mailr5641 - /1.3/specific_fns/model_free/model_free.py


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Posted by edward on April 13, 2008 - 19:55:
Author: bugman
Date: Sun Apr 13 19:55:43 2008
New Revision: 5641

URL: http://svn.gna.org/viewcvs/relax?rev=5641&view=rev
Log:
Changed all refs to 'cdp.diff' to 'cdp.diff_tensor'.


Modified:
    1.3/specific_fns/model_free/model_free.py

Modified: 1.3/specific_fns/model_free/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/model_free.py?rev=5641&r1=5640&r2=5641&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/model_free.py (original)
+++ 1.3/specific_fns/model_free/model_free.py Sun Apr 13 19:55:43 2008
@@ -124,18 +124,18 @@
         # Diffusion tensor parameters.
         if model_type == 'diff' or model_type == 'all':
             # Spherical diffusion.
-            if cdp.diff.type == 'sphere':
+            if cdp.diff_tensor.type == 'sphere':
                 param_names.append('tm')
 
             # Spheroidal diffusion.
-            elif cdp.diff.type == 'spheroid':
+            elif cdp.diff_tensor.type == 'spheroid':
                 param_names.append('tm')
                 param_names.append('Da')
                 param_names.append('theta')
                 param_names.append('phi')
 
             # Ellipsoidal diffusion.
-            elif cdp.diff.type == 'ellipsoid':
+            elif cdp.diff_tensor.type == 'ellipsoid':
                 param_names.append('tm')
                 param_names.append('Da')
                 param_names.append('Dr')
@@ -184,46 +184,46 @@
             # Normal parameters.
             if sim_index == None:
                 # Spherical diffusion.
-                if cdp.diff.type == 'sphere':
-                    param_vector.append(cdp.diff.tm)
+                if cdp.diff_tensor.type == 'sphere':
+                    param_vector.append(cdp.diff_tensor.tm)
 
                 # Spheroidal diffusion.
-                elif cdp.diff.type == 'spheroid':
-                    param_vector.append(cdp.diff.tm)
-                    param_vector.append(cdp.diff.Da)
-                    param_vector.append(cdp.diff.theta)
-                    param_vector.append(cdp.diff.phi)
+                elif cdp.diff_tensor.type == 'spheroid':
+                    param_vector.append(cdp.diff_tensor.tm)
+                    param_vector.append(cdp.diff_tensor.Da)
+                    param_vector.append(cdp.diff_tensor.theta)
+                    param_vector.append(cdp.diff_tensor.phi)
 
                 # Ellipsoidal diffusion.
-                elif cdp.diff.type == 'ellipsoid':
-                    param_vector.append(cdp.diff.tm)
-                    param_vector.append(cdp.diff.Da)
-                    param_vector.append(cdp.diff.Dr)
-                    param_vector.append(cdp.diff.alpha)
-                    param_vector.append(cdp.diff.beta)
-                    param_vector.append(cdp.diff.gamma)
+                elif cdp.diff_tensor.type == 'ellipsoid':
+                    param_vector.append(cdp.diff_tensor.tm)
+                    param_vector.append(cdp.diff_tensor.Da)
+                    param_vector.append(cdp.diff_tensor.Dr)
+                    param_vector.append(cdp.diff_tensor.alpha)
+                    param_vector.append(cdp.diff_tensor.beta)
+                    param_vector.append(cdp.diff_tensor.gamma)
 
             # Monte Carlo diffusion tensor parameters.
             else:
                 # Spherical diffusion.
-                if cdp.diff.type == 'sphere':
-                    param_vector.append(cdp.diff.tm_sim[sim_index])
+                if cdp.diff_tensor.type == 'sphere':
+                    param_vector.append(cdp.diff_tensor.tm_sim[sim_index])
 
                 # Spheroidal diffusion.
-                elif cdp.diff.type == 'spheroid':
-                    param_vector.append(cdp.diff.tm_sim[sim_index])
-                    param_vector.append(cdp.diff.Da_sim[sim_index])
-                    param_vector.append(cdp.diff.theta_sim[sim_index])
-                    param_vector.append(cdp.diff.phi_sim[sim_index])
+                elif cdp.diff_tensor.type == 'spheroid':
+                    param_vector.append(cdp.diff_tensor.tm_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.Da_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.theta_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.phi_sim[sim_index])
 
                 # Ellipsoidal diffusion.
-                elif cdp.diff.type == 'ellipsoid':
-                    param_vector.append(cdp.diff.tm_sim[sim_index])
-                    param_vector.append(cdp.diff.Da_sim[sim_index])
-                    param_vector.append(cdp.diff.Dr_sim[sim_index])
-                    param_vector.append(cdp.diff.alpha_sim[sim_index])
-                    param_vector.append(cdp.diff.beta_sim[sim_index])
-                    param_vector.append(cdp.diff.gamma_sim[sim_index])
+                elif cdp.diff_tensor.type == 'ellipsoid':
+                    param_vector.append(cdp.diff_tensor.tm_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.Da_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.Dr_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.alpha_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.beta_sim[sim_index])
+                    param_vector.append(cdp.diff_tensor.gamma_sim[sim_index])
 
         # Model-free parameters (residue specific parameters).
         if model_type != 'diff':
@@ -1661,7 +1661,7 @@
 
         # Is structural data required?
         need_vect = False
-        if hasattr(cdp, 'diff') and (cdp.diff.type == 'spheroid' or 
cdp.diff.type == 'ellipsoid'):
+        if hasattr(cdp, 'diff') and (cdp.diff_tensor.type == 'spheroid' or 
cdp.diff_tensor.type == 'ellipsoid'):
             need_vect = True
 
         # Loop over the sequence.




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