r4873 - /branches/N_state_model/specific_fns/n_state_model.py -- January 21, 2008 - 15:25

Author: bugman
Date: Mon Jan 21 15:25:26 2008
New Revision: 4873

URL: http://svn.gna.org/viewcvs/relax?rev=4873&view=rev
Log:
Fixes for the default_value() method.

The value.set() user function now works for the N-state model.


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=4873&r1=4872&r2=4873&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Mon Jan 21 15:25:26 
2008
@@ -94,15 +94,19 @@
         |                             |                             |        
                |
         | Probabilities               | 'p0', 'p1', 'p2', ..., 'pN' | 1/N    
                |
         |                             |                             |        
                |
-        | Euler angle alpha           | 'alpha0', 'alpha1', ...     | c * pi 
/ (N+1)         |
+        | Euler angle alpha           | 'alpha0', 'alpha1', ...     | (c+1) 
* pi / (N+1)     |
         |                             |                             |        
                |
-        | Euler angle beta            | 'beta0', 'beta1', ...       | c * pi 
/ (N+1)         |
+        | Euler angle beta            | 'beta0', 'beta1', ...       | (c+1) 
* pi / (N+1)     |
         |                             |                             |        
                |
-        | Euler angle gamma           | 'gamma0', 'gamma1', ...     | c * pi 
/ (N+1)         |
+        | Euler angle gamma           | 'gamma0', 'gamma1', ...     | (c+1) 
* pi / (N+1)     |
         
|_____________________________|_____________________________|________________________|
 
         In this table, N is the total number of states and c is the index of 
a given state ranging
-        from 0 to N-1.
+        from 0 to N-1.  The default probabilities are all set to be equal 
whereas the angles are
+        given a range of values so that no 2 states are equal at the start 
of optimisation.
+
+        Note that setting the probability for state N will do nothing as it 
is equal to one minus
+        all the other probabilities.
         """
         __docformat__ = "plaintext"
 
@@ -113,12 +117,12 @@
         N = float(relax_data_store[relax_data_store.current_pipe].N)
 
         # Probability.
-        if name == 'p':
+        if name == 'probs':
             return 1.0 / N
 
         # Euler angles.
         elif name == 'alpha' or name == 'beta' or name == 'gamma':
-            return float(index) * pi / (N+1.0)
+            return (float(index)+1) * pi / (N+1.0)
 
 
     def disassemble_param_vector(self, param_vector=None, sim_index=None):