- Molecuilder-devel

[SCM] branch stable deleted. v1.4.10
by git＠ins.uni-bonn.de 08 Jul '15

08 Jul '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, stable has been deleted was 2e7afe95e7fc92ca90ef771dbb8089a436d2189a - Log ----------------------------------------------------------------- 2e7afe95e7fc92ca90ef771dbb8089a436d2189a Set version to 1.4.10. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] annotated tag v1.4.11 created. v1.4.11
by git＠ins.uni-bonn.de 08 Jul '15

08 Jul '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". 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. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch Candidate_v1.4.11 deleted. v1.4.10-47-g2fc697b
by git＠ins.uni-bonn.de 08 Jul '15

08 Jul '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, Candidate_v1.4.11 has been deleted was 2fc697b743f39b710d3866f7ce2c17542470e39f - Log ----------------------------------------------------------------- 2fc697b743f39b710d3866f7ce2c17542470e39f Set version to 1.4.11. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch GUIStates_using_ObservedValue created. v1.4.10-134-ga8e27aa
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, GUIStates_using_ObservedValue has been created at a8e27aa65ba2fcf21bb580942f710348a3472e86 (commit) - Log ----------------------------------------------------------------- commit a8e27aa65ba2fcf21bb580942f710348a3472e86 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 16:22:02 2015 +0200 tempcommit: Fix to _molecule. commit b3d4f3e83da991700af2ea100273a8b2f564198d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:37:56 2015 +0200 tempcommit: Fix to GLWorldView, forget to remove connect statement. commit e20994a5ba2a31da4a55106c300ab08f49193506 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:36:37 2015 +0200 GLMoleculeObject_molecule also allows for changing molecule's index. - GLWorldScene has new slot changeMoleculeId(), similarly to GLMoleculeObject_molecule's changeAtomId(). commit 4c0c2d09ddfed0453877f72436a9b9ffedd81c4f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:36:03 2015 +0200 tempcommit: Fixes to _bond. commit 45be03354887f3af2b3e1326b04c5ec45ee06be6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:35:39 2015 +0200 tempcommit: Fixes to _atom. commit 7e2842b79e6024e8adcff96b6e9b05dd460045f8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:34:40 2015 +0200 FIX: Molecule has new signal IndexChanged. - this has been overlooked so far, index may be changed similarly as for atoms. commit c932a5dccacdff7fc0450a81662cfa5b003af7a5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:16:57 2015 +0200 Removed init() and signal WorldSelectionChanged() from GLWorldScene. commit 2d8091bff6023a03c2bd48edb9eb7a5b1db1d5ba Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:16:19 2015 +0200 GLMoleculeObject_molecule uses ObservedValue for internally representing atom's state. commit 0359df1a7b5981b4123363ac848f60a3cc694b04 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:56 2015 +0200 tempcommit: Changes to _bond. commit 4bdb3209570ae392ca927e8b9aacf8ce9e662e48 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:44 2015 +0200 tempcommit: Changes to _atom commit 216da4130b79d394f024345d0362be66747c7704 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:21 2015 +0200 tempcommit: Changes to QtMoleculeItem. commit 694cb3dee613604e9475d28b474dbbe01088814d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:49:13 2015 +0200 QtMoleculeItem_... use ObservedValue for internally representing atom's state. - this affects atomcount, formula, and name. visibility depends on clicked state and occurrence is changed elsewhere. commit 3fe4dbfb032ea6bbcaa3bfde1cb9c7fcc839cc8d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:46:32 2015 +0200 GLMoleculeObject_bond uses ObservedValue for internally representing atom's state. commit 41e624570e038330c120ec352e8b46868f9045d4 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:45:30 2015 +0200 FIX: atom_bondedparticle signatures changed to more const versions. - added getBond() for obtaining bond in const manner. commit 4bacf86e5b84083631a32f7370acd26db82d9cb2 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat Jun 20 02:40:43 2015 +0200 tempcommit: Fixe to trianglematcherin in GuiChecks. Merge with ... commit f9e7f2cd8a5e0deade81d97b22dd4a0a4bda87e7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 19:37:50 2015 +0200 GLMoleculeObject_atom uses ObservedValue for internally representing atom's state. commit 28bc7bb0c30470321562d29fef637e9ec685db95 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 13:45:49 2015 +0200 Added TriangleMatcher to safely compare tesselation .dat files. - is used in tests/regression Tesselations, tests/Tesselations, and has its own regression test, too. Also added tests/GuiChecks. - added trianglematcher to testsuite dependencies. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch GUIStates_using_ObservedValue deleted. v1.4.10-135-g6f86d56
