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commit 75364b686379f02ac5e498e654e0795023f18760
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 16:22:02 2015 +0200
tempcommit: Fix to _molecule.
commit 2410be1fa9782611b278ab9942ee59a2b1ce2873
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 5cfa4ab44f1d295de9828752fc068b3eb150a81e
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 9dd7471d60d45f92ddeeeec69ed6b9438a6f6ba0
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 15:36:03 2015 +0200
tempcommit: Fixes to _bond.
commit e9df649b4dc60c66eff7926f013d60662886f58f
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 15:35:39 2015 +0200
tempcommit: Fixes to _atom.
commit 501c783fd89f5449a215c563e3ecad374635c344
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 e40bc0b3ef2de970bd77a644850e0ab75ee40f26
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 3398eeaea723e5f23b899d49c8f38b7c25920484
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 87bf4b017499c8fb4b4dae5d5850d61c5ecae85c
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 14:15:56 2015 +0200
tempcommit: Changes to _bond.
commit 5a226170ae06409be3dfb3f676fdc81c7072c3d5
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 14:15:44 2015 +0200
tempcommit: Changes to _atom
commit ceb7eaf8398ff03223b7d31cfeedd36625a79bee
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun Jun 21 14:15:21 2015 +0200
tempcommit: Changes to QtMoleculeItem.
commit 15116102d2a378e82c6953aa5dbd354ebaf6dac0
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 32786c5d94ac8ebaa0c1343df23406b0a1d41ef7
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 3e35890170299753563813b8ece39731d08bc9ad
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 14124a72c8f2dde5a0b6f11a8e7846e64d8dd06e
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 177cd5d8acc620f79ea4ee15c566597679b3613a
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 2236c48da4587d6a348761a17505bc7aa817e990
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.
commit 623bcb1f9132d9ba0eb2455152954b5fe13b5333
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 808f306013fb312d950ed58d870d4ca2d13486fc
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 c68bd8c4827d4380ef9dabd63c840a2baadabd11
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 336814126baeb79fb92853d81a593c0008feb935
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 be7af04f282e3df004fb1dcf84edfcfe0cca851b
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Fri Jun 19 11:32:31 2015 +0200
tempcommit: QtElementList fixes.
commit ebf349fcecd354b4743ee6afbde824fb61439c93
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 7b9cb7c6ef0864811496d7556cdbd5bfe29c2d34
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 82f55be7db82e14ea5003cd699aae3efd0fbecef
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 e69c446f97c5f2264235dbcb04a0ed8ff90c681e
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 d8817de17af7bdeec6d29b050755e82c16d062b9
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 2ea6398a0c7e0f824bccb50acfd6c469e7c6cb8b
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 42ca24539427a0df1e16f3d9056bbe0e371766c3
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 5acaee28c74e200aaa11bce984b3a58892019c2d
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 e6f9daaf049ccc62152eee423dbb2fe39ab07c15
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 55897f55f9c8eb402aa2cad4748a214a1be92e03
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 d750f9ca2d9d9d8dd90fc8712f62a9fad9e47421
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 a9aaa9fa45883d2588e2eb520aafa5b4d093baa9
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.
commit c6c3d202875b7b91e9846cb5bb142f8474e83a2c
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 d1241a84f58c89a92d65ec372692a9d1ebfd5ecb
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 eb87a44364f1c58010634d4325a07c9c25dd68cd
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 988c787c883c5184f305c9fd492347c6d75ca166
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 1009de2c02cb28ccc60406f38e59f3228fa83cfb
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 938d2741d92c9aa35323d4376311541b94610a4f
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 50baad1ef1a40b8e3f40807920ad2e8ce27e5ed5
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 5397d9e586abce51a4da3f4072fe07a8380f587f
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 95d39ebf0ff53b32fee0f09c3a5a9216020ba38e
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 568df3abb720d6fd5586317005e8e8ff702424fd
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 f5f2cbbc2a3e492cc8e276ce80c146cc218be402
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 ef24213beb39fec4c3093ecc8c8f90d18837615d
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 ee6636f10f556951bce74fd93be9816d5ab02b70
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 d619fb42140095bd77e8922aa48840a4dfeb3d7a
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 004956992457b92f9eb2138bb0c261c8252c614d
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 09b198f8c3961b48c7e2da012539d5e375caf448
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 be07501b238c0001b883faad00e456c984bc8dfe
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 bfab8cdbdebae3e1f19201c7cf006ec77d9c8ff8
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 4df3e041dd475cf188ebfe959de58ae1cf339c24
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 2d452371d4c6ea7e9f173b633aecd0f7dea79f09
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 22:01:31 2015 +0200
tempcommit: Change associated to TremoloParser.
commit ff227812c319df2a68cebff77ca3a30c91006edd
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 22:01:08 2015 +0200
tempcommit: More ConstAtomComposite hiccup.
commit dc3c74999aa6d536deec0801950487af6406ef58
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 21:54:36 2015 +0200
tempcommit: PdbParser change hiccup.
commit d4f2d600952480ea78371e6cb70c002f2ebbd188
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 21:54:23 2015 +0200
tempcommit: Value_atom changes hiccups.
