r8792 - /1.3/test_suite/system_tests/scripts/align_fit.py -- February 12, 2009 - 10:51

Author: bugman
Date: Thu Feb 12 10:51:37 2009
New Revision: 8792

URL: http://svn.gna.org/viewcvs/relax?rev=8792&view=rev
Log:
The alignment tensor elements are now explicitly set.


Modified:
    1.3/test_suite/system_tests/scripts/align_fit.py

Modified: 1.3/test_suite/system_tests/scripts/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/align_fit.py?rev=8792&r1=8791&r2=8792&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/align_fit.py (original)
+++ 1.3/test_suite/system_tests/scripts/align_fit.py Thu Feb 12 10:51:37 2009
@@ -2,6 +2,9 @@
 
 # Python module imports.
 import sys
+
+# relax module imports.
+from generic_fns import pipes
 
 
 # Path of the alignment data and structure.
@@ -10,6 +13,7 @@
 
 # Create the data pipe.
 pipe.create('rdc', 'N-state')
+cdp = pipes.get_pipe()
 
 # Load the CaM structure.
 structure.read_pdb(file='bax_C_1J7P_N_H_Ca', dir=STRUCT_PATH)
@@ -41,8 +45,14 @@
 # Set up the model.
 n_state_model.select_model(model='fixed')
 
+# Set the tensor elements.
+cdp.align_tensors[0].Axx = -0.351261/2000
+cdp.align_tensors[0].Ayy = 0.556994/2000
+cdp.align_tensors[0].Axy = -0.506392/2000
+cdp.align_tensors[0].Axz = 0.560544/2000
+cdp.align_tensors[0].Ayz = -0.286367/2000
+
 # Minimisation.
-align_tensor.init(tensor='synth', params=(-0.351261/2000, 0.556994/2000, 
-0.506392/2000, 0.560544/2000, -0.286367/2000), param_types=2)
 #grid_search(inc=5)
 minimise('simplex', constraints=False, max_iter=500)