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, GUIStates_using_ObservedValue has been deleted was 6f86d564e844880acbb0998455b21f43c03c6490 - Log ----------------------------------------------------------------- 6f86d564e844880acbb0998455b21f43c03c6490 tempcommit: Fixing trianglematcher.in chmodding in GuiChecks. Merge with 14124a72 ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch GUIStates_using_ObservedValue created. v1.4.10-135-g6f86d56
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, GUIStates_using_ObservedValue has been created at 6f86d564e844880acbb0998455b21f43c03c6490 (commit) - Log ----------------------------------------------------------------- commit 6f86d564e844880acbb0998455b21f43c03c6490 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 24 14:29:03 2015 +0200 tempcommit: Fixing trianglematcher.in chmodding in GuiChecks. Merge with 14124a72 commit a75d3ddfc57ca7ca6d484091c1022984f966a1be Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 16:22:02 2015 +0200 tempcommit: Fix to _molecule. commit 9194b2027e603bdff9a684abb5a9c206060b8e50 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:37:56 2015 +0200 tempcommit: Fix to GLWorldView, forget to remove connect statement. commit af177306e813db1d0a17dd736d25861d357c1b26 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:36:37 2015 +0200 GLMoleculeObject_molecule also allows for changing molecule's index. - GLWorldScene has new slot changeMoleculeId(), similarly to GLMoleculeObject_molecule's changeAtomId(). commit af1c0ef9aedaa7c54abf430a1aca5ed9799bc56e Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:36:03 2015 +0200 tempcommit: Fixes to _bond. commit 49cdf099cad53a20f0486fc074697a9229dc239e Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:35:39 2015 +0200 tempcommit: Fixes to _atom. commit a3c18df27007d9d51c19a9d42863c6483ac27202 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 15:34:40 2015 +0200 FIX: Molecule has new signal IndexChanged. - this has been overlooked so far, index may be changed similarly as for atoms. commit 501a7083685dcf6178a1ea86ddc51147f6843996 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:16:57 2015 +0200 Removed init() and signal WorldSelectionChanged() from GLWorldScene. commit 33cbf452ff771b55e011ed54743779946ff13e1c Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:16:19 2015 +0200 GLMoleculeObject_molecule uses ObservedValue for internally representing atom's state. commit 8956498927343ed006ae8cc49b68ad294e089974 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:56 2015 +0200 tempcommit: Changes to _bond. commit fc71a1758dfe5194d017859bb419f9d19694c802 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:44 2015 +0200 tempcommit: Changes to _atom commit de245b649d45c1dcee62c4b8e958a02c269cd4f9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 14:15:21 2015 +0200 tempcommit: Changes to QtMoleculeItem. commit 4940eb583608c7a6c8ef3490162b19b6c066ecc9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:49:13 2015 +0200 QtMoleculeItem_... use ObservedValue for internally representing atom's state. - this affects atomcount, formula, and name. visibility depends on clicked state and occurrence is changed elsewhere. commit 6e93169c0dc6b457fd46cc140fd17263bb29bdcd Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:46:32 2015 +0200 GLMoleculeObject_bond uses ObservedValue for internally representing atom's state. commit cf3782c0920dea06b62c981ba99b8bea6413b7b0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Jun 21 06:45:30 2015 +0200 FIX: atom_bondedparticle signatures changed to more const versions. - added getBond() for obtaining bond in const manner. commit 169d4c0e7e5c7d684b29be37605c07912facd017 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat Jun 20 02:40:43 2015 +0200 tempcommit: Fixe to trianglematcherin in GuiChecks. Merge with ... commit f9e7f2cd8a5e0deade81d97b22dd4a0a4bda87e7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 19:37:50 2015 +0200 GLMoleculeObject_atom uses ObservedValue for internally representing atom's state. commit 28bc7bb0c30470321562d29fef637e9ec685db95 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 13:45:49 2015 +0200 Added TriangleMatcher to safely compare tesselation .dat files. - is used in tests/regression Tesselations, tests/Tesselations, and has its own regression test, too. Also added tests/GuiChecks. - added trianglematcher to testsuite dependencies. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch SeparatingOutQtThreads created. v1.4.10-117-g935c985
