Re: Too long computational time

2014-07-22 Thread Edward d'Auvergne
Hi Olena, Welcome to the relax mailing lists! The list you have posted to is that for relax software development, but you are probably after the list for relax users. Would you be able to create a new message to the relax-users mailing list instead (https://mail.gna.org/listinfo/relax-users/),

Re: r24623 - /branches/disp_spin_speed/lib/dispersion/lm63.py

2014-07-22 Thread Edward d'Auvergne
Hi Troels! It looks like you're back :) I hope you had a great holiday! Just so you know, it'll be my turn in a week and a half. Did you see my message at http://article.gmane.org/gmane.science.nmr.relax.devel/6491 ? I think that if we include both sets of changes, it would really increase

Re: r24622 - /branches/disp_spin_speed/lib/dispersion/lm63_3site.py

2014-07-22 Thread Edward d'Auvergne
Hi Troels, For this change, the spacing in i = 2 is not necessary in the equation and it makes it wider than the sum symbol which should not be the case. In such docstring equations, the code validation script gives lots of false positives that you can ignore. Cheers, Edward On 22 July 2014

Re: r24628 - /branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_expanded.py

2014-07-22 Thread Edward d'Auvergne
Hi Troels, For this change, it might be better to revert it. This changes the original Maple script from Nikolai Skrynnikov which I simply copied and pasted unmodified. It's not very important, but it might be useful to preserve the original form. Cheers, Edward On 22 July 2014 16:51,

Re: r24636 - /branches/disp_spin_speed/lib/dispersion/two_point.py

2014-07-22 Thread Edward d'Auvergne
This change will also be problematic having \ at the end of the line. Regards, Edward On 22 July 2014 16:51, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Tue Jul 22 16:51:57 2014 New Revision: 24636 URL: http://svn.gna.org/viewcvs/relax?rev=24636view=rev Log: Code validation of

Re: r24336 - /branches/disp_spin_speed/target_functions/relax_disp.py

2014-07-22 Thread Troels Emtekær Linnet
2014-06-27 17:28 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Also the documentation in the get_back_calc() method of the target function needs a little polish - it is not a float that is returned. So, the running list: - Some modules have = operators outside of functions that need

Re: r24336 - /branches/disp_spin_speed/target_functions/relax_disp.py

2014-07-22 Thread Troels Emtekær Linnet
Hi Ed. I wont change anymore. This development line is way overdue. Best Troels 2014-06-27 18:03 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Here is one more point. For the DPL94 model, the denominator is kex**2 + spin_lock_fields**2. This can only be zero when kex is zero, and then

Re: r24336 - /branches/disp_spin_speed/target_functions/relax_disp.py

2014-07-22 Thread Edward d'Auvergne
Hi, It all looks good, but you just have a few fixes for the last few commits with the broken equations in docstrings due to spacing changes. You can find these with: $ grep $ lib/dispersion/* $ grep i = 2 lib/dispersion/* I have some more responses below: - There are some empty lines

[task #7807] Speed-up of dispersion models for Clustered analysis

2014-07-22 Thread Troels E. Linnet
Follow-up Comment #486, task #7807 (project relax): This development branch is now complete, and I ask for merge to trunk. ___ Reply to this item at: http://gna.org/task/?7807 ___ Message