Difference between revisions of "Relax 1.2.3"

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* The [http://www.nmr-relax.com/manual/value_read.html 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 [http://www.nmr-relax.com/manual/value_read.html 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'.
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* The model-free spectral density function 'calc_S2f_S2s_ts_djw_dS2s' does not exist. Therefore when using the model with the parameters ''{S<sub>f</sub><sup>2</sup>, S<sub>s</sub><sup>2</sup>, &tau;<sub>s</sub>}'', 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'.
 
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Revision as of 17:55, 6 September 2014


Description

This is a bug fix release which corrects a segfault crash of the exponential relaxation curve-fitting modules. The bug was 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 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 {Sf2, Ss2, τs}, 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'.


See also