r21829 - /trunk/test_suite/system_tests/peak_lists.py -- December 06, 2013 - 13:23

Author: tlinnet
Date: Fri Dec  6 13:23:29 2013
New Revision: 21829

URL: http://svn.gna.org/viewcvs/relax?rev=21829&view=rev
Log:
Implemented system test for reading spins from an xeasy file.

Work in progress for Support Request #3044, 
(https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Modified:
    trunk/test_suite/system_tests/peak_lists.py

Modified: trunk/test_suite/system_tests/peak_lists.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/peak_lists.py?rev=21829&r1=21828&r2=21829&view=diff
==============================================================================
--- trunk/test_suite/system_tests/peak_lists.py (original)
+++ trunk/test_suite/system_tests/peak_lists.py Fri Dec  6 13:23:29 2013
@@ -331,6 +331,49 @@
         self.assertEqual(len(cdp.mol[0].res[5].spin), 1)
         self.assertEqual(cdp.mol[0].res[5].spin[0].num, None)
         self.assertEqual(cdp.mol[0].res[5].spin[0].name, 'N')
+
+
+    def test_read_spins_peak_list_xeasy(self):
+        """Test the reading of spins from an XEasy peak list."""
+
+        # Read the peak list.
+        self.interpreter.spectrum.read_spins(file="xeasy_r1_20ms.text", 
dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists')
+
+        # Test some of the sequence.
+        self.assertEqual(len(cdp.mol), 1)
+        self.assertEqual(cdp.mol[0].name, None)
+        self.assertEqual(len(cdp.mol[0].res), 21)
+
+        # 1st residue.
+        self.assertEqual(cdp.mol[0].res[0].num, 21)
+        self.assertEqual(cdp.mol[0].res[0].name, 'LEU')
+        self.assertEqual(len(cdp.mol[0].res[0].spin), 1)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N')
+
+        # 2nd residue.
+        self.assertEqual(cdp.mol[0].res[1].num, 79)
+        self.assertEqual(cdp.mol[0].res[1].name, 'TRP')
+        self.assertEqual(len(cdp.mol[0].res[1].spin), 1)
+        self.assertEqual(cdp.mol[0].res[1].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'NE1')
+
+        # 3rd residue.
+        self.assertEqual(cdp.mol[0].res[2].num, 110)
+        self.assertEqual(cdp.mol[0].res[2].name, 'PHE')
+        self.assertEqual(len(cdp.mol[0].res[2].spin), 1)
+        self.assertEqual(cdp.mol[0].res[2].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[2].spin[0].name, 'N')
+
+        # 10th residue.
+        self.assertEqual(cdp.mol[0].res[9].num, 107)
+        self.assertEqual(cdp.mol[0].res[9].name, 'TRP')
+        self.assertEqual(len(cdp.mol[0].res[9].spin), 2)
+        self.assertEqual(cdp.mol[0].res[9].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[9].spin[0].name, 'N')
+        self.assertEqual(cdp.mol[0].res[9].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[9].spin[1].name, 'C')
+
 
     def test_read_peak_list_generic(self):
         """Test the reading of a generic peak intensity list."""