Author: tlinnet
Date: Wed Jun 11 15:09:01 2014
New Revision: 23838
URL: http://svn.gna.org/viewcvs/relax?rev=23838&view=rev
Log:
Removed the slow allclose() function to test if R20A and R20B is equal.
It is MUCH faster to just subtract and check sum is not 0.0.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/lib/dispersion/cr72.py
Modified: branches/disp_spin_speed/lib/dispersion/cr72.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/cr72.py?rev=23838&r1=23837&r2=23838&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/cr72.py (original)
+++ branches/disp_spin_speed/lib/dispersion/cr72.py Wed Jun 11
15:09:01 2014
@@ -92,7 +92,7 @@
"""
# Python module imports.
-from numpy import allclose, arccosh, array, cos, cosh, isfinite, isnan,
fabs, min, max, ndarray, ones, sqrt, sum, zeros
+from numpy import arccosh, array, cos, cosh, isfinite, fabs, min, max,
sqrt, sum
from numpy.ma import fix_invalid, masked_greater_equal, masked_less,
masked_where
# Repetitive calculations (to speed up calculations).
@@ -147,7 +147,7 @@
k_AB = pB * kex
# The Psi and zeta values.
- if not allclose(r20a, r20b):
+ if sum(r20a - r20b) != 0.0:
fact = r20a - r20b - k_BA + k_AB
Psi = fact**2 - dw2 + 4.0*pA*pB*kex**2
zeta = 2.0*dw * fact
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
relax-commits@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits