Python api.WorkspaceFactory类代码示例

    def PyExec(self):
        """ Main Execution Body
        """
        # 1. Setup output workspaces
        paramWS = WorkspaceFactory.createTable()
        self.setProperty("InstrumentParameterWorkspace", paramWS)

        hklWS = WorkspaceFactory.createTable()
        self.setProperty("BraggPeakParameterWorkspace", hklWS)

        # 2. Get Other Properties
        instrument = self.getProperty("Instrument")
        reflectionfilename = self.getPropertyValue("ReflectionsFile")
        irffilename = self.getPropertyValue("FullprofParameterFile")

        # 3. Import reflections list
        hkldict = self.importFullProfHKLFile(reflectionfilename)

        hkllist = sorted(hkldict.keys())
        if _OUTPUTLEVEL == "INFORMATION":
            for hkl in hkllist:
                print "Import Peak (%d, %d, %d): FWHM = %f" % (hkl[0], hkl[1], hkl[2], hkldict[hkl]["FWHM"])

        # 4. Import parameter file (.irf)
        peakparamsdict = self.parseFullprofPeakProfileFile(irffilename)

        # 5. Set up the table workspaces 
        self.createPeakParameterWorkspace(peakparamsdict, paramWS)
        self.createReflectionWorkspace(hkldict, hklWS)

        return

    def _loadFullprofPrfFile(self, prffilename):
        """ Load Fullprof .prf file
        """
        # 1. Parse the file to dictionary
        infodict, data = self._parseFullprofPrfFile(prffilename)

        # 2. Export information to table file
        tablews = WorkspaceFactory.createTable()
        tablews.addColumn("str", "Name")
        tablews.addColumn("double", "Value")
        for parname in infodict.keys():
            parvalue = infodict[parname]
            tablews.addRow([parname, parvalue])

        # 3. Export the data workspace
        datasize = len(data)
        print "Data Size = ", datasize
        dataws = WorkspaceFactory.create("Workspace2D", 4, datasize, datasize)
        for i in xrange(datasize):
            for j in xrange(4):
                dataws.dataX(j)[i] = data[i][0]
                dataws.dataY(j)[i] = data[i][j+1]
                dataws.dataE(j)[i] = 1.0

        return (tablews, dataws)

    def test_that_can_add_workspaces_to_WorkspaceGroup_when_not_in_ADS(self):
        ws1 = WorkspaceFactory.create("Workspace2D", 2, 2, 2)
        ws2 = WorkspaceFactory.create("Workspace2D", 2, 2, 2)

        ws_group = WorkspaceGroup()

        ws_group.addWorkspace(ws1)
        ws_group.addWorkspace(ws2)

        self.assertEqual(ws_group.size(), 2)

    def test_adding_table_data_using_numpy(self):
        table = WorkspaceFactory.createTable()
        table.addColumn(type="int",name="index")
        self.assertEquals(table.columnCount(), 1)
        table.addColumn(type="int",name="value")
        self.assertEquals(table.columnCount(), 2)

        nextrow = [1, 10]
        values32 = numpy.array(nextrow).astype(numpy.int32)
        values64 = numpy.array(nextrow).astype(numpy.int64)

        table.addRow(values32)
        self.assertEquals(len(table), 1)
        insertedrow = table.row(0)
        self.assertEquals(1, insertedrow['index'])
        self.assertEquals(10, insertedrow['value'])

        table.addRow(values64)
        self.assertEquals(len(table), 2)
        insertedrow = table.row(1)
        self.assertEquals(1, insertedrow['index'])
        self.assertEquals(10, insertedrow['value'])

        incorrect_type = numpy.array(['1', '10'])
        self.assertRaises(TypeError, table.addRow, incorrect_type)

 def test_creating_a_workspace_from_another_gives_one_of_same_size(self):
     nhist = 2
     xlength = 3
     ylength = 4
     clean = self._create_clean_workspace(nhist, xlength, ylength)
     copy = WorkspaceFactory.create(clean)
     self._verify(copy, nhist, xlength, ylength)

