Author: bugman Date: Wed Jan 9 15:53:20 2008 New Revision: 4556 URL: http://svn.gna.org/viewcvs/relax?rev=4556&view=rev Log: Another design change for the N-state model (as coded in the 5-state system test). 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=4556&r1=4555&r2=4556&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 15:53:20 2008 @@ -13,14 +13,15 @@ # Create the data pipe. -pipe.create('C domain', 'N-state') +pipe.create('test', 'N-state') + # Load the C-terminal alignment tensors.. -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.)) +n_state_model.init(label='chi1', domain='C', red=False, params=(-1/2., -1/2., 0., 0., 0.)) +n_state_model.init(label='chi2', domain='C', red=False, params=(-1/8., -7/8., 0., 0., 0.)) +n_state_model.init(label='chi3', domain='C', red=False, params=(-1/8., 1/16., 0., 0., -15/16.)) +n_state_model.init(label='chi4', domain='C', red=False, params=(7/16., -7/8., 0., 9/16., 0.)) +n_state_model.init(label='chi5', domain='C', red=False, params=(-1/2., -1/2., 3/8., 0., 0.)) # Calculate the singular values. n_state_model.svd(basis_set=0, domain='C') @@ -31,15 +32,12 @@ 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. -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)))) +n_state_model.init(label='chi1', domain='N', red=True, params=(1/4., -1/2., 0., 3/4., 0.)) +n_state_model.init(label='chi2', domain='N', red=True, params=(7/16., -7/8., 0., 9/16., 0.)) +n_state_model.init(label='chi3', domain='N', red=True, params=(-1/32., 1/16., -15/(16*sqrt(2)), 3/32., -15/(16*sqrt(2)))) +n_state_model.init(label='chi4', domain='N', red=True, params=(1., -7/8., 0., 0., 0.)) +n_state_model.init(label='chi5', domain='N', red=True, params=(1/4., -1/2., 3/(8*sqrt(2)), 3/4., -3/(8*sqrt(2)))) # Calculate the singular values. n_state_model.svd(basis_set=0, domain='N') @@ -49,6 +47,7 @@ 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)