Merge pull request #489 from jcns/fix_dnspaloader

Corrections to LoadDNSLegacy and its documentation.

Code/Mantid/Framework/PythonInterface/plugins/algorithms/LoadDNSLegacy.py

@@ -9,6 +9,8 @@ sys.path.insert(0, os.path.dirname(__file__))
 from dnsdata import DNSdata
 sys.path.pop(0)
 
+POLARISATIONS = ['0', 'x', 'y', 'z', '-x', '-y', '-z']
+
 class LoadDNSLegacy(PythonAlgorithm):
     """
     Load the DNS Legacy data file to the mantid workspace
@@ -35,7 +37,9 @@ class LoadDNSLegacy(PythonAlgorithm):
         self.declareProperty(WorkspaceProperty("OutputWorkspace", \
                 "", direction=Direction.Output), \
                 doc="Name of the workspace to store the experimental data.")
-
+        self.declareProperty("Polarisation", "0", \
+                StringListValidator(POLARISATIONS), \
+                doc="Type of polarisation. Valid values: %s" % str(POLARISATIONS))
         return
 
 
@@ -43,6 +47,7 @@ class LoadDNSLegacy(PythonAlgorithm):
         # Input
         filename = self.getPropertyValue("Filename")
         outws = self.getPropertyValue("OutputWorkspace")
+        pol = self.getPropertyValue("Polarisation")
 
         # load data array from the given file
         data_array = np.loadtxt(filename)
@@ -61,17 +66,28 @@ class LoadDNSLegacy(PythonAlgorithm):
         run = __temporary_workspace__.mutableRun()
         run.setStartAndEndTime(DateAndTime(metadata.start_time), \
                 DateAndTime(metadata.end_time))
+        # add name of file as a run title
+        fname = os.path.splitext(os.path.split(filename)[1])[0]
+        run.addProperty('run_title', fname, True)
+        #run.addProperty('dur_secs', str(metadata.duration), True)
 
         # rotate the detector bank to the proper position
         api.RotateInstrumentComponent(__temporary_workspace__, \
                 "bank0", X=0, Y=1, Z=0, Angle=metadata.deterota)
-        # add sample log Ei
-        energy = get_energy(metadata.wavelength)
+        # add sample log Ei and wavelength
+        api.AddSampleLog(__temporary_workspace__, \
+                'Ei', LogText=str(metadata.incident_energy), \
+                LogType='Number')
         api.AddSampleLog(__temporary_workspace__, \
-                'Ei', LogText=str(energy), LogType='Number')
+                'wavelength', LogText=str(metadata.wavelength), \
+                LogType='Number')
         # add other sample logs
         api.AddSampleLog(__temporary_workspace__, 'deterota', \
                 LogText=str(metadata.deterota), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'mon_sum', \
+                LogText=str(metadata.monitor_counts), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'duration', \
+                LogText=str(metadata.duration), LogType='Number')
         api.AddSampleLog(__temporary_workspace__, 'huber', \
                 LogText=str(metadata.huber), LogType='Number')
         api.AddSampleLog(__temporary_workspace__, 'T1', \
@@ -80,6 +96,28 @@ class LoadDNSLegacy(PythonAlgorithm):
                 LogText=str(metadata.t2), LogType='Number')
         api.AddSampleLog(__temporary_workspace__, 'Tsp', \
                 LogText=str(metadata.tsp), LogType='Number')
+        # flipper
+        api.AddSampleLog(__temporary_workspace__, 'flipper_precession', \
+                LogText=str(metadata.flipper_precession_current), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'flipper_z_compensation', \
+                LogText=str(metadata.flipper_z_compensation_current), LogType='Number')
+        flipper_status = 'OFF'
+        if abs(metadata.flipper_precession_current) > sys.float_info.epsilon:
+            flipper_status = 'ON'
+        api.AddSampleLog(__temporary_workspace__, 'flipper', \
+                LogText=flipper_status, LogType='String')
+        # coil currents
+        api.AddSampleLog(__temporary_workspace__, 'C_a', \
+                LogText=str(metadata.a_coil_current), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'C_b', \
+                LogText=str(metadata.b_coil_current), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'C_c', \
+                LogText=str(metadata.c_coil_current), LogType='Number')
+        api.AddSampleLog(__temporary_workspace__, 'C_z', \
+                LogText=str(metadata.z_coil_current), LogType='Number')
+        # type of polarisation
+        api.AddSampleLog(__temporary_workspace__, 'polarisation', \
+                LogText=pol, LogType='String')
 
