r21727 - in /trunk/test_suite/system_tests: relax_disp.py scripts/relax_disp/ns_mmq_3site_branched.py -- December 01, 2013 - 20:56

Author: bugman
Date: Sun Dec  1 20:56:43 2013
New Revision: 21727

URL: http://svn.gna.org/viewcvs/relax?rev=21727&view=rev
Log:
Created the Relax_disp.test_ns_mmq_3site_branched system test.

This is for the 'NS MMQ 3-site (branched)' CPMG dispersion model.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_test_suite


Added:
    trunk/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_branched.py
      - copied, changed from r21726, 
trunk/test_suite/shared_data/dispersion/ns_mmq_3site_branched/relax_results/solution.py
Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=21727&r1=21726&r2=21727&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Sun Dec  1 20:56:43 2013
@@ -2417,6 +2417,16 @@
             spin_index += 1
 
 
+    def test_ns_mmq_3site_branched(self):
+        """Compare the 'NS MMQ 3-site (branched)' dispersion model to 
synthetic data from cpmg_fit."""
+
+        # Execute the script.
+        self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'ns_mmq_3site_branched.py')
+
+        # Check the chi-squared value.
+        self.assertAlmostEqual(cdp.mol[0].res[0].spin[0].chi2, 0.0, 5)
+
+
     def test_r2eff_read(self):
         """Test the operation of the relax_disp.r2eff_read user function."""
 

Copied: 
trunk/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_branched.py 
(from r21726, 
trunk/test_suite/shared_data/dispersion/ns_mmq_3site_branched/relax_results/solution.py)
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_branched.py?p2=trunk/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_branched.py&p1=trunk/test_suite/shared_data/dispersion/ns_mmq_3site_branched/relax_results/solution.py&r1=21726&r2=21727&rev=21727&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/dispersion/ns_mmq_3site_branched/relax_results/solution.py
 (original)
+++ trunk/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_branched.py 
Sun Dec  1 20:56:43 2013
@@ -1,17 +1,16 @@
-"""Compare the synthetic cpmg_fit data to the relax solution.
-
-To run this, type:
-
-$ rm -f solution.log; ../../../../../relax --tee solution.log solution.py
-"""
+"""Compare the synthetic cpmg_fit data to the relax solution."""
 
 # Python module imports.
-from os import remove
-from shutil import move
+from os import sep
 
 # relax module imports.
 from specific_analyses.relax_disp.disp_data import generate_r20_key
 from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ, 
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ, 
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ
+from status import Status; status = Status()
+
+
+# The path to the data files.
+DATA_PATH = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'ns_mmq_3site_branched'
 
 
 # Create a data pipe.
@@ -108,7 +107,7 @@
         relax_disp.cpmg_frq(spectrum_id=new_id, cpmg_frq=cpmg_frq)
 
     # Read the R2eff data.
-    relax_disp.r2eff_read_spin(id=id, file=file, dir='..', spin_id=spin_id, 
disp_point_col=7, data_col=10, error_col=9)
+    relax_disp.r2eff_read_spin(id=id, file=file, dir=DATA_PATH, 
spin_id=spin_id, disp_point_col=7, data_col=10, error_col=9)
 
 # Change the model.
 relax_disp.select_model('NS MMQ 3-site')
@@ -184,13 +183,7 @@
 calc()
 
 # Plot the dispersion curves.
-relax_disp.plot_disp_curves(dir='.', num_points=100, extend=0, force=True)
+relax_disp.plot_disp_curves(dir=ds.tmpdir, num_points=100, extend=0, 
force=True)
 
 # Save the results.
-state.save('cpmg_fit_solution', dir='.', compress_type=1, force=True)
-
-# Cleanup.
-print("\n\nMoving 'disp_9_N.agr' to 'cpmg_fit_solution.agr'.")
-move('disp_9_N.agr', 'cpmg_fit_solution.agr')
-print("Deleting 'grace2images.py'.")
-remove('grace2images.py')
+state.save('state', dir=ds.tmpdir, compress_type=1, force=True)