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molecuilder-devel@ins.uni-bonn.de

January 2015

  • 1 participants
  • 14 discussions
[SCM] MoleCuilder branch GUI_TesselatedLargeMolecules created. v1.4.9-25-g4f2895f
by git@ins.uni-bonn.de 15 Jan '15

15 Jan '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 "MoleCuilder". The branch, GUI_TesselatedLargeMolecules has been created at 4f2895fe90439ea317f5f52995da2eaa9bd4aac7 (commit) - Log ----------------------------------------------------------------- commit 4f2895fe90439ea317f5f52995da2eaa9bd4aac7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jan 9 12:24:22 2015 +0100 FIX: World::SetTime() erased molecules twice. - once in SetTime() and then again in DFS.Update...(). commit 066442d357f0a016de2922eff675320398a5ba17 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:37:33 2014 +0100 Added TranslateMolecule action. - added translate-molecule to userguide. - added translate-miolecule regression tests. - TranslateAtoms now has extra option position. commit a84e8d0ab1d22d7db69a2ac4a869d411549a066b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:45:44 2014 +0100 Added Push/PopMolecules selection action. - added push-molecule to userguide. - added regression tests to Push/PopMoleculeSelection. commit 3213f29e16ba9cf8c7dc57a7343907df2ec3988a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:37:06 2014 +0100 Added Push/PopAtom selection actions. - added push-atom to userguide. - added regression tests to Push/PopAtomsSelection. commit cad38353d3b80b389bc34215a1350cc486705ef7 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 20:32:31 2014 +0100 Added push/pop[Atoms|Molecules]Selection to World. - this is mostly convenience for MakroActions to use selections and still keep the selection from the user. commit 2440cedf30e76a68e8eff1d2567f19c1b9e114ca Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Jan 14 21:31:24 2015 +0100 FIX: Changed SuspendInMoleculeAction to catch segfault when rho=1 was given. - however, the action is still not tested to work. - TESTFIX: suspend-in-water gets parameter density via "density" not via "suspend-in-water", set desired density to faulting 1 for the moment. - TESTFIX: added water molecule to test.conf, to have at least two molecules. commit 601ef8103d4e9e074f5fdcf17ea01dec9372e95f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 20:10:19 2014 +0100 FIX: ActionQueue is no longer cleared when Action fails. - we only remove the present and all following Actions. - also cleaned up threaded/non-threaded parts of ActionQueue: CurrentAction, tempQueue is solely used in threaded part. commit 33c97e84dae27f29caf454929853623b09c497bb Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 19:15:47 2014 +0100 FIX: Failing Actions do not clear ActionQueue/History anymore. commit 52cd7bb206bec24c016935f40237d8c5102ab6aa Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 21:38:29 2014 +0100 FIX: Bonds from new molecules are instantiated, too. - when filling in molecules, initially empty molecules are created and atoms added lateron. Added atoms would not add their already present atoms but only new ones via an Observer update. Now when an atom is inserted, all bonds if any are added. commit c01fec6a0c349cdec638b991086b581c75b3eccc Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 19:41:27 2014 +0100 Undo/Redobuttons are grayed out when respective Action not possible. commit 867473fc81f5f56ef4a2749de5a2256f208084b8 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 18:29:46 2014 +0100 Added new RemoveAction for molecules. - also add regression test. - added remove-molecule to userguide. commit 596cfa877bf5ca9866344e3bf0623e4704009c17 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 09:28:58 2014 +0100 Extended UndoRedoHelpers by AddingMultipleMoleculesfromAtomicInfo. commit d7cad13fbfec0974d4bd77f1cbca6c59fac0ad61 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 09:28:30 2014 +0100 Extended selection action for Molecule ids to multiple ids. commit b6d92e374e7b56b8a8b8399faf64a7363294d1b4 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat Dec 6 00:06:53 2014 +0100 GLWorldView's view may be changed via keyboard (especially zoom). - Zoom and keys distance change scaled by eye-center distance. commit f115ccd1f9b646866bddc9583360ebb5e27593b9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Dec 3 23:15:42 2014 +0100 For GLMoleculeObject_atom element and position are only reset..