r20666 - /trunk/test_suite/system_tests/chemical_shift.py -- August 21, 2013 - 16:12

Author: bugman
Date: Wed Aug 21 16:12:46 2013
New Revision: 20666

URL: http://svn.gna.org/viewcvs/relax?rev=20666&view=rev
Log:
Created the Chemical_shift.test_read_xeasy system test.

This is for checking the reading of chemical shifts from a 2D XEasy 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=20666&r1=20665&r2=20666&view=diff
==============================================================================
--- trunk/test_suite/system_tests/chemical_shift.py (original)
+++ trunk/test_suite/system_tests/chemical_shift.py Wed Aug 21 16:12:46 2013
@@ -70,3 +70,32 @@
 
             # Increment the index.
             i += 1
+
+
+    def test_read_xeasy(self):
+        """Test the reading of chemical shifts from a XEasy peak list."""
+
+        # Create the sequence data, and name the spins.
+        for res_num in [21, 96, 104, 110]:
+            self.interpreter.spin.create(res_num=res_num, spin_name='N')
+            self.interpreter.spin.create(res_num=res_num, spin_name='HN')
+        self.interpreter.spin.create(res_num=79, spin_name='NE1')
+        self.interpreter.spin.create(res_num=79, spin_name='HE1')
+
+        # Load the peak list.
+        path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'peak_lists'
+        self.interpreter.chemical_shift.read(file='xeasy_r1_20ms.text', 
dir=path)
+
+        # Test the data.
+        cs = [134.221, 10.014, 118.450, 8.364, 127.582, 9.211, 129.041, 
9.882, 132.592, 10.481]
+        i = 0
+        for spin in spin_loop():
+            # No data.
+            if i > 10:
+                self.assert_(not hasattr(spin, 'chemical_shift'))
+
+            # Check the shift.
+            self.assertEqual(spin.chemical_shift, cs[i])
+
+            # Increment the index.
+            i += 1