Author: bugman Date: Wed Jan 4 11:16:45 2012 New Revision: 15141 URL: http://svn.gna.org/viewcvs/relax?rev=15141&view=rev Log: Fixes for many of the N-state model system test scripts for the change in the handling of alignments. Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/5_state_xz.py branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_back_calc.py branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_to_rdc.py branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/populations.py Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/5_state_xz.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/5_state_xz.py?rev=15141&r1=15140&r2=15141&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/5_state_xz.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/5_state_xz.py Wed Jan 4 11:16:45 2012 @@ -15,6 +15,10 @@ # Create the data pipe. pipe.create('test', 'N-state') + +# Define the two domains. +domain('C') +domain('N') # Load the C-terminal alignment tensors. align_tensor.init(tensor='chi1 C-dom', params=(-1/2., -1/2., 0., 0., 0.)) Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py?rev=15141&r1=15140&r2=15141&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py Wed Jan 4 11:16:45 2012 @@ -51,10 +51,10 @@ align_list = ['Dy', 'Tb', 'Tm', 'Er'] # Set the tensors. -align_tensor.init(tensor=align_list[0], params=( 1.42219822168827662867e-04, -1.44543001566521341940e-04, -7.07796211648713973798e-04, -6.01619494082773244303e-04, 2.02008007072950861996e-04), param_types=2) -align_tensor.init(tensor=align_list[1], params=( 3.56720663040924505435e-04, -2.68385787902088840916e-04, -1.69361406642305853832e-04, 1.71873715515064501074e-04, -3.05790155096090983822e-04), param_types=2) -align_tensor.init(tensor=align_list[2], params=( 2.32088908680377300801e-07, 2.08076808579168379617e-06, -2.21735465435989729223e-06, -3.74311563209448033818e-06, -2.40784858070560310370e-06), param_types=2) -align_tensor.init(tensor=align_list[3], params=(-2.62495279588228071048e-04, 7.35617367964106275147e-04, 6.39754192258981332648e-05, 6.27880171180572523460e-05, 2.01197582457700226708e-04), param_types=2) +align_tensor.init(tensor=align_list[0], params=( 1.42219822168827662867e-04, -1.44543001566521341940e-04, -7.07796211648713973798e-04, -6.01619494082773244303e-04, 2.02008007072950861996e-04), align_id=align_list[0], param_types=2) +align_tensor.init(tensor=align_list[1], params=( 3.56720663040924505435e-04, -2.68385787902088840916e-04, -1.69361406642305853832e-04, 1.71873715515064501074e-04, -3.05790155096090983822e-04), align_id=align_list[1], param_types=2) +align_tensor.init(tensor=align_list[2], params=( 2.32088908680377300801e-07, 2.08076808579168379617e-06, -2.21735465435989729223e-06, -3.74311563209448033818e-06, -2.40784858070560310370e-06), align_id=align_list[2], param_types=2) +align_tensor.init(tensor=align_list[3], params=(-2.62495279588228071048e-04, 7.35617367964106275147e-04, 6.39754192258981332648e-05, 6.27880171180572523460e-05, 2.01197582457700226708e-04), align_id=align_list[3], param_types=2) # Load the RDCs and PCSs. for i in xrange(len(align_list)): Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_back_calc.py?rev=15141&r1=15140&r2=15141&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_back_calc.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_back_calc.py Wed Jan 4 11:16:45 2012 @@ -23,13 +23,14 @@ # The tensor. tensor = 'A' -align_tensor.init(tensor, (4.724/const, 11.856/const, 0, 0, 0), param_types=2) +align_id = tensor +align_tensor.init(tensor, (4.724/const, 11.856/const, 0, 0, 0), align_id=align_id, param_types=2) # The temperature. -temperature(id=tensor, temp=298) +temperature(id=align_id, temp=298) # The frequency. -frq.set(id=tensor, frq=900.0 * 1e6) +frq.set(id=align_id, frq=900.0 * 1e6) # One state model. n_state_model.select_model('fixed') Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_to_rdc.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_to_rdc.py?rev=15141&r1=15140&r2=15141&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_to_rdc.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/pcs_to_rdc.py Wed Jan 4 11:16:45 2012 @@ -32,7 +32,7 @@ # The tensor. tensor = 'A' -align_tensor.init(tensor, (4.724/const, 11.856/const, 0, 0, 0), param_types=2) +align_tensor.init(tensor, (4.724/const, 11.856/const, 0, 0, 0), align_id=tensor, param_types=2) # The temperature. temperature(id=tensor, temp=298) Modified: branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/populations.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/populations.py?rev=15141&r1=15140&r2=15141&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/populations.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/n_state_model/populations.py Wed Jan 4 11:16:45 2012 @@ -74,10 +74,10 @@ value.set(0.6, 'p1') # Set the tensors. -align_tensor.init(tensor=align_list[0], params=( 1.42219822168827662867e-04, -1.44543001566521341940e-04, -7.07796211648713973798e-04, -6.01619494082773244303e-04, 2.02008007072950861996e-04), param_types=2) -align_tensor.init(tensor=align_list[1], params=( 3.56720663040924505435e-04, -2.68385787902088840916e-04, -1.69361406642305853832e-04, 1.71873715515064501074e-04, -3.05790155096090983822e-04), param_types=2) -align_tensor.init(tensor=align_list[2], params=( 2.32088908680377300801e-07, 2.08076808579168379617e-06, -2.21735465435989729223e-06, -3.74311563209448033818e-06, -2.40784858070560310370e-06), param_types=2) -align_tensor.init(tensor=align_list[3], params=(-2.62495279588228071048e-04, 7.35617367964106275147e-04, 6.39754192258981332648e-05, 6.27880171180572523460e-05, 2.01197582457700226708e-04), param_types=2) +align_tensor.init(tensor=align_list[0], params=( 1.42219822168827662867e-04, -1.44543001566521341940e-04, -7.07796211648713973798e-04, -6.01619494082773244303e-04, 2.02008007072950861996e-04), align_id=align_list[0], param_types=2) +align_tensor.init(tensor=align_list[1], params=( 3.56720663040924505435e-04, -2.68385787902088840916e-04, -1.69361406642305853832e-04, 1.71873715515064501074e-04, -3.05790155096090983822e-04), align_id=align_list[1], param_types=2) +align_tensor.init(tensor=align_list[2], params=( 2.32088908680377300801e-07, 2.08076808579168379617e-06, -2.21735465435989729223e-06, -3.74311563209448033818e-06, -2.40784858070560310370e-06), align_id=align_list[2], param_types=2) +align_tensor.init(tensor=align_list[3], params=(-2.62495279588228071048e-04, 7.35617367964106275147e-04, 6.39754192258981332648e-05, 6.27880171180572523460e-05, 2.01197582457700226708e-04), align_id=align_list[3], param_types=2) print n_state_model_obj._assemble_param_vector() # Calculation.