[Molecuilder-devel] [SCM] branch DebianPackaging created. v1.4.10-73-g391923a

Sat May 23 23:58:31 CEST 2015

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The branch, DebianPackaging has been created
        at  391923ab6c70fce7fc420886301c9b8a1bc0be4d (commit)

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commit 391923ab6c70fce7fc420886301c9b8a1bc0be4d
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat May 23 21:04:44 2015 +0200

    Added script for creating debian package.

commit 24fcd78d341029266bd5f4b46b4a4ab5c2c2ff9a
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat May 23 11:26:47 2015 +0200

    Added debian/.. files for debian packaging.

    - added all dependencies (without JobMarket, QtGui, QWT, or vmg).

commit d3973c60b7192a8574be94bb9e6a7ab7c9312f43
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat May 23 20:32:37 2015 +0200

    FIX: bash_completion was accidentally removed by clean target.

    - also Python/boxmaker was not contained in EXTRA_DIST.

commit 984dc8b16b3ffb3e87c4c6a4947c84321771f075
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat May 23 20:32:01 2015 +0200

    DOCU: Described workaround for missing pyconfig.h.

commit ff8b451ef1bac854932f1dfb2f405a37cecb2c6d
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat May 23 16:23:14 2015 +0200

    FIX: AllPotentialHealder.hpp not excluded from CodeCheck config_h.

    - this only causes an error when not doing an out-of-source bild (which
      debuild does and that's why it came up).

commit 9ae0efcc83c4d1210debe2172c0c02d3e213c017
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Fri May 22 23:14:50 2015 +0200

    QtMoleculeItem now uses moleculeId_t instead molecule*.

commit 8382df968502806eb6c61502c1be4fdd2b7d14cc
Author: Frederik Heber <heber at 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 6c67992de3e984db28a78310cd2de095102d95b6
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 23:06:19 2015 +0200

    tempcommit: regression test maxiter, grep was wrong. Merge with ...

commit 93c2b7a091036201ebb6d0abc7b09633768c4453
Author: Frederik Heber <heber at 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 de8bd76963bd40c0c20d7ace5c335fa40c907890
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 22:56:40 2015 +0200

    Fixed ObserverLog message in GLWorldView.

commit b6936a533fd2409fd9fd349b7e9d74df6c4502a8
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 21:25:21 2015 +0200

    tempcommit: Merge with 76f50540

commit 6cb4919bd3771a9bae21d92ef1452f3f3395c685
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 21:02:57 2015 +0200

    tempcommit: createGuiChecks refreshes TESTSCRIPTS variable in Makefile.am.

commit dc984aa919e1cda66a23e3fe30e524c16eca8023
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 21:02:45 2015 +0200

    tempcommit: Merge with ffcce10e70

commit 12c5aa359a91b1fb76135d41398901c40916566a
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 21:02:13 2015 +0200

    tempcommit: Modified all scripts to call molecuilderguitest. Merge with ...

commit ffcce10e70aa0fb143d466aa9a461d5db6a09c83
Author: Frederik Heber <heber at 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 4b1e0af0dbe2c4b854d4310557826c839bd898d8
Author: Frederik Heber <heber at 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 e2afd36f264edd243bc4f9a217c2724ba16593a8
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 20:15:17 2015 +0200

    tempcommit: Removed guicheck's Makefile.in again. Merge with ...

commit 28c0b20a98eb22f6d7ce2395a8e6a00f57721822
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 20:10:49 2015 +0200

    tempcommit: Renamed molecuildergui -> molecuilderguitest.

    - also added "--test-single" to molecuildergui call.

commit 10082714bdae5d6b38dbb3e9e87d96d57e18670d
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 20:08:35 2015 +0200

    tempcommit: Forgot to add guicheck's moleculder..in to Makefile.am. Merge with ...

commit a38f29ba04abb349e9026e88cd6cd5bb07f58818
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 20:05:31 2015 +0200

    FIX: QtMoleculeListView::moleculeSelected() did not check for presence of molitem.

commit c64b132c1eb7b7fc6c4b653a0a80abac28e0f033
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 20:04:49 2015 +0200

    GLWorldScene::atomInserted() also adds NULL object to ..inSceneMap.

commit 76f50540022c3b42aa944b3bb070a67e959b72a5
Author: Frederik Heber <heber at 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 a9bd0484f2d75db5ff716a35ddf191221cfa9119
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Wed May 20 19:26:12 2015 +0200

    tempcommit: exit code is set at end of main() not by QApplication::exit(). Merge with fdc9163a

commit 2cc6dd8c84b848f354f78cbf195c6e8ccb27db1e
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Tue May 19 07:29:30 2015 +0200

    tempcommit: regression test set-parameters-mpqc had too many white spaces.

commit fdc9163a968c83b1fcd11b1decb68e1a1ffe050c
Author: Frederik Heber <heber at 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 7d1b9cb3b4a862eea4bed34d9e2a85c57a360f31
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Mon May 18 19:25:51 2015 +0200

    tempcommit: GuiChecks updated and several files excluded.

