relax SVN archive

Merged revisions 20187 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r20187 | bugman | 2013-06-18 10:00:50 +0200 (Tue, 18 Jun 2013) | 17 lines

Fix for bug #20915, (https://gna.org/bugs/?20915) - Failure of Grace opening in MS Windows

Troels E. Linnet provided this patch, and was discovered during work on a Windows 7 system: telinnet
aaattt bio_dot_ku_dot_dk

This is a small fix for a wrong call to "raise RelaxMissingBinaryError(binary)", when issuing an
external call to xmgrace.

The "path_sep" would be equal = [\/], and the RE search would not find(True) the full path specified
for the xmgrace file. This is now shifted to python: os.path.isfile
http://docs.python.org/2/library/os.path.html

Another fix, is that as a standard the command "xmgrace" is provided. This will work fine through
windows cmd, but the true name for program in windows is "xmgrace.exe", and so an additional search
for +".exe" is also performed.
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Fix for bug #20915, (https://gna.org/bugs/?20915) - Failure of Grace opening in MS Windows

Troels E. Linnet provided this patch, and was discovered during work on a Windows 7 system: telinnet
aaattt bio_dot_ku_dot_dk

This is a small fix for a wrong call to "raise RelaxMissingBinaryError(binary)", when issuing an
external call to xmgrace.

The "path_sep" would be equal = [\/], and the RE search would not find(True) the full path specified
for the xmgrace file. This is now shifted to python: os.path.isfile
http://docs.python.org/2/library/os.path.html

Another fix, is that as a standard the command "xmgrace" is provided. This will work fine through
windows cmd, but the true name for program in windows is "xmgrace.exe", and so an additional search
for +".exe" is also performed.

Added support for converting between kex and tex, and pA and pB for the dispersion analysis.

This is performed by the new specific_analyses.relax_disp.parameters.param_conversion() function.
For this, most of the code from the assemble_param_vector() function has been shifted into
get_value(), and most of disassemble_param_vector() into set_value(). The dispersion analysis now
also has a custom sim_init_values() method to handle these parameters.

Removed many decimal points from the MHz value in the Grace plots from relax_disp.plot_disp_curves.

Merged revisions 20180-20181 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r20180 | bugman | 2013-06-17 15:51:40 +0200 (Mon, 17 Jun 2013) | 3 lines

The rdc.corr_plot user function can now handled T=J+D type data.
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r20181 | bugman | 2013-06-17 16:16:21 +0200 (Mon, 17 Jun 2013) | 3 lines

The N-state model analysis can now handle RDC data of mixed D and T=J+D.
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The Monte Carlo simulations now generate parameter errors for the relaxation dispersion analysis.

The simulation index was being ignored, hence the input data was never the randomised data and all
errors were zero.

The relaxation dispersion auto-analysis now outputs text and Grace files for all parameters.

This is in response to bug #20917 (https://gna.org/bugs/?20917) submitted by Troels Linnet
(https://gna.org/users/tlinnet).

The N-state model analysis can now handle RDC data of mixed D and T=J+D.

The rdc.corr_plot user function can now handled T=J+D type data.

Merged revisions 20178 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r20178 | bugman | 2013-06-17 15:23:40 +0200 (Mon, 17 Jun 2013) | 5 lines

The lib.io.open_write_file() function now catches file names of None and raises a RelaxError.

This is useful for the GUI if the user forgets to select a file name.
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