Hi Edward.
The NS CPMG 2site extended is a good case.
It will make a underflow for kex as low as 1e4.
File
"/Users/tlinnet/software/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_expanded.py",
line 180, in test_ns_cpmg_2site_expanded_no_rex8
self.calc_r2eff()
File
"/Users/tlinnet/software/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_expanded.py",
line 58, in calc_r2eff
R2eff = r2eff_ns_cpmg_2site_expanded(r20=self.r20, pA=self.pA,
dw=dw_frq, k_AB=k_AB, k_BA=k_BA, relax_time=0.3, inv_relax_time=1/0.3,
tcp=self.tcp, num_points=self.num_points, num_cpmg=self.num_cpmg)
File
"/Users/tlinnet/software/disp_speed/lib/dispersion/ns_cpmg_2site_expanded.py",
line 298, in r2eff_ns_cpmg_2site_expanded
t28 = exp(-(t17 + k_AB_plus_k_BA_minus_t4) * half_tcp)
FloatingPointError: underflow encountered in exp
And, the test is extremely fast. So I would rather keep it, as a last
line of defence.
Best
Troels
2014-05-28 12:10 GMT+02:00 Edward d'Auvergne <[email protected]>:
> Hi,
>
> Do you have an example where infinite or NaN values appear? I think
> that with the 'No Rex' checks, we now 100% avoid these. So I believe
> that all Inf and NaN values came from the parameter values dw == 0.0
> or pA == 1.0 or kex == 0.0 or phi_ex = 0.0 causing a failure in the
> original dispersion equations. That is what this patch demonstrates -
> for all cases in the test suite, there is no longer any Inf or NaN
> values :) At least for the models we check for no exchange
> conditions.
>
> Regards,
>
> Edward
>
>
>
>
>
> On 28 May 2014 12:01, Troels Emtekær Linnet <[email protected]> wrote:
>> Hi Edward.
>>
>> I cannot accept the patch.
>>
>> It removes all the isfinite(sum(R1rho)) tests I have put in.
>>
>> Best
>> Troels
>>
>>
>> 2014-05-28 11:53 GMT+02:00 Edward d Auvergne
>> <[email protected]>:
>>> Follow-up Comment #86, task #7793 (project relax):
>>>
>>> I have modified the patch for the latest version of the disp_speed branch
>>> (r23503).
>>>
>>> (file #20827)
>>> _______________________________________________________
>>>
>>> Additional Item Attachment:
>>>
>>> File name: patch_check_removal2 Size:10 KB
>>>
>>>
>>> _______________________________________________________
>>>
>>> Reply to this item at:
>>>
>>> <http://gna.org/task/?7793>
>>>
>>> _______________________________________________
>>> Message sent via/by Gna!
>>> http://gna.org/
>>>
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