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, SeparatingOutQtThreads has been created at 935c9855a319b377fe6bcf247e2c9430fc26b545 (commit) - Log ----------------------------------------------------------------- commit 935c9855a319b377fe6bcf247e2c9430fc26b545 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 19:37:05 2015 +0200 tempcommit: trianglematcher also used in GuiChecks. Merge with ... commit 203087ea983e3a7f91ceac4ed3cc933064b1e99d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 19:35:50 2015 +0200 FIX: tests/regression FragmentationAutomation had a white space after line break. commit 9c091218924f29e321b092def7157f246905469a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 13:51:08 2015 +0200 tempcommit: Added molecuilderguitest to testsuite dependencies. commit 20a208006acad8888c84aa157782fc6ba108d95b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 13:45:49 2015 +0200 Added TriangleMatcher to safely compare tesselation .dat files. - is used in tests/regression Tesselations, tests/Tesselations, and has its own regression test, too. - added trianglematcher to testsuite dependencies. commit 62487341d36923bded258ac308dfadb6ad2d4b18 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 11:32:31 2015 +0200 tempcommit: QtElementList fixes. commit 14e81c54774a77168b919f56da2c212a0d1eb34c Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:53:26 2015 +0200 tempcommit: Trying to fix MakroAction's outputAsPython(). commit b99a609e3caf322f8b3003fa82a2cd1c6a055d0f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:32:03 2015 +0200 FIX: QtMoleculeListView caused Command to be executed when selection changed internally. - we check via selecting but change is propagated via emit. Now we use DirectConnection. commit 02caa913ec97598b7f8dfc8a4de0683032d36a0a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 02:56:26 2015 +0200 FIX: ActionQueue::isIdle() states whether actions are executed or not. - QtUIFactory uses this to wait till test running next action. commit b737f3b236707a8f2fe947f59c9e71d3d1bcb5fb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 02:42:44 2015 +0200 FIX: Cuboid_impl::getNormal() did not take numerical imprecision into account. commit 670e9a0a0c176c8b29536ec141f7bec28ce8a3f7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:42:13 2015 +0200 FIX: QtTimeLine would cause another WorldSetTime action. - we did not catch where setValue() was called from, from an obtained Observable update() or from changing the slider. - QtTimeLine needs DirectConnection for valueChanged. commit 80219d3d499f0017023ba55ded9eaaf74eb8780d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:41:07 2015 +0200 FIX: QtElementList now uses new updateElement(). - old refill() polls complete list of atoms of specific type in the moment an atom is destroyed ... now we only get informed about newly created atoms (safe) and changing elements (also safe). commit 8785566de18c713ecca9290309d55dacc803ebdd Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 01:39:28 2015 +0200 TEMP: Removed QtLogBox for the moment. - ever and again causes SEGFAULT at QDebugStream::61 (QTextEdit::append()). commit 241e80f361c7c674d786cc6e59ca96f84c0835fb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:09:10 2015 +0200 Added QMutex to QtElementList for refill(). commit 59704e782aea97f14a3988edbe81b06dd22d3f33 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 00:06:29 2015 +0200 FIX: QtMoleculeItem would not correctly signOff prior to molecule being destroyed. - all QtMoleculeItems signOn to molecule::AboutToBeRemoved. - getMolecule() may return NULL, is caught at two places. - getMoleculeId() for allowing QtMoleculeList to acess molid. commit 9ca8c1d77b2865cca26fd259914687db3e13a0bc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 10:50:48 2015 +0200 FIX: QtHomologyList::refill() is now called via signal/slot. commit b4918a3090ef0a090c4723509a1c2fda173d8e61 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:15:04 2015 +0200 Storing the id of the main thread in static global variable. - this is preparatory for thread guard to be used in the context of Qt. commit 21347227f6f1698d786a6b03cb86911147ddc537 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:23:10 2015 +0200 tempcommit: Fixes to GLWorldScene/View w.r.t. MoleculeMissedStateMap. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch SeparatingOutQtThreads deleted. v1.4.10-151-g0312e23
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, SeparatingOutQtThreads has been deleted was 0312e2354381e345b8509d9898560703d82ee90a - Log ----------------------------------------------------------------- 0312e2354381e345b8509d9898560703d82ee90a tempcommit: Fixes to ActionQueue. Merge with 85d6396e ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch AddingConstDescriptors created. v1.4.10-100-g3a7fbdb
by git＠ins.uni-bonn.de 26 Jun '15

