r4884 - /branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py -- January 22, 2008 - 17:13

Author: bugman
Date: Tue Jan 22 17:13:17 2008
New Revision: 4884

URL: http://svn.gna.org/viewcvs/relax?rev=4884&view=rev
Log:
Bug fix for the 5-state xz-plane system test.

The reduced tensors were incorrect.  They were the tensors for the first 
state, not the averaged
tensors!  They have been replaced by the correct ones and the number of 
states set to 5.


Modified:
    branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py

Modified: branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py?rev=4884&r1=4883&r2=4884&view=diff
==============================================================================
--- branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py 
(original)
+++ branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py Tue 
Jan 22 17:13:17 2008
@@ -9,7 +9,7 @@
 """
 
 # Python module imports.
-from math import sqrt
+from math import cos, pi, sqrt
 
 
 # Create the data pipe.
@@ -47,11 +47,11 @@
 
 
 # Load the N-terminal alignment tensors.
-align_tensor.init(tensor='chi1 N-dom', params=(1/4.,   -1/2.,   0.,          
    3/4.,   0.))
-align_tensor.init(tensor='chi2 N-dom', params=(7/16.,  -7/8.,   0.,          
    9/16.,  0.))
-align_tensor.init(tensor='chi3 N-dom', params=(-1/32.,  1/16., 
-15/(16*sqrt(2)), 3/32., -15/(16*sqrt(2))))
-align_tensor.init(tensor='chi4 N-dom', params=(1.,     -7/8.,   0.,          
    0.,     0.))
-align_tensor.init(tensor='chi5 N-dom', params=(1/4.,   -1/2.,   
3/(8*sqrt(2)),   3/4.,  -3/(8*sqrt(2))))
+align_tensor.init(tensor='chi1 N-dom', params=(1/20.*(2-3*sqrt(2)),   -1/2., 
  0.,              0.,   0.))
+align_tensor.init(tensor='chi2 N-dom', params=(1/80.*(26-9*sqrt(2)),  -7/8., 
  0.,              0.,  0.))
+align_tensor.init(tensor='chi3 N-dom', params=(-1/160.*(8+3*sqrt(2)),  
1/16.,  0.,    0., -3/16*(1+sqrt(2)+2*cos(pi/8.))))
+align_tensor.init(tensor='chi4 N-dom', params=(7/16.,                 -7/8., 
  0.,    9/80.*(1+sqrt(2)),     0.))
+align_tensor.init(tensor='chi5 N-dom', params=(1/20.*(2-3*sqrt(2)),   -1/2., 
  3/40.*(1+sqrt(2)+2*cos(pi/8.)),   0., 0.))
 
 # Set the domain the tensors correspond to.
 n_state_model.set_domain(tensor='chi1 N-dom', domain='N')
@@ -76,13 +76,13 @@
 align_tensor.matrix_angles(basis_set=1, tensors=['chi1 N-dom', 'chi2 N-dom', 
'chi3 N-dom', 'chi4 N-dom', 'chi5 N-dom'])
 
 # Set up the 5-state model.
-n_state_model.model(N=3)
+n_state_model.model(N=5)
 
 # Set the initial parameter values to the defaults (the grid search is too 
expensive).
-value.set()
+#value.set()
 
 # Minimise.
-minimise('simplex', constraints=False, max_iter=200)
+minimise('simplex', constraints=False)
 
 raise RelaxError, "It worked!!!"
 # Finish.