Updated mvi test

MDANSE/Framework/Jobs/McStasVirtualInstrument.py

@@ -48,9 +48,9 @@ from MDANSE.Externals.magnitude import magnitude
 from MDANSE.Framework.Jobs.IJob import IJob
 from MDANSE.MolecularDynamics.Trajectory import sorted_atoms
 
-MCSTAS_UNITS_LUT = {'THz': magnitude.mg(1,"THz","meV_eq").toval(), 
+MCSTAS_UNITS_LUT = {'THz': magnitude.mg(1,"THz","meV(freq)").toval(), 
                     'nm**2' : magnitude.mg(1,"nm2","b").toval(),
-                    'inv_nm' : magnitude.mg(1,"inv_nm","inv_ang").toval()
+                    'inv_nm' : magnitude.mg(1,"1/nm","1/ang").toval()
                     } 
 
 class McStasError(Error):
@@ -79,11 +79,11 @@ class McStasVirtualInstrument(IJob):
     settings['frames'] = ('frames', {"dependencies":{'trajectory':'trajectory'}})
     settings['sample_coh'] = ('netcdf_input_file', {"widget":'input_file',
                                                     "label":'MDANSE Coherent Structure Factor',
-                                                    "variables":['q','omega','s(q,f)_total'],
+                                                    "variables":['q','frequency','s(q,f)_total'],
                                                     'default' : os.path.join('..','..','..','Data','NetCDF','dcsf_prot.nc')})
     settings['sample_inc'] = ('netcdf_input_file', {"widget":'input_file',
                                                     "label":'MDANSE Incoherent Structure Factor',
-                                                    "variables" :['q','omega','s(q,f)_total'],
+                                                    "variables" :['q','frequency','s(q,f)_total'],
                                                     'default':os.path.join('..','..','..','Data','NetCDF','disf_prot.nc')})
     settings['temperature'] = ('float', {"default":298.0})
     settings['display'] = ('boolean', {'label':'trace the 3D view of the simulation'})
@@ -170,13 +170,13 @@ class McStasVirtualInstrument(IJob):
         cmdLine.append(sqwInput)
         cmdLine.append(trace)
         cmdLine.extend(parameters)
-
+        
         s = subprocess.Popen(" ".join(cmdLine), stdout=subprocess.PIPE, stderr=subprocess.STDOUT, shell=True)
         out,_ = s.communicate()
         
         for line in out.splitlines():
             if "ERROR" in line:
-                raise McStasError("An error occured during McStas run: %s" % line)
+                raise McStasError("An error occured during McStas run: %s" % out)
                 
         with open(os.path.join(self.configuration["options"]["mcstas_output_directory"],"mcstas_mdanse.mvi"),"w") as f:
             f.write(out)

Tests/FunctionalTests/Jobs/Test_mvi.py

@@ -11,9 +11,9 @@ class TestMVI(UnitTest):
         parameters['display'] = False
         parameters['frames'] = (0, 10, 1)
         parameters['instrument'] = '../../../Data/McStas/Instruments/Simple_ToF_Flat_Sample.out'
-        parameters['options'] = {'ncount': 10000, 'dir': '/tmp/mcstas_output/06.10.2015-17:23:53'}
+        parameters['options'] = {'ncount': 10000, 'dir': '/tmp/mcstas_output/27.01.2016-14:49:51'}
         parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['parameters'] = {'beam_wavelength_Angs': 2.0, 'container_thickness_m': 5e-05, 'environment_radius_m': 0.025, 'sample_detector_distance_m': 4.0, 'container': '/users/pellegrini/workspace/MDANSE/Data/McStas/Samples/Al.laz', 'environment_thickness_m': 0.002, 'detector_height_m': 3.0, 'beam_resolution_meV': 0.1, 'sample_height_m': 0.05, 'sample_thickness_m': 0.001, 'environment': '/users/pellegrini/workspace/MDANSE/Data/McStas/Samples/Al.laz', 'sample_width_m': 0.02, 'sample_rotation_deg': 45.0}
+        parameters['parameters'] = {'beam_wavelength_Angs': 2.0, 'container_thickness_m': 5e-05, 'environment_radius_m': 0.025, 'sample_detector_distance_m': 4.0, 'container': '/home/pellegrini/git/mdanse/Data/McStas/Samples/Al.laz', 'environment_thickness_m': 0.002, 'detector_height_m': 3.0, 'beam_resolution_meV': 0.1, 'sample_height_m': 0.05, 'sample_thickness_m': 0.001, 'environment': '/home/pellegrini/git/mdanse/Data/McStas/Samples/Al.laz', 'sample_width_m': 0.02, 'sample_rotation_deg': 45.0}
         parameters['sample_coh'] = '../../../Data/NetCDF/dcsf_prot.nc'
         parameters['sample_inc'] = '../../../Data/NetCDF/disf_prot.nc'
         parameters['temperature'] = 298.0

Tests/FunctionalTests/Jobs/Test_test.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestTEST(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['test']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestTEST))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)