Author: bugman Date: Wed Jan 9 16:52:27 2008 New Revision: 4559 URL: http://svn.gna.org/viewcvs/relax?rev=4559&view=rev Log: Yet 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=4559&r1=4558&r2=4559&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 16:52:27 2008 @@ -16,12 +16,26 @@ pipe.create('test', 'N-state') -# Load the C-terminal alignment tensors.. -n_state_model.init(tensor='chi1', domain='C', red=False, params=(-1/2., -1/2., 0., 0., 0.)) -n_state_model.init(tensor='chi2', domain='C', red=False, params=(-1/8., -7/8., 0., 0., 0.)) -n_state_model.init(tensor='chi3', domain='C', red=False, params=(-1/8., 1/16., 0., 0., -15/16.)) -n_state_model.init(tensor='chi4', domain='C', red=False, params=(7/16., -7/8., 0., 9/16., 0.)) -n_state_model.init(tensor='chi5', domain='C', red=False, params=(-1/2., -1/2., 3/8., 0., 0.)) +# Load the C-terminal alignment tensors. +align_tensor.init(tensor='chi1 C-dom', params=(-1/2., -1/2., 0., 0., 0.)) +align_tensor.init(tensor='chi2 C-dom', params=(-1/8., -7/8., 0., 0., 0.)) +align_tensor.init(tensor='chi3 C-dom', params=(-1/8., 1/16., 0., 0., -15/16.)) +align_tensor.init(tensor='chi4 C-dom', params=(7/16., -7/8., 0., 9/16., 0.)) +align_tensor.init(tensor='chi5 C-dom', params=(-1/2., -1/2., 3/8., 0., 0.)) + +# Set the domain the tensors correspond to. +n_state_model.set_domain(tensor='chi1 C-dom', domain='C') +n_state_model.set_domain(tensor='chi2 C-dom', domain='C') +n_state_model.set_domain(tensor='chi3 C-dom', domain='C') +n_state_model.set_domain(tensor='chi4 C-dom', domain='C') +n_state_model.set_domain(tensor='chi5 C-dom', domain='C') + +# Set that they are non-reduced tensors. +n_state_model.set_type(tensor='chi1 C-dom', red=False) +n_state_model.set_type(tensor='chi2 C-dom', red=False) +n_state_model.set_type(tensor='chi3 C-dom', red=False) +n_state_model.set_type(tensor='chi4 C-dom', red=False) +n_state_model.set_type(tensor='chi5 C-dom', red=False) # Calculate the singular values. n_state_model.svd(basis_set=0, domain='C') @@ -33,11 +47,25 @@ # Load the N-terminal alignment tensors. -n_state_model.init(tensor='chi1', domain='N', red=True, params=(1/4., -1/2., 0., 3/4., 0.)) -n_state_model.init(tensor='chi2', domain='N', red=True, params=(7/16., -7/8., 0., 9/16., 0.)) -n_state_model.init(tensor='chi3', domain='N', red=True, params=(-1/32., 1/16., -15/(16*sqrt(2)), 3/32., -15/(16*sqrt(2)))) -n_state_model.init(tensor='chi4', domain='N', red=True, params=(1., -7/8., 0., 0., 0.)) -n_state_model.init(tensor='chi5', domain='N', red=True, params=(1/4., -1/2., 3/(8*sqrt(2)), 3/4., -3/(8*sqrt(2)))) +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)))) + +# Set the domain the tensors correspond to. +n_state_model.set_domain(tensor='chi1 N-dom', domain='N') +n_state_model.set_domain(tensor='chi2 N-dom', domain='N') +n_state_model.set_domain(tensor='chi3 N-dom', domain='N') +n_state_model.set_domain(tensor='chi4 N-dom', domain='N') +n_state_model.set_domain(tensor='chi5 N-dom', domain='N') + +# Set that they are non-reduced tensors. +n_state_model.set_type(tensor='chi1 N-dom', red=True) +n_state_model.set_type(tensor='chi2 N-dom', red=True) +n_state_model.set_type(tensor='chi3 N-dom', red=True) +n_state_model.set_type(tensor='chi4 N-dom', red=True) +n_state_model.set_type(tensor='chi5 N-dom', red=True) # Calculate the singular values. n_state_model.svd(basis_set=0, domain='N')