r12560 - /1.3/test_suite/system_tests/pdc.py -- February 18, 2011 - 14:37

Author: bugman
Date: Fri Feb 18 14:37:50 2011
New Revision: 12560

URL: http://svn.gna.org/viewcvs/relax?rev=12560&view=rev
Log:
Added a system test for the reading of a PDC NOE file.


Modified:
    1.3/test_suite/system_tests/pdc.py

Modified: 1.3/test_suite/system_tests/pdc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/pdc.py?rev=12560&r1=12559&r2=12560&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/pdc.py (original)
+++ 1.3/test_suite/system_tests/pdc.py Fri Feb 18 14:37:50 2011
@@ -46,6 +46,40 @@
         ds.__reset__()
 
 
+    def test_pdc_read_noe(self):
+        """Test the reading of a PDC NOE file."""
+
+        # Read the sequence data.
+        self.interpreter.sequence.read(file="seq", dir=status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'pdc_files', res_num_col=2, 
res_name_col=1)
+
+        # Read the PDC file.
+        self.interpreter.pdc.read(file="testNOE.txt", 
dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'pdc_files')
+
+        # Check the data pipe structures.
+        self.assertEqual(cdp.frq[0], 600.13)
+        self.assertEqual(cdp.frq_labels[0], '600')
+        self.assertEqual(cdp.ri_labels[0], 'NOE')
+        self.assertEqual(cdp.remap_table[0], 0)
+        self.assertEqual(cdp.noe_r1_table[0], None)
+        self.assertEqual(cdp.num_frq, 1)
+        self.assertEqual(cdp.num_ri, 1)
+
+        # The NOE values and errors.
+        noe = [0.00027, 0.00029999999999999997, 0.00032000000000000003, 
0.00029, 0.00029, 0.00027, 0.00032000000000000003, 0.00031, 
0.00019000000000000001, 0.00022000000000000001, 0.00022000000000000001, 
0.00033, 0.00025000000000000001, 0.00031, 0.00019000000000000001, 
0.00027999999999999998, 0.00025000000000000001, 0.00025999999999999998, 
0.00020000000000000001, 0.00029, 0.00038999999999999999, 0.00035, 
0.00016000000000000001, 0.00036000000000000002, 0.00034000000000000002, 
0.00040000000000000002, 0.00029999999999999997, 0.00022000000000000001, 
0.00027999999999999998, 0.00031, 0.00025999999999999998, 
0.00025000000000000001, 0.00025999999999999998, 0.00027, 0.00029, 0.00033, 
0.00034000000000000002, 0.00036999999999999999, 0.00038000000000000002, 
0.00038999999999999999, 0.00055000000000000003, 0.00029, 
0.00029999999999999997, 0.00025000000000000001, 0.00040999999999999999, 
0.00038000000000000002, 0.00033, 0.00038000000000000002, 
0.00034000000000000002, 0.00033, 0.00027999999999999998, 
0.00027999999999999998, 0.00027999999999999998, 0.00024000000000000001, 
0.00036000000000000002, 0.00029, 0.00027, 0.00034000000000000002, 0.00029, 
0.00024000000000000001, 0.00033, 0.00040000000000000002, 0.00027, 
0.00038000000000000002, 0.00027, 0.00021000000000000001, 
0.00017000000000000001, 0.00020000000000000001, 0.00027999999999999998, 
0.00032000000000000003]
+
+        noe_err = [0.00027, 0.00029999999999999997, 0.00032000000000000003, 
0.00029, 0.00029, 0.00027, 0.00032000000000000003, 0.00031, 
0.00019000000000000001, 0.00022000000000000001, 0.00022000000000000001, 
0.00033, 0.00025000000000000001, 0.00031, 0.00019000000000000001, 
0.00027999999999999998, 0.00025000000000000001, 0.00025999999999999998, 
0.00020000000000000001, 0.00029, 0.00038999999999999999, 0.00035, 
0.00016000000000000001, 0.00036000000000000002, 0.00034000000000000002, 
0.00040000000000000002, 0.00029999999999999997, 0.00022000000000000001, 
0.00027999999999999998, 0.00031, 0.00025999999999999998, 
0.00025000000000000001, 0.00025999999999999998, 0.00027, 0.00029, 0.00033, 
0.00034000000000000002, 0.00036999999999999999, 0.00038000000000000002, 
0.00038999999999999999, 0.00055000000000000003, 0.00029, 
0.00029999999999999997, 0.00025000000000000001, 0.00040999999999999999, 
0.00038000000000000002, 0.00033, 0.00038000000000000002, 
0.00034000000000000002, 0.00033, 0.00027999999999999998, 
0.00027999999999999998, 0.00027999999999999998, 0.00024000000000000001, 
0.00036000000000000002, 0.00029, 0.00027, 0.00034000000000000002, 0.00029, 
0.00024000000000000001, 0.00033, 0.00040000000000000002, 0.00027, 
0.00038000000000000002, 0.00027, 0.00021000000000000001, 
0.00017000000000000001, 0.00020000000000000001, 0.00027999999999999998, 
0.00032000000000000003]
+
+        # Loop over the spins.
+        i = 0
+        for spin in spin_loop():
+            # Check the R1 value and error.
+            self.assertAlmostEqual(spin.relax_data[0], noe[i])
+            self.assertAlmostEqual(spin.relax_error[0], noe_err[i])
+
+            # Increment the data index.
+            i += 1
+
+
     def test_pdc_read_r1(self):
         """Test the reading of a PDC R1 file."""