Author: bugman Date: Mon Oct 24 09:35:29 2011 New Revision: 14891 URL: http://svn.gna.org/viewcvs/relax?rev=14891&view=rev Log: Small fix for the tensor fitting script, and addition of the log file and output tensors. Added: 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.log.bz2 (with props) 1.3/test_suite/shared_data/frame_order/rigid/tensors.py Modified: 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.py Added: 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.log.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.log.bz2?rev=14891&view=auto ============================================================================== Binary file - no diff available. Propchange: 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.log.bz2 ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Modified: 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.py?rev=14891&r1=14890&r2=14891&view=diff ============================================================================== --- 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.py (original) +++ 1.3/test_suite/shared_data/frame_order/rigid/tensor_fit.py Mon Oct 24 09:35:29 2011 @@ -45,7 +45,7 @@ monte_carlo.error_analysis() # Alias the tensor. - A = cdp.align_tensors[i] + A = cdp.align_tensors[0] # Write out the tensors. out.write("align_tensor.init(tensor='%s%s %s-dom', params=(%s, %s, %s, %s, %s), param_types=2)\n" % (upper(ln[i][0]), ln[i][1], 'C', A.Axx, A.Ayy, A.Axy, A.Axz, A.Ayz)) Added: 1.3/test_suite/shared_data/frame_order/rigid/tensors.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rigid/tensors.py?rev=14891&view=auto ============================================================================== --- 1.3/test_suite/shared_data/frame_order/rigid/tensors.py (added) +++ 1.3/test_suite/shared_data/frame_order/rigid/tensors.py Mon Oct 24 09:35:29 2011 @@ -1,0 +1,8 @@ +align_tensor.init(tensor='Dy C-dom', params=(0.000410899521174, 0.000263381281913, -0.000138548120381, -0.000456324425911, 0.000846179206648), param_types=2) +align_tensor.init(tensor='Dy C-dom', params=(8.29513770552e-06, 9.07704822416e-06, 8.66196792487e-06, 7.13146900898e-06, 9.17688217179e-06), param_types=2, errors=True) +align_tensor.init(tensor='Tb C-dom', params=(-0.000153980646162, 0.00034344547677, -7.28817731522e-05, -0.000609159943382, 0.000820867192866), param_types=2) +align_tensor.init(tensor='Tb C-dom', params=(8.50441241154e-06, 8.70385020221e-06, 8.50293686976e-06, 7.10097795042e-06, 9.15164530393e-06), param_types=2, errors=True) +align_tensor.init(tensor='Tm C-dom', params=(3.01360422791e-05, -0.0002983862998, -9.91394468853e-05, 0.000578481329211, -0.000476190205991), param_types=2) +align_tensor.init(tensor='Tm C-dom', params=(8.70527567761e-06, 8.81056568301e-06, 8.39867388205e-06, 7.18764571669e-06, 9.76610631704e-06), param_types=2, errors=True) +align_tensor.init(tensor='Er C-dom', params=(-0.000127365632987, -9.8519563388e-05, -1.17006654632e-05, 0.000356883311127, -0.000233605494595), param_types=2) +align_tensor.init(tensor='Er C-dom', params=(8.28102056301e-06, 8.43165742529e-06, 8.36458815641e-06, 7.00373361489e-06, 9.70695487608e-06), param_types=2, errors=True)