() on hook'ed in draw(). - similarly as with GLMoleculeObject_molecule, we check in draw() when need to reset..() and do it before the actual drawing. This speeds up a lot. commit a7aebd81a7ffd4f46af11dbf5e777b8833c831cf Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Dec 3 20:20:31 2014 +0100 World removes empty molecules. - on destroyAtom() of molecule's last atom, destroyMolecule() is called. - FIX: destroyMolecule(molecule *) did use OBSERVE unncessarily. This caused seg'fault. - extracted removeAtomsinMolecule from molecule class. This is necessary since World will automatically remove empty molecules. commit 7b93f9dad1f3a6bad5e0303472273227cebbcc50 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Nov 18 20:52:44 2014 +0100 Added MeshFreeType to GLMoleculeObject. commit 3eb91c4b2479f25056f44fbdb7275387992fccea Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Nov 16 17:31:35 2014 +0100 Molecule's Visibility can be changed "group-wise". - FIX: Removed this funny clear() on update() signal. Also using notifications now, which appear less often. commit 9a7ef90a4cc774b21092647cb1d743b0a756dbb6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 23:35:35 2014 +0100 Molecules can be (un)selected by clicking on the tesselation hull. commit 2b596f94d8d4eaae7f603d8c5e7e9546cc3cfe3f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 23:26:05 2014 +0100 Hovering over molecules is working including update of QtInfoBox. - SelectionBox is drawn again when molecule is fully shown. commit 7b59843c6e0fcf96629146aac977053a6deaab43 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 20:01:33 2014 +0100 GLMoleculeObject_molecule listens to AtomMoved signal to update hull only when necessary. commit c32d21acd3e47b463b8a5f9dc56fe34113509f73 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 19:14:17 2014 +0100 Molecule relays atom's PositionChanged as AtomMoved signal. - this allows to update tesselation hull only when something changed. commit 34e7fdbe244fe3d4cc7ffaf1162683ab8c7eff45 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Nov 6 00:22:55 2014 +0100 GLMoleculeObject_molecule display tesselated surface in m_visible case. - set TesselationHull radius to 2., independent of mol's bounding sphere. - added bool to indicate when subjectKilled() had been called. commit 739ee9365702db570a88ff6eecfa0f87be1ec93b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 5 23:00:40 2014 +0100 GLMoleculeObject have m_visible, settable in QtMoleculeList. - is connected via QtMainWindow an GLWorldView, GLWorldScene. - i.e. molecule's atoms and bond display can now be switched on and off. commit 8c001aeb40538cff3bf30540d0cc0b8359472d75 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 5 20:19:42 2014 +0100 GLMoleculeObject_atoms and .._bonds are now children of .._molecule. - GLMoleculeObject::initialize() is now virtual. - .._molecule is now draw()ing its children, i.e. initialize() of .._molecule calls in turn those of .._atom and .._bond. Similarly with draw. - molecule has a lastchangedatom member variable now. - FIX: molecule::getBoundingSphere() did not check for no atoms. ----------------------------------------------------------------------- hooks/post-receive -- MoleCuilder
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[SCM] MoleCuilder branch GUI_TesselatedLargeMolecules deleted. v1.4.9-27-g65550d8
by git@ins.uni-bonn.de 15 Jan '15

15 Jan '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 "MoleCuilder". The branch, GUI_TesselatedLargeMolecules has been deleted was 65550d858d4c18ea86fba70e93129adfcf2b20a0 ----------------------------------------------------------------------- 65550d858d4c18ea86fba70e93129adfcf2b20a0 FIX: World::SetTime() erased molecules twice. ----------------------------------------------------------------------- hooks/post-receive -- MoleCuilder
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[SCM] MoleCuilder branch GUI_TesselatedLargeMolecules created. v1.4.9-27-g65550d8
by git@ins.uni-bonn.de 11 Jan '15

