r19240 - /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py -- March 27, 2013 - 15:27

Author: bugman
Date: Wed Mar 27 15:27:10 2013
New Revision: 19240

URL: http://svn.gna.org/viewcvs/relax?rev=19240&view=rev
Log:
Ported r8697 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8696:8697 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp@r18123 .

.....
  r8697 | semor | 2009-01-28 17:08:11 +0100 (Wed, 28 Jan 2009) | 18 lines
  Changed paths:
     M 
/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
  
  Started to make changes for multiple field relaxation disperison analysis.
  
  This seems necessary, so maybe we should not support single field analysis 
of relaxation dispersion
  at all.
  
  -> Kovrigin et al. (2006) JMagRes, 180: 93-104.
  
  ...
  
  The changes made here are only a first draft and may not work. In 
particular, maybe the
  spectrum.read_intensities(), relax_disp.cpmg_frq(), spectrum.replicated(),
  spectrum.error_analysis(), and deselect.read() functions will need to know 
the magnetic field to
  which the particular dataset is associated...
  
  In fact, the different datasets should be input first and their R2eff 
calculated indepentantly. In
  a second step, the actual relaxation dispersion curve fitting should be 
made with all data.
.....


Modified:
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=19240&r1=19239&r2=19240&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
(original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py 
Wed Mar 27 15:27:10 2013
@@ -7,7 +7,8 @@
 pipe.create('rex', 'relax_disp')
 
 # The path to the data files.
-data_path = sys.path[-1] + 
'/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz'
+data_path_1 = sys.path[-1] + 
'/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz'
+data_path_2 = sys.path[-1] + 
'/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz'
 
 # Load the sequence.
 sequence.read('fake_sequence.in', dir=sys.path[-1] + 
'/test_suite/shared_data/curve_fitting_disp/Hansen')
@@ -23,6 +24,7 @@
 
 # Relaxation dispersion magnetic field (in Hz).
 frq.set(id='500', frq=500.0 * 1e6)
+frq.set(id='800', frq=800.0 * 1e6)
 
 # Spectrum names.
 names = [
@@ -49,6 +51,7 @@
 
 # Relaxation dispersion CPMG constant time delay T (in s).
 relax_disp.cpmg_delayT(id='500', delayT=0.030)
+relax_disp.cpmg_delayT(id='800', delayT=0.030)
 
 # Relaxation dispersion CPMG frequencies (in Hz).
 cpmg_frq = [
@@ -76,7 +79,8 @@
 # Loop over the spectra.
 for i in xrange(len(names)):
     # Load the peak intensities.
-    spectrum.read_intensities(file=names[i], dir=data_path, 
spectrum_id=names[i], int_method='height')
+    spectrum.read_intensities(file=names[i], dir=data_path_1, 
spectrum_id=names[i], int_method='height')
+    spectrum.read_intensities(file=names[i], dir=data_path_2, 
spectrum_id=names[i], int_method='height')
 
     # Set the relaxation dispersion CPMG frequencies.
     relax_disp.cpmg_frq(cpmg_frq=cpmg_frq[i], spectrum_id=names[i])
@@ -90,7 +94,8 @@
 spectrum.error_analysis()
 
 # Deselect unresolved spins.
-deselect.read(file='unresolved', dir=data_path)
+deselect.read(file='unresolved', dir=data_path_1)
+deselect.read(file='unresolved', dir=data_path_2)
 
 # Grid search.
 grid_search(inc=11)