26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, AddingConstDescriptors has been created at 3a7fbdb3980327cf8c58023011fc82e04ec2ff45 (commit) - Log ----------------------------------------------------------------- commit 3a7fbdb3980327cf8c58023011fc82e04ec2ff45 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:01:13 2015 +0200 FIX: GLWorldView was signed in to atomInserted and atomRemoved without any need. commit f1c63ec75e47d1e82ae5d1db0cac02d0e0a2f11b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 19:00:55 2015 +0200 FIX: GLWorldScene did not initialize SelectionMode properly. commit b179c135029db35a9e15df1791cd1160b710e864 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 18:59:19 2015 +0200 Extracted signing on to molecule into activateObserver. - is called by GLWorldScene after all "missed" signals have been emitted. commit be6513482eb74c2dde3e9dbd0461d7b9eb30e55a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jun 17 18:58:32 2015 +0200 FIX: QDebugStream is now thread-safe. - also Fix to QTextCursor not registered. commit 8736f13edcd47abe8c5d87ce2f6361f3ffbd1592 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 16 20:37:07 2015 +0200 QtInfoBox updates information on update signal. commit e4ec8026ad3934cd3adb61a89d304a69cc3d1924 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 15 23:01:19 2015 +0200 FIX: Fixing atomicNumber_t atomicId_t in atomRemoved and atomInserted. commit 3c920eeba50450f2ae3476350c0809d8573eb987 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:24:00 2015 +0200 FIX: GLWorldView must not listen to moleculeRemoved but to its subjectKilled. - atoms of a molecule a removed after moleculeRemoved which only gives a prior note about the removal. Then, we are flooded with atomRemoved for each of its atom which go into MoleculeMissedStateMap and pop up when a same-id molecule is instantiated, causing assert failures. commit 74d36b1dbb907e876588c25c11fd198d51a7ea2b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 11 09:33:58 2015 +0200 FIX: GLWorldScene/View capture all missed signals for each GLMoleculeObject_molecule. - Taking note of subscribed molecules to sign Off on GLWorldView's destruct. - GLWorldView::recieveNotification() is checking for whether molecule actually exists still. commit 3a4735d39a576bc0bb81d21306d90a87559e0c5e Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 8 19:05:01 2015 +0200 Removed GLMoleculeObject_molecule's init() and reinit(). - also removed InitAtomMap and associated code. - removed changeAtomId slot/signal in GLWorldScene. commit a672755cf76afcecb7ca097241ec3b1273e2c490 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 8 18:26:34 2015 +0200 UIs are now initialized before any action takes place. - UIFactory::doneInitializing() is set after mainwindow is instantiated. - QTUIFactory::testrun() waits till UI is done initializing. commit 97e87d558f6a0b45ee829d6068438f649516681b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:11:15 2015 +0200 Removed lots of code in GLWorldScene that now resides in GLMoleculeObject_molecule. - atoms and their bonds are now controlled by the latter. commit 1c4609d547fded5e9eee0944ce926a33c1ba9ae8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 19:10:49 2015 +0200 FIX: GLMoleculeObject_molecule was not informed of atom index change. commit 6812deb27fdef9db7a23dc18847bd9149b7702ce Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 14:45:20 2015 +0200 FIX: QtElementList does not have a changed() signal. commit 8cbf1b0a1050788344dc0d2e933e0f159e7190d8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 13:23:35 2015 +0200 FIX: QtInfoBox now works mostly on ids. - slots are requested as ..Id_t and not as ptrs anymore for some time. commit f22820cccd1a8019685e2e2f40bb8f9fbea5b37a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 12:43:49 2015 +0200 FIX: molecule's Formula is not changed when atom changes element. commit bb1c7216c5ef03cac53c597b14822990226f3f22 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 12:41:40 2015 +0200 FIX: GLMoleculeObject_molecule() may overlap with atomInserted() signal. - this is because GLMoleculeObject_molecule takes some time till init() is called and its runs in a separate thread (hence, further atoms may be loaded into the just created atoms). As we first signOn() and then call init(), we may end up initializing atoms whose atomInserted signal then also comes in but lateron. This causes the AtomsInSceneMap to have double entries and the assertion to fail. We now keep book of all atomic ids inserted during init() and these are ok to appear doubly and their signal is skipped. commit 158d6c807e21323f2ed6c3f8cd3dbccc1b072e63 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 10:52:11 2015 +0200 Converted FormatParser::save() to using vector of const atom ptrs. - required to change all save() functions in all parsers. commit c9c8159bbca13346b7c615018241f8ace718a074 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Jun 2 10:32:10 2015 +0200 Replaced all World::getSelected...