r11383 - /1.3/specific_fns/frame_order.py -- July 29, 2010 - 14:18

Author: bugman
Date: Thu Jul 29 14:18:18 2010
New Revision: 11383

URL: http://svn.gna.org/viewcvs/relax?rev=11383&view=rev
Log:
The back-calculated alignments tensors are now being stored in the current 
data pipe.


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=11383&r1=11382&r2=11383&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Thu Jul 29 14:18:18 2010
@@ -36,7 +36,7 @@
 from api_base import API_base
 from api_common import API_common
 from float import isNaN, isInf
-from generic_fns import pipes
+from generic_fns import align_tensor, pipes
 from generic_fns.angles import wrap_angles
 from generic_fns.structure.cones import Iso_cone
 from generic_fns.structure.geometric import cone_edge, generate_vector_dist, 
generate_vector_residues, stitch_cone_to_edge
@@ -114,6 +114,9 @@
 
         # Make a single function call.  This will cause back calculation and 
the data will be stored in the class instance.
         target.func(param_vector)
+
+        # Store the back-calculated tensors.
+        self._store_bc_tensors(target)
 
         # Return the reduced tensors.
         return target.red_tensors_bc
@@ -416,6 +419,22 @@
 
         # Update the model.
         self._update_model()
+
+
+    def _store_bc_tensors(self, target_fn):
+        """Store the back-calculated reduced alignment tensors.
+
+        @param target_fn:   The frame-order target function class.
+        @type target_fn:    class instance
+        """
+
+        # Loop over the reduced tensors.
+        for i, tensor in self._tensor_loop(red=True):
+            # New name.
+            name = tensor.name + ' bc'
+
+            # Initialise the new tensor.
+            align_tensor.init(tensor=name, 
params=(target_fn.red_tensors_bc[5*i + 0], target_fn.red_tensors_bc[5*i + 1], 
target_fn.red_tensors_bc[5*i + 2], target_fn.red_tensors_bc[5*i + 3], 
target_fn.red_tensors_bc[5*i + 4]), param_types=2)
 
 
     def _tensor_loop(self, red=False):
@@ -673,6 +692,9 @@
 
         # Set the chi2.
         cdp.chi2 = chi2
+
+        # Store the back-calculated tensors.
+        self._store_bc_tensors(target)
 
 
     def create_mc_data(self, spin_id=None):
@@ -1073,6 +1095,10 @@
         # Unpack the results.
         self._unpack_opt_results(results, sim_index)
 
+        # Store the back-calculated tensors.
+        self._store_bc_tensors(target)
+
+
 
     def model_loop(self):
         """Dummy generator method.