mailr4981 - /branches/N_state_model/specific_fns/n_state_model.py


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Posted by edward on February 13, 2008 - 16:55:
Author: bugman
Date: Wed Feb 13 16:55:42 2008
New Revision: 4981

URL: http://svn.gna.org/viewcvs/relax?rev=4981&view=rev
Log:
The rotation matrices for each of the N states 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=4981&r1=4980&r2=4981&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Wed Feb 13 16:55:42 
2008
@@ -31,6 +31,7 @@
 from float import isNaN, isInf
 import generic_fns
 from maths_fns.n_state_model import N_state_opt
+from maths_fns.rotation_matrix import rotation_matrix_zyz
 from minfx.generic import generic_minimise
 from relax_errors import RelaxError, RelaxInfError, RelaxNaNError, 
RelaxNoModelError, RelaxNoTensorError
 from specific_fns.base_class import Common_functions
@@ -125,7 +126,13 @@
         unit_vect = array(cdp.CoM, float64) - array(cdp.pivot_point, float64)
         unit_vect = unit_vect / norm(unit_vect)
         print "The unit vector between the pivot and CoM is:\n" + 
`unit_vect` + "\n"
-        raise NameError, `unit_vect`
+
+        # Generate the rotation matrices.
+        self.R = zeros((cdp.N,3,3), float64)
+        for c in xrange(cdp.N):
+            rotation_matrix_zyz(self.R[c], cdp.alpha[c], cdp.beta[c], 
cdp.gamma[c])
+
+        raise NameError, "hello"
 
 
     def default_value(self, param):




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