 def test_creating_a_workspace_from_another_with_different_size(self):
     clean = self._create_clean_workspace(nhist=2, xlength=3, ylength=4)
     nhist = 4
     xlength = 5
     ylength = 6
     copy = WorkspaceFactory.create(clean, nhist, xlength, ylength)
     self._verify(copy, nhist, xlength, ylength)

    def PyExec(self):
        """ Main Execution Body
        """
        # 1. Get Input properties
        inppeakws = self.getProperty("BraggPeakParameterWorkspace").value
        inpzscows = self.getProperty("ZscoreWorkspace").value

        minpeakheight = float(self.getPropertyValue("MinimumPeakHeight"))
        zscorefilterstr = self.getPropertyValue("ZscoreFilter")

        print "Input: PeakParameterWorkspace = %s;  ZscoreWorkspace = %s" % (inppeakws.name, inpzscows.name)
        print "       Minimum peak height = %f" % (minpeakheight)
        print "       Zscore filter: %s" % (zscorefilterstr)

        # 3. Parse Zscore table and peak parameters
        self.mPeaks = {}

        zscoredict = self.parseBraggPeakParameterTable(inpzscows)
        self.mPeaks = self.parseBraggPeakParameterTable(inppeakws)

        # 4. Filter by peak height
        self.filterByPeakHeight(minpeakheight)

        # 5. Filter by zscore
        zscorefilterdict = self.parseZscoreFilter(zscorefilterstr)
        self.filterByZscore(zscoredict, zscorefilterdict)

        # 6. Generate the output
        paramWS = WorkspaceFactory.createTable()
        self.genBraggPeakParameterWorkspace(paramWS)
        self.setProperty("OutputBraggPeakParameterWorkspace", paramWS)

        return

 def test_table_is_resized_correctly(self):
     table = WorkspaceFactory.createTable()
     self.assertEquals(len(table), 0)
     table.setRowCount(5)
     self.assertEquals(len(table), 5)
     self.assertTrue(table.addColumn(type="int",name="index"))
     self.assertEquals(table.columnCount(), 1)

 def _create_test_table(self):
     table = WorkspaceFactory.createTable()
     table.addColumn(type="int", name="index")
     table.addColumn(type="str", name="name")
     table.addRow([0, "1"])
     table.addRow([0, "2"])
     table.addRow([0, "3"])
     return table

 def _create_test_table(self):
     table = WorkspaceFactory.createTable()
     table.addColumn(type='int', name='index')
     table.addColumn(type='str', name='name')
     table.addRow([0,'1'])
     table.addRow([0,'2'])
     table.addRow([0,'3'])
     return table

    def test_set_and_extract_v3d_columns(self):
        from mantid.kernel import V3D

        table = WorkspaceFactory.createTable()
        table.addColumn(type='V3D', name='pos')
        table.addRow([V3D(1,1,1)])

        self.assertEquals(V3D(1,1,1), table.cell(0, 0))

    def test_setting_spectra_from_array_using_incorrect_index_raises_error(self):
        nvectors = 2
        xlength = 11
        ylength = 10

        test_ws = WorkspaceFactory.create("Workspace2D", nvectors, xlength, ylength)
        xvalues = np.arange(xlength)
        self.assertRaises(RuntimeError, test_ws.setX, 3, xvalues)

 def test_set_and_extract_boolean_columns(self):
     table = WorkspaceFactory.createTable()
     table.addColumn(type='bool', name='yes_no')
     table.addRow([True])
     table.addRow([False])
     
     self.assertTrue(table.cell(0, 0))
     self.assertFalse(table.cell(1, 0))

    def test_setting_spectra_from_array_of_incorrect_length_raises_error(self):
        nvectors = 2
        xlength = 11
        ylength = 10
        test_ws = WorkspaceFactory.create("Workspace2D", nvectors, xlength, ylength)

        values = np.arange(xlength + 1)
        self.assertRaises(ValueError, test_ws.setX, 0, values)
        self.assertRaises(ValueError, test_ws.setY, 0, values)
        self.assertRaises(ValueError, test_ws.setE, 0, values)

    def runTest(self):
        PDLoadCharacterizations(Filename=self.char_file, OutputWorkspace='characterizations',
                                SpectrumIDs='1', L2='3.18', Polar='90', Azimuthal='0')

        self.wksp_mem = os.path.basename(self.data_file).split('.')[0]
        self.wksp_mem, self.wksp_file = self.wksp_mem + '_mem', self.wksp_mem + '_file'