11 Jan '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 "MoleCuilder". The branch, GUI_TesselatedLargeMolecules has been created at 65550d858d4c18ea86fba70e93129adfcf2b20a0 (commit) - Log ----------------------------------------------------------------- commit 65550d858d4c18ea86fba70e93129adfcf2b20a0 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Jan 9 12:24:22 2015 +0100 FIX: World::SetTime() erased molecules twice. - once in SetTime() and then again in DFS.Update...(). commit be7317df86cdcf7df57a40c82b31ee2ccf0ade9a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat Dec 20 21:09:50 2014 +0100 TranslateAtoms now has extra option position. - this is preparatory for translate-molecules where we need to fill in this option. commit 710e95c8989e4ed2c92d757fd34b4dee0f6322c2 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:37:33 2014 +0100 Added TranslateMolecule action. - added translate-molecule to userguide. - added translate-miolecule regression tests. commit 094b32830d79a8c2fbee334fcac5ec3c20e17aea Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:45:44 2014 +0100 Added Push/PopMolecules selection action. - added push-molecule to userguide. - added regression tests to Push/PopMoleculeSelection. commit 5c0292f5f303fa29532c6b18de91f7506050bcef Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 19 17:37:06 2014 +0100 Added Push/PopAtom selection actions. - added push-atom to userguide. - added regression tests to Push/PopAtomsSelection. commit 7c81c794cf1cf4699aeb057b4f34ecb47d460a74 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 20:32:31 2014 +0100 Added push/pop[Atoms|Molecules]Selection to World. - this is mostly convenience for MakroActions to use selections and still keep the selection from the user. commit 27554da98b22f86d918faa0bc53e6be63af8399e Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 20:10:19 2014 +0100 EDITME: FIX: ActionQueue is no longer cleared when Action fails. - we only remove the present and all following Actions. - also cleaned up threaded/non-threaded parts of ActionQueue: CurrentAction, tempQueue is solely used in threaded part. - EDITME: clearTempQueue() should be in threaded only but I did not want to recompile the whole thing (due to header change). commit 4ae214783b53e3d69cbea0c4ceb6e77a697f3a30 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Dec 14 19:15:47 2014 +0100 FIX: Failing Actions do not clear ActionQueue/History anymore. commit dc1a845623c807829df2205c648c55f086665443 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 21:38:29 2014 +0100 FIX: Bonds from new molecules are instantiated, too. - when filling in molecules, initially empty molecules are created and atoms added lateron. Added atoms would not add their already present atoms but only new ones via an Observer update. Now when an atom is inserted, all bonds if any are added. commit 1cf4ae6f168457477a3fd0c1614f799cdce4d35a Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 19:41:27 2014 +0100 Undo/Redobuttons are grayed out when respective Action not possible. commit add4b1ae0a62b37fd99f82b311047f99c3619338 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 18:29:46 2014 +0100 Added new RemoveAction for molecules. - also add regression test. - added remove-molecule to userguide. commit c73a14327ac84582acc3e2b69cba8d87cab652c3 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 09:28:58 2014 +0100 Extended UndoRedoHelpers by AddingMultipleMoleculesfromAtomicInfo. commit 90d1ad28a516c44354e10e1f7ffba3f15bd6d0e9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 21:05:41 2014 +0100 tempcommit: New update scheme for QtMoleculeList requires changing flag to prevent VisibilityChanged() trigger. commit a2b40c62e44b11ed86e1efe99679a4acd88cb78d Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 20:43:05 2014 +0100 tempcommit: Extracted add/removeItem in QtMoleculeList, no more complete refilling on update. - this is unfinished as we can't find the item to a molecule that is about to be removed. commit d7cad13fbfec0974d4bd77f1cbca6c59fac0ad61 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Fri Dec 12 09:28:30 2014 +0100 Extended selection action for Molecule ids to multiple ids. commit b6d92e374e7b56b8a8b8399faf64a7363294d1b4 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sat Dec 6 00:06:53 2014 +0100 GLWorldView's view may be changed via keyboard (especially zoom). - Zoom and keys distance change scaled by eye-center distance. commit f115ccd1f9b646866bddc9583360ebb5e27593b9 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Dec 3 23:15:42 2014 +0100 For GLMoleculeObject_atom element and position are only reset..