commit 743123116d5f96ab5d765f8236e8b4a0815df178
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 21:54:07 2015 +0200
tempcommit: ConstAtomComposite change hiccups.
commit 8794eb8147db17c46f1166768e8c5b9531ffea7e
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 6d62faac63cc9c12fbfb945eae60933d6eece2cb
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Mon Jun 1 22:14:10 2015 +0200
tempcommit: AtomIdSet changes hiccup.
commit c1d27ffc8b4ddf42e5a64df590ad9973d1dc7ab5
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 c63553f8ee6372f6a110ea8bc29cf3869982f043
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 3246e73829c6d7b1cd8be824094bd6672e31e5c9
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 02aa4691c99cd62a240d4894f577781015bcfbf4
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 28f4dfb5c9024f2a3636ecdd0fb36beaedaaf355
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 2902cb44427b977cd9c13f1e63db5c781159b7d8
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 75ed1736c4851cda5e1cc76a20b76dd448f59684
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 a98e8851aa93546be7523c3f809b0a4961758152
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 5b5759db0e40c1195bf4edbd4e6785e016cbdf44
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 52fe9b5dc5e6d61b562fef9173d0f36f3508c733
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 888aeaf77fc02915e74e3a5d7b4665dc41ff9080
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.
commit fe380db1f83b7f01c50f99bb11e26ad655e287e7
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 31 18:00:52 2015 +0200
tempcommit: Attempt to replace QtElementList::refill() by faster system.
- this is not finished or tested as it is incompatible right now right refill().
commit 5d329da8ae726a361331d42676201803ec25f7fc
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 31 18:01:34 2015 +0200
Molecule has new channel FormulaChanged used by specific QtMoleculeItem.
commit a15f778c88c4281ef19809961831866b52082ac4
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 31 17:59:56 2015 +0200
FIX: Neither World nor MoleculeListClass do not sign on to molecule changes.
commit 88a5527c3477146c7d6484481e3f9e0686ddcd85
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 31 17:09:31 2015 +0200
QtElementList now listens to AtomObserver and not MoleculeListClass anymore.
commit 3aebefb0c61597eb24f2d9ebd90cdfd2eda6c4be
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Fri May 22 23:14:50 2015 +0200
QtMoleculeItem now uses moleculeId_t instead molecule*.
commit b7a98838af4c0d95a103210f033ae0e8e39be431
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Fri May 22 22:18:58 2015 +0200
Changed hoverChanged() from mol* to moleculeId_t.
- also changed signatures for atom.
commit e090e83b073ff14293ffb5b5087ebe39c1ef52c9
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 22:56:56 2015 +0200
FIX: World does not to heed updates from internal MoleculeListClass.
- there is not even an World::update() nor ::recieveNotifications().
commit 9496f81208bac10da06f74cc8b30276fc05d4d69
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 22:56:40 2015 +0200
Fixed ObserverLog message in GLWorldView.
commit 7e8ffd3ec3cd5fb1839cc8d05eae6e1db33acf11
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 20:57:49 2015 +0200
FIX: GLWorldScene::changeAtomId() reinserted with oldid instead of newid.
- also fixed assertion message in GLMoleculeObject_molecule::atomInserted().
commit 95b53d67ef9d958641335a62e364c8f8da6225d5
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 20:05:31 2015 +0200
FIX: QtMoleculeListView::moleculeSelected() did not check for presence of molitem.
commit 17556af46363f62fe2726d83e74807532897dd68
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 20:04:49 2015 +0200
GLWorldScene::atomInserted() also adds NULL object to ..inSceneMap.
commit decc6255d96b42a91c81a215640178ca41fe0400
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 19:37:52 2015 +0200
GLWorldScene::moleculeInserted() gets moleculeId_t as param.
- we must not use pointers to instances outside the Qt world as parameters.
- we add NULL into MoleculesInSceneMap for moleculeRemoved to remove the entry.
commit 4a67f0f5ce8cc9ecd55a6f1a00a4c816fc007ddf
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Tue May 19 07:28:36 2015 +0200
Gui is returning error code of 5 (in test mode) if (last) action failed.
- this allows to take over return code checks in testsuite.
commit 4af30a01bc258772ee450427210b23449468a224
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 17 14:30:06 2015 +0200
FIX: print on CommandHelp("help") not required in python regression test.
- also fixed double disclaimer.
commit abcddcc256bdfacce2d562ae00d49371764e3b58
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Wed May 20 20:58:20 2015 +0200
FIX: parser-parameters in regression tests basis and maxiter contained white spaces.
commit 509feca10513e95acde1f09e84666eae6ab9fbc4
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sun May 17 10:04:04 2015 +0200
FIX: Regression test set-parameters-mpqc undo compared against wrong file.
- functionality is actually working and removed XFAIL_IF.
- regression test set-parameters-mpqc had too many white spaces in
parser-parameters.
commit 8a83d57ddb0c534c7541b6e6ca36f69fbdb6257f
Author: Frederik Heber <heber(a)ins.uni-bonn.de>
Date: Sat May 23 21:23:35 2015 +0200
Set version to 1.4.11.
- MoleCuilder library is now 14:3:1.
- Codename "Soccer" (It is one for all and all for one football).
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