r4763 - /branches/N_state_model/maths_fns/n_state_model.py -- January 16, 2008 - 09:22

Author: bugman
Date: Wed Jan 16 09:22:29 2008
New Revision: 4763

URL: http://svn.gna.org/viewcvs/relax?rev=4763&view=rev
Log:
Updated the N_state_opt.__init__() method to include N and full_tensors as 
args.

Storage space for the rotation matricies and their transposed has also been 
created.


Modified:
    branches/N_state_model/maths_fns/n_state_model.py

Modified: branches/N_state_model/maths_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/maths_fns/n_state_model.py?rev=4763&r1=4762&r2=4763&view=diff
==============================================================================
--- branches/N_state_model/maths_fns/n_state_model.py (original)
+++ branches/N_state_model/maths_fns/n_state_model.py Wed Jan 16 09:22:29 2008
@@ -27,15 +27,19 @@
 class N_state_opt:
     """Class containing the target function of the optimisation of the 
N-state model."""
 
-    def __init__(self, init_params=None, red_data=None, red_errors=None):
+    def __init__(self, N=None, init_params=None, full_tensors=None, 
red_data=None, red_errors=None):
         """Set up the class instance for optimisation.
 
         All constant data required for the N-state model are initialised 
here.
 
 
+        @param N:               The number of states.
+        @type N:                int
         @param init_params:     The initial parameter values.  Optimisation 
must start at some
                                 point!
         @type init_params:      numpy float64 array
+        @param full_tensors:    A list of the full alignment tensors in 
matrix form.
+        @type full_tensors:     list of 3x3 numpy matricies
         @param red_data:        An array of the {Sxx, Syy, Sxy, Sxz, Syz} 
values for all reduced
                                 tensors.  The format is [Sxx1, Syy1, Sxy1, 
Sxz1, Syz1, Sxx2, Syy2,
                                 Sxy2, Sxz2, Syz2, ..., Sxxn, Syyn, Sxyn, 
Sxzn, Syzn]
@@ -45,11 +49,20 @@
         @type red_errors:       numpy float64 array
         """
 
-        # Place the data into the class instance namespace.
+        # Store the data inside the class instance namespace.
+        self.N = N
         self.params = 1.0 * init_params    # Force a copy of the data to be 
stored.
         self.total_num_params = len(init_params)
+        self.full_tensors = full_tensors
         self.red_data = red_data
         self.red_errors = red_errors
+
+        # Initialise some empty matrices for storage of the transient 
rotation matricies and their transposes.
+        self.R = []
+        self.RT = []
+        for i in xrange(N):
+            self.R.append(zeros((3,3), float64))
+            self.RT.append(zeros((3,3), float64))
 
 
     def func(self, params):