r15042 - /branches/frame_order_testing/maths_fns/frame_order.py -- December 07, 2011 - 13:46

Author: bugman
Date: Wed Dec  7 13:46:43 2011
New Revision: 15042

URL: http://svn.gna.org/viewcvs/relax?rev=15042&view=rev
Log:
Fix for the frame order target function class for when RDC or PCS data is 
missing.


Modified:
    branches/frame_order_testing/maths_fns/frame_order.py

Modified: branches/frame_order_testing/maths_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=15042&r1=15041&r2=15042&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order.py Wed Dec  7 13:46:43 
2011
@@ -244,14 +244,16 @@
                 self.pcs_const[i] = pcs_constant(self.temp[i], self.frq[i], 
1.0) * 1e30
 
         # PCS function, gradient, and Hessian matrices.
-        self.pcs_theta = zeros((self.num_align, self.num_pcs), float64)
-        self.dpcs_theta = zeros((self.total_num_params, self.num_align, 
self.num_pcs), float64)
-        self.d2pcs_theta = zeros((self.total_num_params, 
self.total_num_params, self.num_align, self.num_pcs), float64)
+        if self.pcs_flag:
+            self.pcs_theta = zeros((self.num_align, self.num_pcs), float64)
+            self.dpcs_theta = zeros((self.total_num_params, self.num_align, 
self.num_pcs), float64)
+            self.d2pcs_theta = zeros((self.total_num_params, 
self.total_num_params, self.num_align, self.num_pcs), float64)
 
         # RDC function, gradient, and Hessian matrices.
-        self.rdc_theta = zeros((self.num_align, self.num_rdc), float64)
-        self.drdc_theta = zeros((self.total_num_params, self.num_align, 
self.num_rdc), float64)
-        self.d2rdc_theta = zeros((self.total_num_params, 
self.total_num_params, self.num_align, self.num_rdc), float64)
+        if self.rdc_flag:
+            self.rdc_theta = zeros((self.num_align, self.num_rdc), float64)
+            self.drdc_theta = zeros((self.total_num_params, self.num_align, 
self.num_rdc), float64)
+            self.d2rdc_theta = zeros((self.total_num_params, 
self.total_num_params, self.num_align, self.num_rdc), float64)
 
         # The target function aliases.
         if model == 'pseudo-ellipse':