r8123 - in /1.3: generic_fns/spectrum.py test_suite/system_tests/peak_lists.py -- December 04, 2008 - 03:21

Author: semor
Date: Thu Dec  4 03:21:37 2008
New Revision: 8123

URL: http://svn.gna.org/viewcvs/relax?rev=8123&view=rev
Log:
Finalized the code for the reading of intensities from the generic file.

The test now passes after reading in multiple intensities from a single file.


Modified:
    1.3/generic_fns/spectrum.py
    1.3/test_suite/system_tests/peak_lists.py

Modified: 1.3/generic_fns/spectrum.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/spectrum.py?rev=8123&r1=8122&r2=8123&view=diff
==============================================================================
--- 1.3/generic_fns/spectrum.py (original)
+++ 1.3/generic_fns/spectrum.py Thu Dec  4 03:21:37 2008
@@ -451,16 +451,17 @@
 
     # Extract intensities.
     try:
-        intensity = float(line[6])
+        intensity = [float(line[6])]
     except ValueError:
         raise RelaxError, "The peak intensity value " + `intensity` + " from 
the line " + `line` + " is invalid."
 
-    print intensity
-
-    #i = 0
-    #while i < num_delays:
-    #    i = i + 1
-    #    intensity = line[i + 5]
+    i = 1
+    while i < num_delays:
+        i = i + 1
+        try:
+            intensity.append(float(line[i + 5]))
+        except ValueError:
+            raise RelaxError, "The peak intensity value " + `intensity` + " 
from the line " + `line` + " is invalid."
 
     # Return the data.
     return res_num, h_name, x_name, intensity
@@ -825,7 +826,10 @@
             spin.intensities = []
 
         # Add the data.
-        spin.intensities.append(intensity)
+        if format == 'generic':
+            spin.intensities = intensity
+        else:
+            spin.intensities.append(intensity)
 
 
 def replicated(spectrum_ids=None):

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=8123&r1=8122&r2=8123&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/peak_lists.py (original)
+++ 1.3/test_suite/system_tests/peak_lists.py Thu Dec  4 03:21:37 2008
@@ -65,10 +65,15 @@
 
         # Test the data.
         self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.0000)
-        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.0000)
-        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.0000)
-        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.0000)
-        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 1.0000)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[1], 0.9714)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[2], 0.9602)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[3], 0.9626)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[4], 0.8839)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[5], 0.8327)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[6], 0.7088)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[7], 0.5098)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[8], 0.2410)
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[9], 0.1116)
 
 
     def test_read_peak_list_nmrview(self):