# # ChangeLog for utils # # Generated by Trac 1.4.4 # Mar 24, 2025, 11:32:10 AM Thu, 02 Mar 2017 14:02:47 GMT Frederik Heber <heber@…> [719979] * utils/Bash/Makefile.am (modified) FIX: bash_completion is no longer installed in bin. Thu, 02 Mar 2017 14:02:47 GMT Frederik Heber <heber@…> [161fed] * utils/Python/Makefile.am (modified) FIX: boxmaker is no longer installed in bin. Wed, 18 May 2016 22:03:03 GMT Frederik Heber <heber@…> [2fe4a5] * tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified) * tests/regression/Filling/FillSurface/testsuite-fill-surface-micelle.at (modified) * tests/regression/Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at (modified) * tests/regression/Filling/RegularGrid/testsuite-fill-regular-grid.at (modified) * tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified) * tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at (modified) * tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (modified) * tests/regression/Parser/Tremolo/testsuite-parser-tremolo-improper.at (modified) * utils/Python/boxmaker.py.in (modified) TESTFIX: Changed all parse-tremolo-potential calls to parse-particle- ... Fri, 07 Aug 2015 22:38:46 GMT Frederik Heber <heber@…> [b8f0a8d] * utils/Bash/Makefile.am (modified) * utils/Python/Makefile.am (modified) FIX: bash_completion was accidentally removed by clean target. - ... Wed, 05 Aug 2015 17:32:13 GMT Frederik Heber <heber@…> [b9e47e] * tests/GuiChecks/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (modified) * tests/GuiChecks/Molecules/Translation/testsuite-molecules-translation.at (modified) * utils/developer/createGuiChecks.sh (modified) TESTFIX: Marked molecule translation guicheck tests as XFAIL. - so ... Thu, 23 Jul 2015 22:34:39 GMT Frederik Heber <heber@…> [599b32] * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cube.at (modified) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cylinder.at (modified) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-everywhere.at (modified) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-micelle.at (modified) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-nowhere.at (modified) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-sphere.at (modified) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cube.at (modified) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cylinder.at (modified) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-everywhere.at (modified) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-nowhere.at (modified) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-sphere.at (modified) * tests/GuiChecks/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at (modified) * tests/GuiChecks/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) * utils/developer/createGuiChecks.sh (modified) FIX: createGuiChecks can handle multi-lines. - also we reduce ... Thu, 11 Jun 2015 23:21:41 GMT Frederik Heber <heber@…> [fae462] * tests/GuiChecks/Makefile.am (modified) * utils/developer/createGuiChecks.sh (added) Added script file to generate guichecks testsuite from regression ... Sun, 19 Oct 2014 17:13:11 GMT Frederik Heber <heber@…> [991c35] * utils/developer/tcl/analyseconvexizing.tcl (added) * utils/developer/tcl/convexizing.tcl (added) Added tcl scripts for viewing and debugging convexized surfaces. Sun, 19 Oct 2014 17:13:09 GMT Frederik Heber <heber@…> [cead3f] * doc/userguide/userguide.xml (modified) * utils/developer/raster3d/header.r3d (added) FIX: Raster3D needs header.r3d, which had been missing so far. Tue, 20 May 2014 09:14:56 GMT Frederik Heber <heber@…> [415ddd] * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/Python/Makefile.am (modified) * src/Python/PythonScripting_impl.hpp (modified) * src/Python/wait.cpp (added) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) * src/builder_init.hpp (modified) * src/cleanUp.cpp (modified) * src/cleanUp.hpp (modified) * src/documentation/Makefile.am (modified) * src/documentation/userinterfaces/python.dox (modified) * tests/regression/Options/Session/pre/complexwait.py (added) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * utils/Python/boxmaker.py.in (modified) ActionQueue now contains a run thread. - otherwise the progress bar ... Tue, 20 May 2014 08:47:10 GMT Frederik Heber <heber@…> [cc6e5c] * src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (deleted) * src/Actions/AnalysisAction/CalculateBoundingBoxAction.hpp (deleted) * src/Actions/AnalysisAction/CalculateCellVolumeAction.def (deleted) * src/Actions/AnalysisAction/CalculateCellVolumeAction.hpp (deleted) * src/Actions/AnalysisAction/CalculateMolarMassAction.def (deleted) * src/Actions/AnalysisAction/CalculateMolarMassAction.hpp (deleted) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/Reaction.hpp (deleted) * src/Actions/Reaction_impl.hpp (deleted) * src/Actions/Reaction_impl_header.hpp (deleted) * src/Actions/Reaction_impl_pre.hpp (deleted) * src/Actions/pyMoleCuilder.cpp (deleted) * src/Makefile.am (modified) * src/Python/Makefile.am (modified) * src/Python/PythonScripting_impl.hpp (modified) * src/Python/exit.cpp (added) * src/Python/getBoundingBox.cpp (moved) * src/Python/getDomainVolume.cpp (moved) * src/Python/getSelectedMolarMass.cpp (moved) * src/Python/modules.hpp (added) * src/Python/reinit.cpp (added) * tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (modified) * tests/regression/Analysis/CalculateBoundingBox/testsuite-analysis-calculate-bounding-box.at (deleted) * tests/regression/Analysis/CalculateCellVolume/testsuite-analysis-calculate-cell-volume.at (deleted) * tests/regression/Analysis/CalculateMolarMass/pre/argon.xyz (deleted) * tests/regression/Analysis/CalculateMolarMass/pre/water.xyz (deleted) * tests/regression/Analysis/CalculateMolarMass/testsuite-analysis-calculate-molar-mass.at (deleted) * tests/regression/Analysis/testsuite-analysis.at (modified) * tests/regression/Makefile.am (modified) * utils/Python/boxmaker.py.in (modified) Replaced Reactions by simple function exported to pyMoleCuilder. - ... Wed, 17 Apr 2013 18:56:05 GMT Frederik Heber <heber@…> [0773bd] * src/Tesselation/CandidateForTesselation.cpp (modified) * utils/developer/tcl/README (added) * utils/developer/tcl/animatesphere.tcl (added) * utils/developer/tcl/showsurface.tcl (added) * utils/developer/tcl/surfacing.tcl (added) Added Tcl scripts used for visualizing faulty rolling spheres or the ... Fri, 14 Dec 2012 17:40:29 GMT Frederik Heber <heber@…> [97a858] * utils/developer/CheckAllPossibleEnables.sh (added) * utils/developer/CheckMolecuilderCommitRanges.sh (added) * utils/developer/CheckMolecuilderEnables.sh (added) * utils/developer/CheckMolecuilderWithPrefetchedPackages.sh (added) * utils/developer/README (added) Added some developer scripts to check on commits and releases. Thu, 09 Aug 2012 12:51:10 GMT Michael Ankele <ankele@…> [072f0e] * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/WorldAction/OutputAsAction.cpp (moved) * src/Actions/WorldAction/OutputAsAction.def (moved) * src/Actions/WorldAction/OutputAsAction.hpp (moved) * tests/Python/AllActions/missing.dat (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at (modified) * tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at (modified) * tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at (modified) * tests/regression/Parser/Psi3/testsuite-parser-psi3-save.at (modified) * tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at (modified) * tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at (modified) * utils/Python/boxmaker.py.in (modified) Refactoring: renamed OutputAction -> OutputAsAction Thu, 05 Jan 2012 12:44:07 GMT Frederik Heber <heber@…> [9fd196] * configure.ac (modified) * tests/Python/BoxMaker/testsuite-python-boxmaker.at (modified) * utils/Bash/Makefile.am (added) * utils/Bash/bash_completion (added) * utils/Makefile.am (modified) * utils/Python/HOWTO-boxmaker (moved) * utils/Python/Makefile.am (added) * utils/Python/boxmaker.py.in (moved) * utils/Python/python_wrapper.in (moved) Added bash_completion file. - use as . utils/Bash/bash_completion, ... Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <heber@…> [c015b3] * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * tests/Makefile.am (modified) * tests/Python/AllActions/getPossibleOptions.sh (moved) * tests/Python/AllActions/listcmds.py (moved) * tests/Python/AllActions/missing.dat (moved) * tests/Python/AllActions/moltest.py (moved) * tests/Python/AllActions/moltest_check.py (moved) * tests/Python/AllActions/options.dat (moved) * tests/Python/AllActions/testsuite-python-allactions.at (added) * tests/Python/AllActions/testsuite-python-options_dat.at (added) * tests/Python/BoxMaker/post/out.data (moved) * tests/Python/BoxMaker/post/out.xyz (moved) * tests/Python/BoxMaker/pre/argon.data (moved) * tests/Python/BoxMaker/pre/argon.potentials (moved) * tests/Python/BoxMaker/pre/argon.tremolo (moved) * tests/Python/BoxMaker/testsuite-python-boxmaker.at (added) * tests/Python/CommandHelp/testsuite-python-commandhelp.at (moved) * tests/Python/Makefile.am (added) * tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (moved) * tests/Python/atlocal.in (added) * tests/Python/run.in (moved) * tests/Python/testsuite.at (added) * tests/regression/Makefile.am (modified) * tests/regression/Python/AllActions/testsuite-python-allactions.at (deleted) * tests/regression/Python/AllActions/testsuite-python-options_dat.at (deleted) * tests/regression/Python/BoxMaker/testsuite-python-boxmaker.at (deleted) * tests/regression/Python/testsuite-python.at (deleted) * tests/regression/testsuite.at (modified) * utils/Makefile.am (modified) Added enable-switches for Qt-based GUI and python module and scripts. ... Thu, 10 Nov 2011 11:23:49 GMT Frederik Heber <heber@…> [04e1fb] * configure.ac (modified) * utils/Makefile.am (modified) * utils/python_wrapper.in (added) Added rules to utils/Makefile.am such that python script can be ... Thu, 10 Nov 2011 10:21:23 GMT Frederik Heber <heber@…> [938ffd] * Makefile.am (modified) * configure.ac (modified) * utils/Makefile.am (added) Added Makefile to utils to install python scripts. Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [f894fe] * utils/boxmaker.py.in (modified) Changed GetSourceMolareMass() and GetSourceBBabs() of boxmaker.py. ... Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [2aa9ef] * utils/boxmaker.py.in (modified) UpdateSource function of boxmaker.py is not an external call to ... Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [bcfb77] * configure.ac (modified) * utils/boxmaker.py.in (moved) Added correct shebang to boxmaker.py. - also configure fills in ... Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [239cc5] * utils/boxmaker.py (modified) Didn't save the file -.-" Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [bfbb62] * utils/boxmaker.py (modified) Final version 1.0 - Added shebang line - Added short file ... Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [c0c85f] * utils/boxmaker.py (modified) Restructured Code - temp_source.xyz is created only once - boolean ... Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [b82ede] * utils/HOWTO-boxmaker (added) Very basic documentation on how to use boxmaker Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [0ad49c] * utils/boxmaker.py (modified) Update: Automatic mass calculation Also: - Shortcut for every option Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [39cbae] * utils/boxmaker.py (modified) Update: Unit handling - temp might have a dimension now - Leading ... Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [751d7f1] * utils/boxmaker.py (modified) Update: Shortcuts for common Parameters Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [32bc47] * utils/boxmaker.py (modified) Update: autorotate Not tested yet, but it seems like it does ... Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [0c83d8] * utils/boxmaker.py (modified) Less ugly advanced version - Class (struct) based global options - ... Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [5735ba] * utils/boxmaker.py (added) Ugly base version of boxmaker.py TODO: - stability fixes - ...