r21838 - /trunk/test_suite/system_tests/peak_lists.py -- December 06, 2013 - 15:35

Author: tlinnet
Date: Fri Dec  6 15:35:08 2013
New Revision: 21838

URL: http://svn.gna.org/viewcvs/relax?rev=21838&view=rev
Log:
Implemented system test for using double assignments in sparky formatted 
files.

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=21838&r1=21837&r2=21838&view=diff
==============================================================================
--- trunk/test_suite/system_tests/peak_lists.py (original)
+++ trunk/test_suite/system_tests/peak_lists.py Fri Dec  6 15:35:08 2013
@@ -334,6 +334,76 @@
         self.assertEqual(len(cdp.mol[0].res[5].spin), 2)
         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_sparky_with_2dim_ass(self):
+        """Test the reading of spins from a Sparky peak list with two 
dimensional assignment"""
+
+        # Read the spins from peak list.
+        self.interpreter.spectrum.read_spins(file="sparky2dim.list", 
dir=status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=1)
+        self.interpreter.spectrum.read_spins(file="sparky2dim.list", 
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), 7)
+
+        # 1st residue.
+        self.assertEqual(cdp.mol[0].res[0].num, 62)
+        self.assertEqual(cdp.mol[0].res[0].name, 'W')
+        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, 'NE1')
+        self.assertEqual(cdp.mol[0].res[0].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'HE1')
+
+        # 2nd residue.
+        self.assertEqual(cdp.mol[0].res[1].num, 10)
+        self.assertEqual(cdp.mol[0].res[1].name, 'L')
+        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')
+
+        # 3rd residue.
+        self.assertEqual(cdp.mol[0].res[2].num, 6)
+        self.assertEqual(cdp.mol[0].res[2].name, 'V')
+        self.assertEqual(len(cdp.mol[0].res[2].spin), 2)
+        self.assertEqual(cdp.mol[0].res[2].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[2].spin[0].name, 'N')
+        self.assertEqual(cdp.mol[0].res[2].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[2].spin[1].name, 'HN')
+
+        # 4th residue.
+        self.assertEqual(cdp.mol[0].res[3].num, 2)
+        self.assertEqual(cdp.mol[0].res[3].name, 'T')
+        self.assertEqual(len(cdp.mol[0].res[3].spin), 2)
+        self.assertEqual(cdp.mol[0].res[3].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[3].spin[0].name, 'N')
+        self.assertEqual(cdp.mol[0].res[3].spin[1].num, None)
+        self.assertEqual(cdp.mol[0].res[3].spin[1].name, 'HN')
+
+        # 5th residue.
+        self.assertEqual(cdp.mol[0].res[4].num, 3)
+        self.assertEqual(cdp.mol[0].res[4].name, 'K')
+        self.assertEqual(len(cdp.mol[0].res[4].spin), 1)
+        self.assertEqual(cdp.mol[0].res[4].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[4].spin[0].name, 'N')
+
+        # 6th residue.
+        self.assertEqual(cdp.mol[0].res[5].num, 4)
+        self.assertEqual(cdp.mol[0].res[5].name, 'A')
+        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')
+
+        # 7th residue.
+        self.assertEqual(cdp.mol[0].res[6].num, 5)
+        self.assertEqual(cdp.mol[0].res[6].name, 'V')
+        self.assertEqual(len(cdp.mol[0].res[6].spin), 1)
+        self.assertEqual(cdp.mol[0].res[6].spin[0].num, None)
+        self.assertEqual(cdp.mol[0].res[6].spin[0].name, 'N')
 
 
     def test_read_spins_peak_list_xeasy(self):