    - options-no-elements.db and options-empty-configs works with faulty arguments.
      This cannot be replicated with molecuildergui.
    - all load- and store-sessions removed due to (then) multiply occurrences of
      said action (we need store-session to create the script for molecuildergui).
    - dry-run will not cause errors, hence error code of script creation call must
      always be 0.

commit c83704790cd63baa4cbf062d5713e656a72fe316
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun May 17 19:49:55 2015 +0200

    FIX: regression test Save Bonds used direct molid of 0.

    - this might break things in guichecks, using last molid "-1" rather.

commit ab329a3a40e30ece93315c822657608ab37bae42
Author: Frederik Heber <heber at 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 5466c027b94e0250fdd2b45327250fe32571acca
Author: Frederik Heber <heber at 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.

commit 4381f2915ea08cdf2cebb64cbda7dfe24ad9f722
Merge: 0e215c4 19dfdf7
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Tue May 19 10:36:40 2015 +0200

    Merge branch 'GUI_niceties' into Candidate_v1.4.11

commit 0e215c4b11e0d5bf05ea02a0d21751df53df7164
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun May 17 09:34:31 2015 +0200

    Added "--testsingle" switch for line-by-line execution.

    - QTUIFactory checks for additional "single" and activates then a special
      mode which uses the newly split executePythonScript.

commit df465515851aceb1eaaee1ccf579c7fc9497fa3e
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun May 17 15:50:53 2015 +0200

    Replaced Query.. class and query..() function declarations in Dialog.. by boost preprocessor magic.

    - this removes a lot of copy&paste code.

commit c57e955b7fe9d9590fa5a00d73cda68a161a70aa
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun May 17 06:24:19 2015 +0200

    Replaced all std::string by ParameterPair where used as ("key = value;") tuples.

    - this fixes an issue with vectors of key-value-pairs converted into a single
      string for use in a python command.

commit 9e79aceda2881e5c92afd7a73369cc7e7f0a43ee
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun May 17 06:22:43 2015 +0200

    Added ParameterPair (i.e. "key = value;") to allow other string output.

    - this will solve the problem of vectors of key-value-pairs not properly
      converted into a single string because of missing semicolon.
    - FIX: toCLIString used functions toPythonString if possible.

commit 882f7c73301d81c9d7e7104661a94432a7724bf0
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Fri May 15 10:22:40 2015 +0200

    Added all new guichecks regression tests generated from createGuiChecks.sh script.

commit 58798be154020b7ca815a9af55d86bea35036861
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Fri May 15 10:03:03 2015 +0200

    Added script file to generate guichecks testsuite from regression tests.

commit abb9b3569975869402de407eb187cda8073f196c
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Fri May 15 09:12:44 2015 +0200

    Added DryRun and NoDryRun actions.

    - actions (un)set a flag inside ActionQueue to which only those permitted by an
      advocate pattern have access.
    - added testsuite tests for both dry-run, no-dry-run, and storing sessions.
    - explained use of action in userguide.

commit 19dfdf7a57ea6922cc8f70fc0fcfc9892599fb26
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Fri Oct 17 15:41:21 2014 +0200

    Increased timer interval in QtStatusBar to 4secs.

commit 503a7fd9b90c9c871ec1e80dea6741c91ba86625
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun Feb 8 13:05:08 2015 +0100

    FIX: QtMoleculeList hiccup'ed on update-molecules for two water molecules.

    - the problem is that readdItems() adds the group item that is later gonna be
      removed anyway and hence causes a segfault in the next update. This is fixed.

commit 5dcb3c5962bb64ba0c108d3eb380e55e5dea7dc6
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun Feb 8 12:59:48 2015 +0100

    QtInfoBox shows Atom's position components separately and molecule's center.

    - single vector is hardly readible because infobox is very slim.
    - increased minimum height of QtInfoBox a bit to have all values showing.

commit b8463f9359f589186af2a8ff5c8cd1b7e2510ed9
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sun Feb 8 12:19:55 2015 +0100

    FIX: RotateAroundSelf converted rotation angle to rad in params.

    - this caused wrong angles written in StoreSession (in radian and not in degree
      as expected). This fixes ticket #251.

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