r4989 - /branches/N_state_model/specific_fns/n_state_model.py -- February 14, 2008 - 15:04

Author: bugman
Date: Thu Feb 14 15:04:10 2008
New Revision: 4989

URL: http://svn.gna.org/viewcvs/relax?rev=4989&view=rev
Log:
The cone angle for diffusion in an axially symmetric cone is now calculated.


Modified:
    branches/N_state_model/specific_fns/n_state_model.py

Modified: branches/N_state_model/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/specific_fns/n_state_model.py?rev=4989&r1=4988&r2=4989&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Thu Feb 14 15:04:10 
2008
@@ -149,6 +149,9 @@
         # The cone angle for diffusion on an axially symmetric cone.
         cdp.diff_on_cone_theta = acos(len_red)
 
+        # The cone angle for diffusion in an axially symmetric cone.
+        cdp.diff_in_cone_theta = acos(2.*len_red - 1.)
+
         # Print out.
         print "\nThe pivot point of the domain motions is:\n" + 
`cdp.pivot_point` + "\n"
         print "The initial centre of mass (prior to rotation) for the moving 
domain is:\n" + `cdp.CoM` + "\n"
@@ -157,6 +160,7 @@
         print "The full length rotated CoM vector is:\n" + `cdp.rot_CoM` + 
"\n"
         print "The length reduction is:\n" + `len_red` + "\n"
         print "The cone angle for diffusion on an axially symmetric cone 
is:\n%.5f rad (%.5f deg)\n" % (cdp.diff_on_cone_theta, cdp.diff_on_cone_theta 
/ (2*pi) *360.)
+        print "The cone angle for diffusion in an axially symmetric cone 
is:\n%.5f rad (%.5f deg)\n" % (cdp.diff_in_cone_theta, cdp.diff_in_cone_theta 
/ (2*pi) *360.)
 
         raise NameError, "hello"