Re: r24323 - in /branches/disp_spin_speed: dep_check.py target_functions/relax_disp.py

2014-06-27 Thread Troels Emtekær Linnet
Hi ed. I have already been looking at the systemtests. Our server has numpy 1.4.1 But some of the analytical models fails as well, since 1.4.1 does not recognise the 'out' keyword. Sigh... 2014-06-26 17:26 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Hi, I can look at it later. For

Re: r24323 - in /branches/disp_spin_speed: dep_check.py target_functions/relax_disp.py

2014-06-27 Thread Edward d'Auvergne
Hi Troels, This is ok. If you would like to have the relax numpy dependency increased to 1.6, then you'll just have to blacklist all system tests that do not work, so they obtain a printout at the end that X number of tests were skipped due to numpy 1.6. Then on the website and in the manual,

Skipping unit tests

2014-06-27 Thread Troels Emtekær Linnet
Hej Edward. How do I skip unit tests? Best Troels ___ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the

Re: r24339 - /branches/disp_spin_speed/test_suite/system_tests/relax_disp.py

2014-06-27 Thread Edward d'Auvergne
Wow, are their any dispersion models that can be used in this case? If not, we should probably add a specific_analyses.relax_disp.checks.check_numpy_out() function which raises a RelaxError when the out argument is unavailable. This function can then be called at the start of any relaxation

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: r24323 - in /branches/disp_spin_speed: dep_check.py target_functions/relax_disp.py

2014-06-27 Thread Edward d'Auvergne
Hi Troels, Because of the change http://www.mail-archive.com/relax-commits@gna.org/msg21976.html, the changes of r24323 are now redundant so you can revert them. Cheers, Edward On 25 June 2014 19:31, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Wed Jun 25 19:31:40 2014 New

Re: r24339 - /branches/disp_spin_speed/test_suite/system_tests/relax_disp.py

2014-06-27 Thread Edward d'Auvergne
Hi Troels, Again because of the strict numpy = 1.6 requirement now found in relax, this change is also not required and can be reverted. Cheers, Edward On 27 June 2014 12:58, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Fri Jun 27 12:58:29 2014 New Revision: 24339 URL:

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:

Re: r24337 - /branches/disp_spin_speed/dep_check.py

2014-06-27 Thread Edward d'Auvergne
Hi Troels, This commit is also no longer required because of http://www.mail-archive.com/relax-commits@gna.org/msg21976.html. Feel free to revert. Regards, Edward On 27 June 2014 12:58, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Fri Jun 27 12:58:24 2014 New Revision: 24337