r8095 - /1.3/test_suite/system_tests/peak_lists.py -- December 02, 2008 - 16:30

Author: semor
Date: Tue Dec  2 16:30:36 2008
New Revision: 8095

URL: http://svn.gna.org/viewcvs/relax?rev=8095&view=rev
Log:
Added more system tests for the reading of an XEasy peak list with different 
spins.

Not sure if defining new functions was absolutely needed, but it works.


Modified:
    1.3/test_suite/system_tests/peak_lists.py

Modified: 1.3/test_suite/system_tests/peak_lists.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/peak_lists.py?rev=8095&r1=8094&r2=8095&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/peak_lists.py (original)
+++ 1.3/test_suite/system_tests/peak_lists.py Tue Dec  2 16:30:36 2008
@@ -151,17 +151,65 @@
         self.assertEqual(cdp.mol[0].res[5].spin[0].intensities[0], 9.305e+03)
         self.assertEqual(cdp.mol[0].res[6].spin[0].intensities[0], 3.154e+04)
         self.assertEqual(cdp.mol[0].res[7].spin[0].intensities[0], 9.180e+03)
-        #self.assertEqual(cdp.mol[0].res[8].spin[0].intensities[0], 
1.532e+04)
         self.assertEqual(cdp.mol[0].res[9].spin[0].intensities[0], 1.104e+04)
         self.assertEqual(cdp.mol[0].res[10].spin[0].intensities[0], 
7.680e+03)
         self.assertEqual(cdp.mol[0].res[11].spin[0].intensities[0], 
5.206e+03)
         self.assertEqual(cdp.mol[0].res[12].spin[0].intensities[0], 
2.863e+04)
-        #self.assertEqual(cdp.mol[0].res[13].spin[0].intensities[0], 
6.877e+03)
         self.assertEqual(cdp.mol[0].res[14].spin[0].intensities[0], 
9.271e+03)
         self.assertEqual(cdp.mol[0].res[15].spin[0].intensities[0], 
7.919e+03)
-        #self.assertEqual(cdp.mol[0].res[15].spin[1].intensities[0], 
7.123e+03)
         self.assertEqual(cdp.mol[0].res[16].spin[0].intensities[0], 
9.962e+03)
         self.assertEqual(cdp.mol[0].res[17].spin[0].intensities[0], 
1.260e+04)
         self.assertEqual(cdp.mol[0].res[18].spin[0].intensities[0], 
1.545e+04)
         self.assertEqual(cdp.mol[0].res[19].spin[0].intensities[0], 
1.963e+04)
         self.assertEqual(cdp.mol[0].res[20].spin[0].intensities[0], 
1.918e+04)
+
+
+    def test_read_peak_list_xeasy_2(self):
+        """Test the reading of an XEasy peak list (2)."""
+
+        # Get the current data pipe.
+        cdp = pipes.get_pipe()
+
+        # Create the sequence data, and name the spins.
+        self.relax.interpreter._Residue.create(79)
+        self.relax.interpreter._Spin.name(name='NE1')
+
+        # Read the peak list.
+        
self.relax.interpreter._Spectrum.read_intensities(file="xeasy_r1_20ms.text", 
dir=sys.path[-1] + "/test_suite/shared_data/peak_lists", spectrum_id='test', 
heteronuc='NE1', proton='HE1', int_method='height')
+
+        # Test the data.
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.532e+04)
+
+
+    def test_read_peak_list_xeasy_3(self):
+        """Test the reading of an XEasy peak list (3)."""
+
+        # Get the current data pipe.
+        cdp = pipes.get_pipe()
+
+        # Create the sequence data, and name the spins.
+        self.relax.interpreter._Residue.create(100)
+        self.relax.interpreter._Spin.name(name='C')
+
+        # Read the peak list.
+        
self.relax.interpreter._Spectrum.read_intensities(file="xeasy_r1_20ms.text", 
dir=sys.path[-1] + "/test_suite/shared_data/peak_lists", spectrum_id='test', 
heteronuc='C', int_method='height')
+
+        # Test the data.
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 6.877e+03)
+
+
+    def test_read_peak_list_xeasy_4(self):
+        """Test the reading of an XEasy peak list (4)."""
+
+        # Get the current data pipe.
+        cdp = pipes.get_pipe()
+
+        # Create the sequence data, and name the spins.
+        self.relax.interpreter._Residue.create(107)
+        self.relax.interpreter._Spin.name(name='C')
+
+        # Read the peak list.
+        
self.relax.interpreter._Spectrum.read_intensities(file="xeasy_r1_20ms.text", 
dir=sys.path[-1] + "/test_suite/shared_data/peak_lists", spectrum_id='test', 
heteronuc='C', proton='HE1', int_method='height')
+
+        # Test the data.
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 7.123e+03)