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."""