitializeToRoot() did not reset some internals lists.
      Split regression test on analysing long range results into OBC and PBC type.
      Longrange energy is now also calculated for level 1.
      FIX: store-.. and load-session regression tests were skipped on wrong case.
      Cut down verbosity of SpecificFragmentController with CodePatterns::Info changes.
      FIX: WindowGrid_converter::addWindowOntoGrid() never used OpenBoundaryConditions branch.
      DISTFIX: regression tests Options Sessions do not check correctly for python capability.
      DISTFIX: molecuilder_logo.png is contained, not molecuildergui.png.
      FIX: getSummedShortRangeResults() usage of typename incompatible with some gccs.
      DISTFIX: QwtPlotting had extra _ in QWTHEADER declaration.
      DISTFIX: libMolecuilderFragmentationAutomation.la was included without CONDJOBMARKET.
      FIX: Some python commands with default values threw asserts.
      Set version to 1.4.4.

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