         self.setProperty("OutputWorkspace", __temporary_workspace__)
         self.log().debug('LoadDNSLegacy: OK')

Code/Mantid/Framework/PythonInterface/plugins/algorithms/dnsdata.py

@@ -15,6 +15,7 @@ class DNSdata:
         self.duration = None
         self.deterota = 0
         self.wavelength = None          # Angstrom
+        self.incident_energy = None     # meV
         self.ndet = 24
         self.sample_name = ""
         self.userid = ""
@@ -113,6 +114,7 @@ class DNSdata:
             line = b2splitted[2].split()
             self.monochromator_angle = float(line[2])
             self.wavelength = float(line[3])*10.0
+            self.incident_energy = float(line[4])
 
             # parse block 3 (motors position)
             b3splitted = map(str.strip, blocks[3].split('#'))

Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/LoadDNSLegacyTest.py

@@ -12,7 +12,7 @@ class LoadDNSLegacyTest(unittest.TestCase):
         outputWorkspaceName = "LoadDNSLegacyTest_Test1"
         filename = "dn134011vana.d_dat"
         alg_test = run_algorithm("LoadDNSLegacy", Filename = filename, \
-                OutputWorkspace = outputWorkspaceName)
+                OutputWorkspace = outputWorkspaceName, Polarisation='y')
                 
         self.assertTrue(alg_test.isExecuted())
         
@@ -25,14 +25,13 @@ class LoadDNSLegacyTest(unittest.TestCase):
         self.assertEqual(31461, ws.readY(1))
         self.assertEqual(13340, ws.readY(23))
         # sample logs
-        logs = ws.getRun().getLogData()
-        self.assertEqual('deterota', logs[4].name)
-        self.assertEqual(-8.54, logs[4].value)
+        run = ws.getRun()
+        self.assertEqual(-8.54, run.getProperty('deterota').value)
+        self.assertEqual(8332872, run.getProperty('mon_sum').value)
+        self.assertEqual('y', run.getProperty('polarisation').value)
         # check whether detector bank is rotated
-        samplePos = ws.getInstrument().getSample().getPos()
-        beamDirection = V3D(0,0,1)
         det = ws.getDetector(1)
-        self.assertAlmostEqual(8.54, det.getTwoTheta(samplePos, beamDirection)*180/pi)
+        self.assertAlmostEqual(8.54, ws.detectorSignedTwoTheta(det)*180/pi)
         run_algorithm("DeleteWorkspace", Workspace = outputWorkspaceName)
         return
 

Code/Mantid/docs/source/algorithms/LoadDNSLegacy-v1.rst

@@ -10,7 +10,7 @@ Description
 -----------
 
 Loads a DNS legacy .d_dat data file into a :ref:`Workspace2D <Workspace2D>` with
-the given name.
+the given name. 
 
 The loader rotates the detector bank in the position given in the data file.
 
@@ -27,7 +27,7 @@ Usage
    datafile = 'dn134011vana.d_dat'
 
    # Load dataset
-   ws = LoadDNSLegacy(datafile)
+   ws = LoadDNSLegacy(datafile, Polarisation='x')
 
    print "This workspace has", ws.getNumDims(), "dimensions and has", \
         ws.getNumberHistograms(), "histograms."