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

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

2014-06-27 Thread Troels Emtekær Linnet
Hi Ed. You can just grep for out or einsum in lib/dispersion. Best Troels 2014-06-27 14:15 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Hi Troels, I think if would be better if we caught this earlier, specifically the select_model() method of the specific_analyses.relax_disp.uf module

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

2014-06-27 Thread Edward d'Auvergne
Hmmm: $ grep -c out=\|einsum lib/dispersion/* lib/dispersion/b14.py:0 lib/dispersion/cr72.py:2 lib/dispersion/dpl94.py:0 lib/dispersion/__init__.py:0 lib/dispersion/it99.py:0 lib/dispersion/lm63_3site.py:0 lib/dispersion/lm63.py:0 lib/dispersion/m61b.py:0 lib/dispersion/m61.py:0

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

2014-06-27 Thread Troels Emtekær Linnet
This sounds good. What is needed to be done, to merge disp_spin_speed in trunk now? Best Troels 2014-06-27 15:53 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Hmmm: $ grep -c out=\|einsum lib/dispersion/* lib/dispersion/b14.py:0 lib/dispersion/cr72.py:2 lib/dispersion/dpl94.py:0

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

2014-06-27 Thread Edward d'Auvergne
Let me see. You've covered most of the running list, there's just one or two things left. I'll add a few more trivial things as well. - Some modules have = operators outside of functions that need spaces around them. - Trailing whitespace, most of it is in the trunk, but there are some new

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

2014-06-27 Thread Edward d'Auvergne
To add to the list of trivialities to fix: - The 'chi2_sum' initialisation in func_ns_mmq_2site() should go. Cheers, Edward On 27 June 2014 17:23, Edward d'Auvergne edw...@nmr-relax.com wrote: Let me see. You've covered most of the running list, there's just one or two things left. I'll

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

2014-06-27 Thread Edward d'Auvergne
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 spaces around them. - Trailing whitespace, most of it is in the trunk, but

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

2014-06-27 Thread Edward d'Auvergne
There are also a number of double spacing issues. You can find these by running: $ ./devel_scripts/code_validator lib/dispersion/b14.py $ ./devel_scripts/code_validator lib/dispersion/cr72.py Etc. Some things can be ignored, like the capitals in the function name and double spacing or trailing

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

2014-06-27 Thread Edward d'Auvergne
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 there should be no exchange. Therefore we can add a kex == 0 check at the start to return R1_R2 and then delete the mask_denom_zero logic. This should

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

2014-06-27 Thread Edward d'Auvergne
This change is also redundant thanks to http://www.mail-archive.com/relax-commits@gna.org/msg21976.html. Regards, Edward On 27 June 2014 12:58, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Fri Jun 27 12:58:22 2014 New Revision: 24336 URL: