r24619 - /branches/disp_spin_speed/lib/dispersion/b14.py -- July 22, 2014 - 16:51

Author: tlinnet
Date: Tue Jul 22 16:51:26 2014
New Revision: 24619

URL: http://svn.gna.org/viewcvs/relax?rev=24619&view=rev
Log:
Code validation of lib/dispersion/b14.py.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/lib/dispersion/b14.py

Modified: branches/disp_spin_speed/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/b14.py?rev=24619&r1=24618&r2=24619&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/b14.py      (original)
+++ branches/disp_spin_speed/lib/dispersion/b14.py      Tue Jul 22 16:51:26 
2014
@@ -115,6 +115,7 @@
 
 # Repetitive calculations (to speed up calculations).
 g_fact = 1/sqrt(2)
+
 
 def r2eff_B14(r20a=None, r20b=None, pA=None, dw=None, dw_orig=None, 
kex=None, ncyc=None, inv_tcpmg=None, tcp=None, back_calc=None):
     """Calculate the R2eff values for the CR72 model.
@@ -210,7 +211,7 @@
 
     # Derived from relaxation.
     # E0 = -2.0 * tcp * (F00R - f11R).
-    E0 =  two_tcp * g3
+    E0 = two_tcp * g3
 
     # Catch math domain error of sinh(val > 710).
     # This is when E0 > 710.
@@ -220,8 +221,8 @@
         # To prevent math errors, set e_zero to 1.
         E0[mask_max_e.mask] = 1.0
 
-    # Derived from chemical shifts  #E2 = complex(0,-2.0 * tcp * (F00I - 
f11I)).
-    E2 =  two_tcp * g4
+    # Derived from chemical shifts  #E2 = complex(0, -2.0 * tcp * (F00I - 
f11I)).
+    E2 = two_tcp * g4
 
     # Mixed term (complex) (E0 - iE2)/2.
     E1 = (g3 - g4*1j) * tcp
@@ -282,7 +283,7 @@
         Tog.real[mask_log_tog_neg] = 1.0
 
     # Fastest calculation.
-    back_calc[:] = (r20a + r20b + kex) / 2.0  - inv_tcpmg * ( ncyc *  
arccosh(v1c.real) + log(Tog.real) )
+    back_calc[:] = (r20a + r20b + kex) / 2.0 - inv_tcpmg * ( ncyc * 
arccosh(v1c.real) + log(Tog.real) )
 
     # Replace data in array.
     # If dw is zero.