r8039 - /branches/spectral_errors/test_suite/system_tests/scripts/noe.py -- November 27, 2008 - 14:12

Author: bugman
Date: Thu Nov 27 14:12:59 2008
New Revision: 8039

URL: http://svn.gna.org/viewcvs/relax?rev=8039&view=rev
Log:
Modified the NOE system test to call the noe.spectrum_type() user function.

The spectrum_ids have also been changed to avoid user confusion (when these 
changes are ported to
the sample script).


Modified:
    branches/spectral_errors/test_suite/system_tests/scripts/noe.py

Modified: branches/spectral_errors/test_suite/system_tests/scripts/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/spectral_errors/test_suite/system_tests/scripts/noe.py?rev=8039&r1=8038&r2=8039&view=diff
==============================================================================
--- branches/spectral_errors/test_suite/system_tests/scripts/noe.py (original)
+++ branches/spectral_errors/test_suite/system_tests/scripts/noe.py Thu Nov 
27 14:12:59 2008
@@ -12,16 +12,20 @@
 spin.name(name='N')
 
 # Load the reference spectrum and saturated spectrum peak intensities.
-spectrum.read_intensities(file='ref_ave.list', dir=sys.path[-1] + 
'/test_suite/shared_data/peak_lists', spectrum_id='ref')
-spectrum.read_intensities(file='sat_ave.list', dir=sys.path[-1] + 
'/test_suite/shared_data/peak_lists', spectrum_id='sat')
+spectrum.read_intensities(file='ref_ave.list', dir=sys.path[-1] + 
'/test_suite/shared_data/peak_lists', spectrum_id='ref_ave')
+spectrum.read_intensities(file='sat_ave.list', dir=sys.path[-1] + 
'/test_suite/shared_data/peak_lists', spectrum_id='sat_ave')
+
+# Set the spectrum types.
+noe.spectrum_type('ref', 'ref_ave')
+noe.spectrum_type('sat', 'sat_ave')
 
 # Set the errors.
-spectrum.baseplane_rmsd(error=3600, spectrum_id='ref')
-spectrum.baseplane_rmsd(error=3000, spectrum_id='sat')
+spectrum.baseplane_rmsd(error=3600, spectrum_id='ref_ave')
+spectrum.baseplane_rmsd(error=3000, spectrum_id='sat_ave')
 
 # Individual residue errors.
-spectrum.baseplane_rmsd(error=122000, spectrum_id='ref', spin_id=":5")
-spectrum.baseplane_rmsd(error=8500, spectrum_id='sat', spin_id=":5")
+spectrum.baseplane_rmsd(error=122000, spectrum_id='ref_ave', spin_id=":5")
+spectrum.baseplane_rmsd(error=8500, spectrum_id='sat_ave', spin_id=":5")
 
 # Peak intensity error analysis.
 spectrum.error_analysis()
@@ -36,8 +40,8 @@
 value.write(param='noe', file='devnull', force=True)
 
 # Create grace files.
-grace.write(y_data_type='ref', file='devnull', force=True)
-grace.write(y_data_type='sat', file='devnull', force=True)
+grace.write(y_data_type='ref_ave', file='devnull', force=True)
+grace.write(y_data_type='sat_ave', file='devnull', force=True)
 grace.write(y_data_type='noe', file='devnull', force=True)
 
 # Write the results.