Author: bugman
Date: Wed Jan 9 15:21:47 2008
New Revision: 4555
URL: http://svn.gna.org/viewcvs/relax?rev=4555&view=rev
Log:
Complete change of the 5-state system test for the N-state model.
The current design for integrating the N-state model into relax was not
workable. This system test
introduces a new design for this model.
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=4555&r1=4554&r2=4555&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 Wed
Jan 9 15:21:47 2008
@@ -16,38 +16,38 @@
pipe.create('C domain', 'N-state')
# Load the C-terminal alignment tensors..
-align_tensor.init(tensor='chi1', params=(-1/2., -1/2., 0., 0., 0.))
-align_tensor.init(tensor='chi2', params=(-1/8., -7/8., 0., 0., 0.))
-align_tensor.init(tensor='chi3', params=(-1/8., 1/16., 0., 0.,
-15/16.))
-align_tensor.init(tensor='chi4', params=(7/16., -7/8., 0., 9/16., 0.))
-align_tensor.init(tensor='chi5', params=(-1/2., -1/2., 3/8., 0., 0.))
+n_state_model.tensor_full(label='chi1', domain='C', params=(-1/2., -1/2.,
0., 0., 0.))
+n_state_model.tensor_full(label='chi2', domain='C', params=(-1/8., -7/8.,
0., 0., 0.))
+n_state_model.tensor_full(label='chi3', domain='C', params=(-1/8., 1/16.,
0., 0., -15/16.))
+n_state_model.tensor_full(label='chi4', domain='C', params=(7/16., -7/8.,
0., 9/16., 0.))
+n_state_model.tensor_full(label='chi5', domain='C', params=(-1/2., -1/2.,
3/8., 0., 0.))
# Calculate the singular values.
-align_tensor.svd(basis_set=0)
-align_tensor.svd(basis_set=1)
+n_state_model.svd(basis_set=0, domain='C')
+n_state_model.svd(basis_set=1, domain='C')
# Calculate the angles between the matrices.
-align_tensor.matrix_angles(basis_set=0)
-align_tensor.matrix_angles(basis_set=1)
+n_state_model.matrix_angles(basis_set=0, domain='C')
+n_state_model.matrix_angles(basis_set=1, domain='C')
# Create the data pipe.
pipe.create('N domain', 'N-state')
# Load the N-terminal alignment tensors.
-align_tensor.init(tensor='chi1', params=(1/4., -1/2., 0.,
3/4., 0.))
-align_tensor.init(tensor='chi2', params=(7/16., -7/8., 0.,
9/16., 0.))
-align_tensor.init(tensor='chi3', params=(-1/32., 1/16., -15/(16*sqrt(2)),
3/32., -15/(16*sqrt(2))))
-align_tensor.init(tensor='chi4', params=(1., -7/8., 0.,
0., 0.))
-align_tensor.init(tensor='chi5', params=(1/4., -1/2., 3/(8*sqrt(2)),
3/4., -3/(8*sqrt(2))))
+n_state_model.tensor_red(label='chi1', domain='N', params=(1/4., -1/2.,
0., 3/4., 0.))
+n_state_model.tensor_red(label='chi2', domain='N', params=(7/16., -7/8.,
0., 9/16., 0.))
+n_state_model.tensor_red(label='chi3', domain='N', params=(-1/32., 1/16.,
-15/(16*sqrt(2)), 3/32., -15/(16*sqrt(2))))
+n_state_model.tensor_red(label='chi4', domain='N', params=(1., -7/8.,
0., 0., 0.))
+n_state_model.tensor_red(label='chi5', domain='N', params=(1/4., -1/2.,
3/(8*sqrt(2)), 3/4., -3/(8*sqrt(2))))
# Calculate the singular values.
-align_tensor.svd(basis_set=0)
-align_tensor.svd(basis_set=1)
+n_state_model.svd(basis_set=0, domain='N')
+n_state_model.svd(basis_set=1, domain='N')
# Calculate the angles between the matrices.
-align_tensor.matrix_angles(basis_set=0)
-align_tensor.matrix_angles(basis_set=1)
+n_state_model.matrix_angles(basis_set=0, domain='N')
+n_state_model.matrix_angles(basis_set=1, domain='N')
# Grid search.
grid_search(inc=11)
r4555 - /branches/N_state_model/test_suite/system_tests/scripts/5_state_xz.py