Author: bugman Date: Wed Mar 2 10:18:43 2011 New Revision: 12689 URL: http://svn.gna.org/viewcvs/relax?rev=12689&view=rev Log: Updated the Rx back calculation system test script for the new relax data ID string design. Modified: branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py Modified: branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py?rev=12689&r1=12688&r2=12689&view=diff ============================================================================== --- branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py (original) +++ branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py Wed Mar 2 10:18:43 2011 @@ -50,22 +50,19 @@ model_free.select_model(model='m0') # Back-calculate. -frq = array([500], float64) -#frq = array([500, 600, 700, 800], float64) +frq = [500, 600, 700, 800] for i in range(len(frq)): - relax_data.back_calc(ri_label='R1', frq_label=str(int(frq[i])), frq=frq[i] * 1e6) - relax_data.back_calc(ri_label='R2', frq_label=str(int(frq[i])), frq=frq[i] * 1e6) - relax_data.back_calc(ri_label='NOE', frq_label=str(int(frq[i])), frq=frq[i] * 1e6) + relax_data.back_calc(ri_id='R1_%i'%frq[i], ri_type='R1', frq=frq[i] * 1e6) + relax_data.back_calc(ri_id='R2_%i'%frq[i], ri_type='R2', frq=frq[i] * 1e6) + relax_data.back_calc(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] * 1e6) -relax_data.display(ri_label='R1', frq_label='500') +relax_data.display(ri_id='R1_500') # Load the original relaxation data into another data pipe. pipe.create('orig_data', 'mf') sequence.read('NOE.500.out', dir=path, res_num_col=1) for i in range(len(frq)): - relax_data.read('R1', str(int(frq[i])), frq[i] * 1e6, 'R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) - relax_data.read('R2', str(int(frq[i])), frq[i] * 1e6, 'R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) - relax_data.read('NOE', str(int(frq[i])), frq[i] * 1e6, 'NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) -relax_data.display(ri_label='R1', frq_label='500') - - + relax_data.read(ri_id='R1_%i'%frq[i], ri_type='R1', frq=frq[i] * 1e6, file='R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) + relax_data.read(ri_id='R2_%i'%frq[i], ri_type='R2', frq=frq[i] * 1e6, file='R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) + relax_data.read(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] * 1e6, file='NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, error_col=3) +relax_data.display(ri_id='R1_500')