        # load then process
        LoadEventAndCompress(Filename=self.data_file, OutputWorkspace=self.wksp_mem, MaxChunkSize=16, FilterBadPulses=0)
        LoadDiffCal(Filename=self.cal_file, InputWorkspace=self.wksp_mem, WorkspaceName='PG3')
        PDDetermineCharacterizations(InputWorkspace=self.wksp_mem, Characterizations='characterizations',
                                     ReductionProperties='__snspowderreduction_inner')

        # set-up the absorption calculation
        num_wl_bins = 200
        prop_manager = PropertyManagerDataService.retrieve('__snspowderreduction_inner')
        wl_min, wl_max = prop_manager['wavelength_min'].value, prop_manager['wavelength_max'].value  # 0.05, 2.20
        absorptionWS = WorkspaceFactory.create(mtd[self.wksp_mem],
                                               NVectors=mtd[self.wksp_mem].getNumberHistograms(), XLength=num_wl_bins+1,
                                               YLength=num_wl_bins)
        xaxis = np.arange(0., float(num_wl_bins + 1)) * (wl_max - wl_min) / (num_wl_bins) + wl_min
        for i in range(absorptionWS.getNumberHistograms()):
            absorptionWS.setX(i, xaxis)
        absorptionWS.getAxis(0).setUnit('Wavelength')
        mantid.api.AnalysisDataService.addOrReplace('V_abs', absorptionWS)
        SetSample(InputWorkspace='V_abs',
                  Material={'ChemicalFormula': 'V', 'SampleNumberDensity': 0.0721},
                  Geometry={'Shape': 'Cylinder', 'Height': 6.97, 'Radius': (0.63 / 2), 'Center': [0., 0., 0.]})
        self.assertEqual(absorptionWS.getNumberBins(), num_wl_bins)
        # calculate the absorption
        CylinderAbsorption(InputWorkspace='V_abs', OutputWorkspace='V_abs',
                           NumberOfSlices=20, NumberOfAnnuli=3)

        # do the work in memory
        ConvertUnits(InputWorkspace=self.wksp_mem, OutputWorkspace=self.wksp_mem, Target='Wavelength')
        Divide(LHSWorkspace=self.wksp_mem, RHSWorkspace='V_abs', OutputWorkspace=self.wksp_mem)
        ConvertUnits(InputWorkspace=self.wksp_mem, OutputWorkspace=self.wksp_mem, Target='TOF')
        AlignAndFocusPowder(InputWorkspace=self.wksp_mem, OutputWorkspace=self.wksp_mem,
                            GroupingWorkspace='PG3_group', CalibrationWorkspace='PG3_cal', MaskWorkspace='PG3_mask',
                            Params=-.0002, CompressTolerance=0.01,
                            PrimaryFlightPath=60, SpectrumIDs='1', L2='3.18', Polar='90', Azimuthal='0',
                            ReductionProperties='__snspowderreduction_inner')
        NormaliseByCurrent(InputWorkspace=self.wksp_mem, OutputWorkspace=self.wksp_mem)
        ConvertUnits(InputWorkspace=self.wksp_mem, OutputWorkspace=self.wksp_mem, Target='dSpacing')

        # everything inside the algorithm
        AlignAndFocusPowderFromFiles(Filename=self.data_file, OutputWorkspace=self.wksp_file,
                                     GroupingWorkspace='PG3_group', CalibrationWorkspace='PG3_cal',
                                     MaskWorkspace='PG3_mask',
                                     AbsorptionWorkspace='V_abs',
                                     Params=-.0002, CompressTolerance=0.01,
                                     PrimaryFlightPath=60, SpectrumIDs='1', L2='3.18', Polar='90', Azimuthal='0',
                                     ReductionProperties='__snspowderreduction_inner')
        NormaliseByCurrent(InputWorkspace=self.wksp_file, OutputWorkspace=self.wksp_file)
        ConvertUnits(InputWorkspace=self.wksp_file, OutputWorkspace=self.wksp_file, Target='dSpacing')