() on hook'ed in draw(). - similarly as with GLMoleculeObject_molecule, we check in draw() when need to reset..() and do it before the actual drawing. This speeds up a lot. commit a7aebd81a7ffd4f46af11dbf5e777b8833c831cf Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Dec 3 20:20:31 2014 +0100 World removes empty molecules. - on destroyAtom() of molecule's last atom, destroyMolecule() is called. - FIX: destroyMolecule(molecule *) did use OBSERVE unncessarily. This caused seg'fault. - extracted removeAtomsinMolecule from molecule class. This is necessary since World will automatically remove empty molecules. commit 7b93f9dad1f3a6bad5e0303472273227cebbcc50 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Tue Nov 18 20:52:44 2014 +0100 Added MeshFreeType to GLMoleculeObject. commit 3eb91c4b2479f25056f44fbdb7275387992fccea Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Sun Nov 16 17:31:35 2014 +0100 Molecule's Visibility can be changed "group-wise". - FIX: Removed this funny clear() on update() signal. Also using notifications now, which appear less often. commit 9a7ef90a4cc774b21092647cb1d743b0a756dbb6 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 23:35:35 2014 +0100 Molecules can be (un)selected by clicking on the tesselation hull. commit 2b596f94d8d4eaae7f603d8c5e7e9546cc3cfe3f Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 23:26:05 2014 +0100 Hovering over molecules is working including update of QtInfoBox. - SelectionBox is drawn again when molecule is fully shown. commit 7b59843c6e0fcf96629146aac977053a6deaab43 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 20:01:33 2014 +0100 GLMoleculeObject_molecule listens to AtomMoved signal to update hull only when necessary. commit c32d21acd3e47b463b8a5f9dc56fe34113509f73 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 12 19:14:17 2014 +0100 Molecule relays atom's PositionChanged as AtomMoved signal. - this allows to update tesselation hull only when something changed. commit 34e7fdbe244fe3d4cc7ffaf1162683ab8c7eff45 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Thu Nov 6 00:22:55 2014 +0100 GLMoleculeObject_molecule display tesselated surface in m_visible case. - set TesselationHull radius to 2., independent of mol's bounding sphere. - added bool to indicate when subjectKilled() had been called. commit 739ee9365702db570a88ff6eecfa0f87be1ec93b Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 5 23:00:40 2014 +0100 GLMoleculeObject have m_visible, settable in QtMoleculeList. - is connected via QtMainWindow an GLWorldView, GLWorldScene. - i.e. molecule's atoms and bond display can now be switched on and off. commit 8c001aeb40538cff3bf30540d0cc0b8359472d75 Author: Frederik Heber <heber(a)ins.uni-bonn.de> Date: Wed Nov 5 20:19:42 2014 +0100 GLMoleculeObject_atoms and .._bonds are now children of .._molecule. - GLMoleculeObject::initialize() is now virtual. - .._molecule is now draw()ing its children, i.e. initialize() of .._molecule calls in turn those of .._atom and .._bond. Similarly with draw. - molecule has a lastchangedatom member variable now. - FIX: molecule::getBoundingSphere() did not check for no atoms. ----------------------------------------------------------------------- hooks/post-receive -- MoleCuilder
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[SCM] MoleCuilder branch GUI_TesselatedLargeMolecules deleted. v1.4.9-43-g99b1759
by git@ins.uni-bonn.de 11 Jan '15

11 Jan '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 "MoleCuilder". The branch, GUI_TesselatedLargeMolecules has been deleted was 99b1759cc8e41e6df7fbdf41b40c5c6ff40ad5b1 ----------------------------------------------------------------------- 99b1759cc8e41e6df7fbdf41b40c5c6ff40ad5b1 Added Push/PopMolecules selection action. ----------------------------------------------------------------------- hooks/post-receive -- MoleCuilder
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