r21819 - /trunk/test_suite/system_tests/peak_lists.py -- December 06, 2013 - 11:09

Author: tlinnet
Date: Fri Dec  6 11:09:21 2013
New Revision: 21819

URL: http://svn.gna.org/viewcvs/relax?rev=21819&view=rev
Log:
Implemented system test for reading spin ID's from NMRView formatted 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=21819&r1=21818&r2=21819&view=diff
==============================================================================
--- trunk/test_suite/system_tests/peak_lists.py (original)
+++ trunk/test_suite/system_tests/peak_lists.py Fri Dec  6 11:09:21 2013
@@ -139,6 +139,37 @@
             # Check the values.
             for i in range(len(times)):
                 self.assertEqual(spin.intensities[names[i]], 
heights[index][i])
+
+
+    def test_read_spins_peak_list_nmrview(self):
+        """Test the reading of an NMRView peak list."""
+
+        # Read the peak list.
+        self.interpreter.spectrum.read_spins(file="cNTnC.xpk", 
dir=status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=1)
+        self.interpreter.spectrum.read_spins(file="cNTnC.xpk", 
dir=status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=2)
+
+        # 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), 2)
+
+        # 1st residue.
+        self.assertEqual(cdp.mol[0].res[0].num, 70)
+        self.assertEqual(cdp.mol[0].res[0].name, None)
+        self.assertEqual(len(cdp.mol[0].res[0].spin), 2)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N')
+        self.assertEqual(cdp.mol[0].res[0].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'HN')
+
+        # 2nd residue.
+        self.assertEqual(cdp.mol[0].res[1].num, 72)
+        self.assertEqual(cdp.mol[0].res[1].name, None)
+        self.assertEqual(len(cdp.mol[0].res[1].spin), 2)
+        self.assertEqual(cdp.mol[0].res[1].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'N')
+        self.assertEqual(cdp.mol[0].res[1].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[1].spin[1].name, 'HN')
 
 
     def test_read_spins_peak_list_NMRPipe_seriesTab(self):