relax SVN archive

Merged revisions 11888 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r11888 | bugman | 2010-12-17 20:19:26 +0100 (Fri, 17 Dec 2010) | 3 lines

Fix for script execution - the extension check for '.py' was incorrect!
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Fix for script execution - the extension check for '.py' was incorrect!

Merged revisions 11886 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r11886 | bugman | 2010-12-17 19:59:11 +0100 (Fri, 17 Dec 2010) | 9 lines

Fix for bug #17343 (https://gna.org/bugs/?17343).

This bug was reported by Vitaly Vostri <vvostri att gmail dott com>, also in the mailing list
message https://mail.gna.org/public/relax-users/2010-12/msg00005.html.

The 'CH2' and 'OT' atoms have been added to the internal PDB reader, for those incomplete PDB files
in which the element column is missing.
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Fix for bug #17343 (https://gna.org/bugs/?17343).

This bug was reported by Vitaly Vostri <vvostri att gmail dott com>, also in the mailing list
message https://mail.gna.org/public/relax-users/2010-12/msg00005.html.

The 'CH2' and 'OT' atoms have been added to the internal PDB reader, for those incomplete PDB files
in which the element column is missing.

Fix for bug #17320 (https://gna.org/bugs/?17320).

This code is not used by any part of the GUI. This revision could be reverted in the future if
the GUI is designed to use this. Until then, this action is very confusing and unnecessary, as many
users use programs other than relax to determine the relaxation rates.

The dauvergne_protocol auto-analysis results can now be located in a directory other the cwd.

The getcwd() command was being used to determine if certain models had been previously optimised.
But if 'save_dir' had been set, then the results of these models would not be in the path of
getcwd(). This behaviour is now fixed.

Fixed the 'Parameter file settings' dialog.

This dialog was killed by r11823 (https://mail.gna.org/public/relax-commits/2010-12/msg00123.html).

The problem was two fold. Firstly the settings were not being placed into the relax data store, but
instead in a copy of the relevant data structure. Secondly blank entries were fatal for both the
conversion to int and conversion back again.

Fix for the 'Parameter file setttings' dialog.

The columns could not be set to nothing, as the int() function was used to convert the value. This
would result in a ValueError. Instead the misc.gui_to_int() function has been written to perform
the proper conversion.

Bug fix for the Inputfile.__init__() method - the self argument always comes first!

Merged revisions 11879 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r11879 | bugman | 2010-12-17 17:10:39 +0100 (Fri, 17 Dec 2010) | 3 lines

Added a check that the script ends in '*.py'.
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