mailr22980 - /trunk/lib/dispersion/b14.py


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Posted by tlinnet on May 05, 2014 - 20:18:
Author: tlinnet
Date: Mon May  5 20:18:47 2014
New Revision: 22980

URL: http://svn.gna.org/viewcvs/relax?rev=22980&view=rev
Log:
Pretty up code, removing multiple "(" and ")".

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Modified:
    trunk/lib/dispersion/b14.py

Modified: trunk/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=22980&r1=22979&r2=22980&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May  5 20:18:47 2014
@@ -157,7 +157,7 @@
     #N = oG + oE.
     N = complex(kge + g3 - kge, g4)
 
-    NNc = (g3**2 + g4**2)
+    NNc = g3**2 + g4**2
 
     # f0.
     f0 = (dw**2 + g3**2) / NNc
@@ -168,13 +168,13 @@
     # t1 = (-dw + g4) * (complex(-dw, -g3)) / NNc #t1.
 
     # t2.
-    t2 = (dw + g4) * (complex(dw, -g3)) / NNc
+    t2 = (dw + g4) * complex(dw, -g3) / NNc
 
     # t1 + t2.
-    t1pt2 = complex(2 * dw**2,g1)/ NNc
+    t1pt2 = complex(2 * dw**2,g1) / NNc
 
     # -2 * oG * t2.
-    oGt2 = complex((-alpha_m - g3), (dw - g4)) * t2
+    oGt2 = complex(-alpha_m - g3, dw - g4) * t2
 
     # -1/Trel * log(LpreDyn).
     Rpre = (r20a + r20b + kex) / 2.0
@@ -187,13 +187,13 @@
     E2 =  2.0 * tcp * g4
 
     # Mixed term (complex) (E0 - iE2)/2.
-    E1 = (complex(g3, -g4)) * tcp
+    E1 = complex(g3, -g4) * tcp
 
     # Real.
-    ex0b = (f0 * cosh(E0) - f2 * cos(E2))
+    ex0b = f0 * cosh(E0) - f2 * cos(E2)
 
     # Complex.
-    ex0c = (f0 * sinh(E0) - f2 * sin(E2) * complex(0, 1.0))
+    ex0c = f0 * sinh(E0) - f2 * sin(E2) * complex(0, 1.0)
 
     # Complex.
     ex1c = sinh(E1)
@@ -201,14 +201,15 @@
     # Exact result for v2v3.
     v3 = sqrt(ex0b**2 - 1)
 
-    y = power((ex0b - v3) / (ex0b + v3), ncyc)
+    y = power( (ex0b - v3) / (ex0b + v3), ncyc)
 
     # Off diagonal common factor. sinh fuctions.
-    v2pPdN = (( complex(-deltaR2 + kex, dw) ) * ex0c + (-oGt2 - kge * t1pt2) 
* 2 * ex1c)
-    Tog = (((1 + y)/2 + (1 - y)/(2 * v3) * v2pPdN / N))
+    v2pPdN = complex(-deltaR2 + kex, dw) * ex0c + (-oGt2 - kge * t1pt2) * 2 
* ex1c
+
+    Tog = (1 + y) / 2 + (1 - y) / (2 * v3) * v2pPdN / N
 
     # Estimate R2eff.
-    Minty = Rpre - ncyc/(Trel) * arccosh((ex0b).real) - 1/Trel * 
log((Tog.real))
+    Minty = Rpre - ncyc/Trel * arccosh(ex0b.real) - 1/Trel * log(Tog.real)
 
     # Loop over the time points, back calculating the R2eff values.
     for i in range(num_points):




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