[Molecuilder-devel] [SCM] annotated tag v1.4.11 created. v1.4.11

[git at ins.uni-bonn.de]

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The annotated tag, v1.4.11 has been created
        at  493beb6da4a6da7c28cace5bb7c7b8452194a130 (tag)
   tagging  2fc697b743f39b710d3866f7ce2c17542470e39f (commit)
  replaces  v1.4.10
 tagged by  Frederik Heber
        on  Wed Jul 8 08:31:58 2015 +0200

- Log -----------------------------------------------------------------
Several smaller GUI fixes (but this is just the start of it) and other nice-to-haves
SphericalPointDistribution allows saturation of arbitrary elements with hydrogen atoms.
Several regression test fixes.
Initial version of a GUI testsuite (python script + GUI).

This version contains the following branches:
2fc697b	Candidate_v1.4.11 (distcheck fixes and setting version)
08d042d MolecuilderGuiTestSuite (--test and --test-single launch python scripts
	with active GUI, adding internal DryRun actions)
19dfdf7 GUI_niceties (enhancing QtInfoBox, ...)
3a4be0d	SeveralRegressionTestFixes (Fixes within the testsuite statements)
b9b49e7 SphericalPointDistribution (initially planned for the final solution to
	hydrogen saturation in the fragmentation scheme, it allows now to
	simply add hydrogens to any atom in the system and saturating its
	orbitals)
f47efd4	SeveralGUIFixes (Lots of small fixes that came up when using the GUI)

Frederik Heber (47):
      FIX: Action..::outputAsPython now accesses parameters via getUnvalidated().
      FIX: RotateAroundSelf converted rotation angle to rad in params.
      FIX: UndoRedoHelpers' AddBondsFromBondInfo would add bonds doubly.
      Renamed Bond::Contains to Bond::ContainsNr() and added ::ContainsId().
      Undoing atom/molecule removal will also recreate bonds.
      FIX: [push/pop][Atom/Molecule]Selection would store ptrs instead of ids.
      FIX: All MakroActions now have prototype_actions and copy from that.
      Added correct-bonddegree to MolDyn and StructOpt Actions.
      Added BondGraph::checkBondDegree, FragmentationAction only resets degrees when incorrect.
      FIX: ActionSequence now checks whether an Action in the sequence fails.
      FIX: FragmentationAutomationAction checks FragmentControllers' exitflags.
      FIX: MPQCCommandFragmentController failed to add jobs due to false return value type.
      FIX: QDebugStream is now protected against multiple writes to log window.
      FIX: MPQCData::DoValenceOnly was wrongly initialized.
      TESTFIX: Output for target "extracheck" in logs is not helpful if just the log is sent back.
      FIX: Bond cylinders were wrongly scaled and too long with degree larger than one.
      Added matchSphericalPointDistributions() to SphericalPointDistribution.
      Added unit tests for SphericalPointDistribution.
      Moved all code from header of SphericalPointDistribution into cpp module.
      Trimmed down SphericalPointDistribution to what is needed at the moment.
      Added SaturateAction that uses SphericalPointDistribution.
      Enhanced add-bonds and remove-bonds to multiply selected pairs of atoms.
      createMoleculeMesh now checks that minradius is at least the minimum bond length in the molecule.
      QtInfoBox shows Atom's position components separately and molecule's center.
      FIX: QtMoleculeList hiccup'ed on update-molecules for two water molecules.
      Increased timer interval in QtStatusBar to 4secs.
      FIX: Setting window title in QtMainWindow.
      FIX: Fastparsing regression test contained one broken line.
      FIX: VerboseAction would store invalid undostate (just success).
      FIX: double inclusion protection used already used name.
      Split executePythonScript into file and string script option.
      FIX: Removed specific queries for RandomNumberDistribution_Parameters.
      Added "--test"-mode to UI switch in builder_init.
      Command-line arguments are passed to QApplication inside QtUIFactory.
      Added testsuite "GuiChecks" with extra target guicheck.
      Added GuiCheck "AddAtoms".
      Added DryRun and NoDryRun actions.
      Added script file to generate guichecks testsuite from regression tests.
      Added all new guichecks regression tests generated from createGuiChecks.sh script.
      Added ParameterPair (i.e. "key = value;") to allow other string output.
      Replaced all std::string by ParameterPair where used as ("key = value;") tuples.
      Replaced Query.. class and query..() function declarations in Dialog.. by boost preprocessor magic.
      Added "--testsingle" switch for line-by-line execution.
      Merge branch 'GUI_niceties' into Candidate_v1.4.11
      FIX: QtUIFactory used executePythonScript without HAVE_PYTHON brackets.
      FIX: ActionQueue would not set LastActionOk to false on general exception.
      Set version to 1.4.11.

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