r21595 - in /branches/relax_disp/lib/dispersion: cr72.py mq_cr72.py -- November 22, 2013 - 11:03

Author: bugman
Date: Fri Nov 22 11:03:35 2013
New Revision: 21595

URL: http://svn.gna.org/viewcvs/relax?rev=21595&view=rev
Log:
Improvements for the 'CR72' and 'MQ CR72' dispersion model R2eff calculating 
functions.

The numpy.arccosh() function can handle all input values when complex, 
therefore the checks for the
real part being above 1 are not necessary.


Modified:
    branches/relax_disp/lib/dispersion/cr72.py
    branches/relax_disp/lib/dispersion/mq_cr72.py

Modified: branches/relax_disp/lib/dispersion/cr72.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/cr72.py?rev=21595&r1=21594&r2=21595&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/cr72.py (original)
+++ branches/relax_disp/lib/dispersion/cr72.py Fri Nov 22 11:03:35 2013
@@ -126,11 +126,5 @@
             back_calc[i] = 1e100
             continue
 
-        # Part of the equation (catch values < 1 to prevent math domain 
errors).
-        part = Dpos * cosh(etapos) - Dneg * cos(etaneg)
-        if part < 1.0:
-            back_calc[i] = 1e100
-            continue
-
         # The full formula.
-        back_calc[i] = r20_kex - cpmg_frqs[i] * arccosh(part)
+        back_calc[i] = r20_kex - cpmg_frqs[i] * arccosh(Dpos * cosh(etapos) 
- Dneg * cos(etaneg))

Modified: branches/relax_disp/lib/dispersion/mq_cr72.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/mq_cr72.py?rev=21595&r1=21594&r2=21595&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/mq_cr72.py (original)
+++ branches/relax_disp/lib/dispersion/mq_cr72.py Fri Nov 22 11:03:35 2013
@@ -122,13 +122,8 @@
         Q = 1 - mD**2 + mD*mZ - mZ**2 + 0.5*(mD + mZ)*sqrt_pBpA
         Q = Q.real
 
-        # Part of the equation (catch values < 1 to prevent math domain 
errors).
-        part = Dpos * cosh(etapos) - Dneg * cos(etaneg)
-        if part.real < 1.0:
-            part = -part
-
         # The first eigenvalue.
-        lambda1 = r20_kex - cpmg_frqs[i] * arccosh(part)
+        lambda1 = r20_kex - cpmg_frqs[i] * arccosh(Dpos * cosh(etapos) - 
Dneg * cos(etaneg))
 
         # The full formula.
         back_calc[i] = lambda1.real - inv_tcpmg * log(Q) / power[i]