() to const version where possible. - also added const version of World::getSelectedAtoms(). commit 46a369dda68b9d4bc339e2f7fa590c5b836057e0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:13:27 2015 +0200 tempcommit: World::getSelectedMolecules() changes hiccup. - why did this actually change? commit 94434acb82e8a7ac6bef4e8ae761d93e2474edad Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:01:31 2015 +0200 tempcommit: Change associated to TremoloParser. commit d838ee9ac135c75bc165f55aea6f69725601cf12 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:01:08 2015 +0200 tempcommit: More ConstAtomComposite hiccup. commit f865f634f4b1d2af973ed2621ba5a902ccbdd4bd Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:36 2015 +0200 tempcommit: PdbParser change hiccup. commit 3d83556b0f87597c7aaeb49fd94a4b8ffa52334a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:23 2015 +0200 tempcommit: Value_atom changes hiccups. commit 54bea0a5f25cc3f5f136999ff8574d9f4e22b7ad Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:54:07 2015 +0200 tempcommit: ConstAtomComposite change hiccups. commit dc5328c10cae4577cd63ebeab5f5922e94aadbf9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:16:02 2015 +0200 Replaced World::getAllAtoms() by const version where possible. commit 678a40dab0cc3801ac1889ee6053217e2bb6b1cc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 22:14:10 2015 +0200 tempcommit: AtomIdSet changes hiccup. commit 30ea04207ba67e8611ca7092d91e082a1c4493ea Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 21:53:40 2015 +0200 tempcommit: molecule::const_iterator problems (due to FromIdToConstAtom). commit 813ce8e00593ab48abe527a859517e9ff0ac6beb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 10:20:24 2015 +0200 tempcommit: Changes due to molecule::const_iterator (FromAtomToId). commit 7d15687a2875543bdc832a4c26049186004165b5 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 18:57:36 2015 +0200 Replaced World::getAtom() wherever possible by const version. - some AtomSet member functions now have const atom ptr instead of atom ptr. - molecule can return const and non-const AtomSet. - added FromIdToConstAtom to allow iterate through atoms in molecule (which are stored by id, not by ptr) in const fashion. - in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const (because copying involves father atom who is stored non-const). commit 132fdc19f787e27e726dcc13d9e9074acc2cd2c9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:56:36 2015 +0200 Replaced World::getAllMolecules() wherever possible by const version. commit 593fda06ac31d55e34af79c3d078c517d995a009 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jun 19 10:20:59 2015 +0200 tempcommit: Changes due to const atom::getMolecule(). commit 5e2b9c88352638ee8452214c1a3b30cb25188f4f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:48:35 2015 +0200 Replaced getMolecule() by const access version where possible. - so far this is done done via const_casting the World. commit 6606392ebe28e7de140ce98a390c29fc637f24ba Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 10:30:56 2015 +0200 World::getAtoms() now has const versions as well. - this in turn required to adapt all AtomDescriptors and some fixes, e.g. predicate is now const member and works on const atom ptr. commit 2052d0d1329d6393d8d11a01db8d243eb98d6102 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:42:00 2015 +0200 World::getMolecules..() now has const versions as well. - this required to adapt all MoleculeDescriptors accordingly. commit fcb8cce47856ef5981a301c9925c1dbe2b90bf95 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:22:29 2015 +0200 atom::getMolecule() now returns ptr to const molecule. - changed some places where getMolecule() was used. Most of them required only const access anyway. World is allowed to const'cast the constness away as it commands over molecules anyway. commit d33c172900f537fed258f467d3e916dd16f6bb05 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Mon Jun 1 09:42:19 2015 +0200 DOCU: Corrected userguide. - this still needs some more work, e.g. w.r.t to code snippets indentation. commit 1b18c5a348b3cd8c86e1d55f69a3788f31ad6a74 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Jun 18 03:53:44 2015 +0200 FIX: createGuiChecks can handle multi-lines. - also we reduce verbosity by default. - redid all GuiCheck test scripts. ----------------------------------------------------------------------- hooks/post-receive --

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[SCM] branch GUIStates_using_ObservedValue deleted. v1.4.10-132-g75364b6
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26 Jun '15

This is an automated email from the git hooks/post-receive script. It was generated because a ref change was pushed to the repository containing the project "". The branch, GUIStates_using_ObservedValue has been deleted was 75364b686379f02ac5e498e654e0795023f18760 - Log ----------------------------------------------------------------- 75364b686379f02ac5e498e654e0795023f18760 tempcommit: Fix to _molecule. ----------------------------------------------------------------------- hooks/post-receive --

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