r4993 - /branches/N_state_model/specific_fns/n_state_model.py -- February 15, 2008 - 09:23

Author: bugman
Date: Fri Feb 15 09:23:02 2008
New Revision: 4993

URL: http://svn.gna.org/viewcvs/relax?rev=4993&view=rev
Log:
The diffusion on a cone order parameter (second Legendre poly of the cone 
angle) 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=4993&r1=4992&r2=4993&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Fri Feb 15 09:23:02 
2008
@@ -148,6 +148,7 @@
 
         # The cone angle for diffusion on an axially symmetric cone.
         cdp.theta_diff_on_cone = acos(len_red)
+        cdp.S_diff_on_cone = (3.0*cos(cdp.theta_diff_on_cone)**2 - 1.0) / 2.0
 
         # The cone angle and order parameter for diffusion in an axially 
symmetric cone.
         cdp.theta_diff_in_cone = acos(2.*len_red - 1.)
@@ -161,8 +162,10 @@
         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.theta_diff_on_cone, cdp.theta_diff_on_cone 
/ (2*pi) *360.)
+        print "The order parameter (S_cone) for diffusion on an axially 
symmetric cone is:\nS_cone = %.5f\nS^2 = %.5f\n" % (cdp.S_diff_on_cone, 
cdp.S_diff_on_cone**2)
         print "The cone angle for diffusion in an axially symmetric cone 
is:\n%.5f rad (%.5f deg)\n" % (cdp.theta_diff_in_cone, cdp.theta_diff_in_cone 
/ (2*pi) *360.)
         print "The order parameter (S_cone) for diffusion in an axially 
symmetric cone is:\nS_cone = %.5f\nS^2 = %.5f\n" % (cdp.S_diff_in_cone, 
cdp.S_diff_in_cone**2)
+        raise NameError, "hello"
 
 
     def default_value(self, param):