r19429 - /trunk/test_suite/system_tests/scripts/relax_fit.py -- April 10, 2013 - 16:21

Author: bugman
Date: Wed Apr 10 16:21:16 2013
New Revision: 19429

URL: http://svn.gna.org/viewcvs/relax?rev=19429&view=rev
Log:
Expanded the relax_fit system test script to produce all types of currently 
supported Grace graphs.

This is to more extensively test the grace.write user function.


Modified:
    trunk/test_suite/system_tests/scripts/relax_fit.py

Modified: trunk/test_suite/system_tests/scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_fit.py?rev=19429&r1=19428&r2=19429&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_fit.py (original)
+++ trunk/test_suite/system_tests/scripts/relax_fit.py Wed Apr 10 16:21:16 
2013
@@ -13,6 +13,9 @@
 if not hasattr(ds, 'int_type'):
     ds.int_type = 'height'
 
+# Missing temporary directory.
+if not hasattr(ds, 'tmpdir'):
+    ds.tmpdir = 'temp'
 
 # Create the data pipe.
 pipe.create('rx', 'relax_fit')
@@ -104,11 +107,25 @@
 results.write(file='devnull', force=True)
 
 # Create Grace plots of the data.
-grace.write(y_data_type='chi2', file='devnull', force=True)    # Minimised 
chi-squared value.
-grace.write(y_data_type='i0', file='devnull', force=True)    # Initial peak 
intensity.
-grace.write(y_data_type='rx', file='devnull', force=True)    # Relaxation 
rate.
-grace.write(x_data_type='relax_times', y_data_type='intensities', 
file='devnull', force=True)    # Average peak intensities.
-grace.write(x_data_type='relax_times', y_data_type='intensities', norm=True, 
file='devnull', force=True)    # Average peak intensities (normalised).
+grace.write(y_data_type='chi2', file='chi2.agr', dir=ds.tmpdir, force=True)  
  # Minimised chi-squared value.
+grace.write(y_data_type='i0', file='i0.agr', dir=ds.tmpdir, force=True)    # 
Initial peak intensity.
+grace.write(y_data_type='rx', file='rx.agr', dir=ds.tmpdir, force=True)    # 
Relaxation rate.
+grace.write(y_data_type='rx', file='rx_err.agr', dir=ds.tmpdir, 
plot_data='error', force=True)    # Relaxation rate.
+grace.write(y_data_type='rx', file='rx_sim.agr', dir=ds.tmpdir, 
plot_data='sim', force=True)    # Relaxation rate.
+grace.write(x_data_type='i0', y_data_type='rx', file='i0_vs_rx.agr', 
dir=ds.tmpdir, force=True)    # Relaxation rate.
+grace.write(x_data_type='i0', y_data_type='rx', file='i0_vs_rx_err.agr', 
plot_data='error', dir=ds.tmpdir, force=True)    # Relaxation rate.
+grace.write(x_data_type='i0', y_data_type='rx', file='i0_vs_rx_sim.agr', 
plot_data='sim', dir=ds.tmpdir, force=True)    # Relaxation rate.
+grace.write(x_data_type='relax_times', y_data_type='intensities', 
file='curves.agr', dir=ds.tmpdir, force=True)    # Average peak intensities.
+grace.write(x_data_type='relax_times', y_data_type='intensities', norm=True, 
file='curves_norm.agr', dir=ds.tmpdir, force=True)    # Average peak 
intensities (normalised).
+
+# Create Grace plots with the axes reversed.
+grace.write(x_data_type='chi2', y_data_type='res_num', file='chi2_rev.agr', 
dir=ds.tmpdir, force=True)    # Minimised chi-squared value.
+grace.write(x_data_type='i0', y_data_type='res_num', file='i0_rev.agr', 
dir=ds.tmpdir, force=True)    # Initial peak intensity.
+grace.write(x_data_type='rx', y_data_type='res_num', file='rx_rev.agr', 
dir=ds.tmpdir, force=True)    # Relaxation rate.
+grace.write(x_data_type='rx', y_data_type='res_num', file='rx_err_rev.agr', 
dir=ds.tmpdir, plot_data='error', force=True)    # Relaxation rate.
+grace.write(x_data_type='rx', y_data_type='res_num', file='rx_sim_rev.agr', 
dir=ds.tmpdir, plot_data='sim', force=True)    # Relaxation rate.
+grace.write(x_data_type='intensities', y_data_type='relax_times', 
file='curves_rev.agr', dir=ds.tmpdir, force=True)    # Average peak 
intensities.
+grace.write(x_data_type='intensities', y_data_type='relax_times', norm=True, 
file='curves_norm_rev.agr', dir=ds.tmpdir, force=True)    # Average peak 
intensities (normalised).
 
 # Save the program state.
 state.save('devnull', force=True)