r20668 - /trunk/test_suite/system_tests/chemical_shift.py -- August 21, 2013 - 16:18

Author: bugman
Date: Wed Aug 21 16:18:17 2013
New Revision: 20668

URL: http://svn.gna.org/viewcvs/relax?rev=20668&view=rev
Log:
Created the Chemical_shift.test_read_nmrview system test.

This, if not obvious from the name, is for checking the reading of chemical 
shifts from an NMRView
peak list.


Modified:
    trunk/test_suite/system_tests/chemical_shift.py

Modified: trunk/test_suite/system_tests/chemical_shift.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/chemical_shift.py?rev=20668&r1=20667&r2=20668&view=diff
==============================================================================
--- trunk/test_suite/system_tests/chemical_shift.py (original)
+++ trunk/test_suite/system_tests/chemical_shift.py Wed Aug 21 16:18:17 2013
@@ -41,6 +41,29 @@
 
         # Create the data pipe.
         self.interpreter.pipe.create('cs', 'mf')
+
+
+    def test_read_nmrview(self):
+        """Test the reading of chemical shifts from an NMRView peak list."""
+
+        # Create the sequence data, and name the spins.
+        self.interpreter.spin.create(res_num=70, spin_name='N')
+        self.interpreter.spin.create(res_num=70, spin_name='HN')
+        self.interpreter.spin.create(res_num=72, spin_name='N')
+        self.interpreter.spin.create(res_num=72, spin_name='HN')
+
+        # Read the peak list.
+        self.interpreter.chemical_shift.read(file="cNTnC.xpk", 
dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists')
+
+        # Test the data.
+        cs = [116.37241, 10.75274, 126.41302, 9.67752]
+        i = 0
+        for spin in spin_loop():
+            # Check the shift.
+            self.assertEqual(spin.chemical_shift, cs[i])
+
+            # Increment the index.
+            i += 1
 
 
     def test_read_sparky(self):