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SVN archive Commit Log


Commit Date  
[r2378] by bugman

The value reading function can now handle rows which contain no data.

2006-03-08 07:35:55 Tree
[r2377] by bugman

Removed many small bugs in the Sconstruct script.

2006-03-08 07:34:56 Tree
[r2376] by bugman

Updated the manual and version number to 1.2.3. Also, many parts of the Sconstruct script have been
fixed.

2006-03-02 01:23:40 Tree
[r2375] by bugman

relax version 1.2.3.

This is a bug fix release which fixes segfault crashes of the exponential relaxation curve-fitting
modules introduced by the shift from the makefile to Sconstruct build system. The full
descriptions of all bug fixes are:

Sconstruct now does not use the '-fPIC' option during compilation which caused the exponential
relaxation curve-fitting modules to segfault.

The distribution binary and source file creation Sconstruct functions now properly compress the
archives.

The printout of the 'relax_fit.select_model()' function has been fixed.

The sconstruct script can now execute the fetch_docstrings code. The path previously did not
include the current working directory and hence the module could not be imported.

Unselected residues are now properly ignored for the value.read() function as well as all the Dasha
functions.

The value.read() function contained a bug where the residue number from the file was not being read.
Instead the integer position within the file was being used as the residue number.

The model-free spectral density function 'calc_S2f_S2s_ts_djw_dS2s' does not exist. Therefore when
using the model with the parameters {S2f, S2s, ts}, the program would throw an error and stop. The
function is actually 'calc_S2f_tf_S2s_ts_djw_dS2s'. The factor 'data.s2f_s2' also had to be
calculated in 'maths_fns/jw_mf_comps.py'.

2006-03-01 04:36:38 Tree
[r2374] by bugman

Bug fixes:

Sconstruct now does not use the '-fPIC' option during compilation which caused the exponential
relaxation curvefitting modules to segfault.

The distribution binary and source file creation Sconstruct functions now properly compress the
archives.

The printout of the 'relax_fit.select_model()' function has been fixed.

2006-03-01 04:12:10 Tree
[r2373] by bugman

A number of bug fixes:

The sconstruct script can now execute the fetch_docstrings code. The path previously did not
include the current working directory and hence the module could not be imported.

Unselected residues are now properly ignored for the value.read() function as well as all the Dasha
functions.

The value.read() function contained a bug where the residue number from the file was not being read.
Instead the integer position within the file was being used as the residue number.

The model-free spectal density function 'calc_S2f_S2s_ts_djw_dS2s' does not exist. Therefore when
using the model with the parameters {S2f, S2s, ts}, the program would throw an error and stop. The
function is actually 'calc_S2f_tf_S2s_ts_djw_dS2s'. The factor 'data.s2f_s2' also had to be
calculated in 'maths_fns/jw_mf_comps.py'.

2006-02-24 05:24:28 Tree
[r2372] by bugman

Updated the manual and version number to 1.2.2.

2006-02-20 06:18:44 Tree
[r2371] by bugman

relax version 1.2.2.

This release improves compatibility for different operating systems including Unix, Mac OS X, and
Windows. To achieve this, the make system has been replaced by the Sconstruct system. Both the
Dasha and Modelfree4 functions have been significantly improved. A number of bugs have also been
fixed including:

The automatically generated Dasha script has been fixed. Previously the optimise command used was
'min all' or 'lmin all'. This is incorrect and the proper syntax is 'min m n' or 'lmin m n' where m
is the first residue number while n is the last.

The code of 'generic_fns/value.py', 'generic_fns/diffusion_tensor.py', and
'specific_fns/model_free.py' has been fixed to properly handle the local tm parameter as well as the
global tm parameter.

The local tm parameter can now also be part of the parameter set for an OpenDX map of the
chi-squared space.

The optimisation code has been fixed to handle the unstable, broken Numeric Python packages so that
the Cholesky Hessian modification works again and the eigenvalue decomposition (which now freezes
Python) is avoided.

The file 'generic_fns/palmer.py' has been modified to gracefully handle a Modelfree4 bug whereby the
'mfout' output file has been corrupted due to the fusion of columns.

2006-02-20 05:43:59 Tree
[r2370] by bugman

A bug fix and a few added features:

The Dasha execute function has been updated to follow the lead of the Modelfree4 equivalent function
whereby a non-standary binary executable Dasha file can be specified.

The Dasha sample script has been significantly modified to optimise a series of model-free models.

The OpenDX surfaces have had their opacity levels changed to better veiw the curvature of the space.

The automatically generated Dasha script has been fixed. Previously the optimise command used was
'min all' or 'lmin all'. This is incorrect and the proper syntax is 'min m n' or 'lmin m n' where
m is the first residue number while n is the last.

2006-02-20 05:00:31 Tree
[r2369] by bugman

Bug fixes:

The code of 'generic_fns/value.py', 'generic_fns/diffusion_tensor.py', and
'specific_fns/model_free.py' has been fixed to properly handle the local tm parameter as well as the
global tm parameter.

The local tm parameter can now also be part of the parameter set for an OpenDX map of the
chi-squared space.

2006-02-15 01:51:08 Tree
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