mailr26788 - /branches/nmrglue/test_suite/system_tests/nmrglue.py


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Posted by tlinnet on November 27, 2014 - 16:43:
Author: tlinnet
Date: Thu Nov 27 16:43:26 2014
New Revision: 26788

URL: http://svn.gna.org/viewcvs/relax?rev=26788&view=rev
Log:
Added the initial systemtest Nmrglue.test_nmrglue_read to read spectrum files 
via nmrglue.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to 
nmrglue, to read .ft2 files and process them.
Homepage: http://www.nmrglue.com/
Link to nmrglue discussion: 
https://groups.google.com/forum/#!forum/nmrglue-discuss
The code is develop at Github: https://github.com/jjhelmus/nmrglue/
Google code: https://code.google.com/p/nmrglue/
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html

Modified:
    branches/nmrglue/test_suite/system_tests/nmrglue.py

Modified: branches/nmrglue/test_suite/system_tests/nmrglue.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/nmrglue/test_suite/system_tests/nmrglue.py?rev=26788&r1=26787&r2=26788&view=diff
==============================================================================
--- branches/nmrglue/test_suite/system_tests/nmrglue.py (original)
+++ branches/nmrglue/test_suite/system_tests/nmrglue.py Thu Nov 27 16:43:26 
2014
@@ -22,6 +22,7 @@
 
 # Python module imports.
 from os import sep
+from tempfile import mkdtemp, NamedTemporaryFile
 
 # relax module imports.
 from data_store import Relax_data_store; ds = Relax_data_store()
@@ -40,6 +41,37 @@
         # Create a data pipe.
         self.interpreter.pipe.create('mf', 'mf')
 
+        # Create a temporary directory for dumping files.
+        ds.tmpdir = mkdtemp()
+
+        # Create path to nmrglue test data.
+        ds.ng_test = status.install_path +sep+ 'extern' +sep+ 'nmrglue' 
+sep+ 'nmrglue_0_4' +sep+ 'tests' +sep+ 'pipe_proc_tests'
+
+
+    def test_nmrglue_read(self):
+        """Test the userfunction spectrum.nmrglue_read."""
+
+        # Read the spectrum.
+        fname = 'freq_real.ft2'
+        sp_id = 'test'
+        self.interpreter.spectrum.nmrglue_read(file=fname, dir=ds.ng_test, 
spectrum_id=sp_id)
+
+        # Test that the spectrum id has been stored.
+        self.assertEqual(cdp.spectrum_ids[0], sp_id)
+
+        # Extract the data.
+        dic  = cdp.ngdata[sp_id].dic
+        udic  = cdp.ngdata[sp_id].udic
+        data = cdp.ngdata[sp_id].data
+
+        # Test the data.
+        self.assertEqual(udic[0]['label'], '15N')
+        self.assertEqual(udic[1]['label'], '13C')
+        self.assertEqual(udic[0]['freq'], True)
+        self.assertEqual(udic[1]['freq'], True)
+        self.assertEqual(udic[0]['size'], 512)
+        self.assertEqual(udic[1]['size'], 4096)
+
 
     def test_version(self):
         """Test version of nmrglue."""




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