示例#1
0
    def PyExec(self):

        import EnginXUtils

        # Get peaks in dSpacing from file
        expectedPeaksD = EnginXUtils.readInExpectedPeaks(self.getPropertyValue("ExpectedPeaksFromFile"),
                                                         self.getProperty('ExpectedPeaks').value)

        if len(expectedPeaksD) < 1:
            raise ValueError("Cannot run this algorithm without any input expected peaks")

        # Get expected peaks in TOF for the detector
        inWS = self.getProperty("InputWorkspace").value
        dimType = inWS.getXDimension().getName()
        if self.EXPECTED_DIM_TYPE != dimType:
            raise ValueError("This algorithm expects a workspace with %s X dimension, but "
                             "the X dimension of the input workspace is: '%s'" % (self.EXPECTED_DIM_TYPE, dimType))

        wsIndex = self.getProperty("WorkspaceIndex").value

        # FindPeaks will return a list of peaks sorted by the centre found. Sort the peaks as well,
        # so we can match them with fitted centres later.
        expectedPeaksToF = sorted(self._expectedPeaksInTOF(expectedPeaksD, inWS, wsIndex))

        foundPeaks = self._peaksFromFindPeaks(inWS, expectedPeaksToF, wsIndex)
        if foundPeaks.rowCount() < len(expectedPeaksToF):
            txt = "Peaks effectively found: " + str(foundPeaks)[1:-1]
            self.log().warning("Some peaks from the list of expected peaks were not found by the algorithm "
                               "FindPeaks which this algorithm uses to check that the data has the the "
                               "expected peaks. " + txt)

        peaksTableName = self.getPropertyValue("OutFittedPeaksTable")
        difc, zero = self._fitAllPeaks(inWS, wsIndex, (foundPeaks, expectedPeaksD), peaksTableName)
        self._produceOutputs(difc, zero)
示例#2
0
    def PyExec(self):

        import EnginXUtils

        focussed_ws = self._focusRun(self.getProperty('InputWorkspace').value,
                                     self.getProperty('Bank').value,
                                     self.getProperty(self.INDICES_PROP_NAME).value)

        # Get peaks in dSpacing from file
        expectedPeaksD = EnginXUtils.readInExpectedPeaks(self.getPropertyValue("ExpectedPeaksFromFile"),
                                                         self.getProperty('ExpectedPeaks').value)

        if len(expectedPeaksD) < 1:
            raise ValueError("Cannot run this algorithm without any input expected peaks")

        difc, zero = self._fitParams(focussed_ws, expectedPeaksD)

        self._produceOutputs(difc, zero)
示例#3
0
    def PyExec(self):

        # Get peaks in dSpacing from file, and check we have what we need, before doing anything
        expectedPeaksD = EnginXUtils.readInExpectedPeaks(self.getPropertyValue("ExpectedPeaksFromFile"),
                                                         self.getProperty('ExpectedPeaks').value)

        if len(expectedPeaksD) < 1:
            raise ValueError("Cannot run this algorithm without any input expected peaks")

        inWS = self.getProperty('Workspace').value
        WSIndices = EnginXUtils.getWsIndicesFromInProperties(inWS, self.getProperty('Bank').value,
                                                             self.getProperty(self.INDICES_PROP_NAME).value)

        rebinnedWS = self._prepareWsForFitting(inWS)
        posTbl = self._calculateCalibPositionsTbl(rebinnedWS, WSIndices, expectedPeaksD)

        # Produce 2 results: 'output table' and 'apply calibration' + (optional) calibration file
        self.setProperty("OutDetPosTable", posTbl)
        self._applyCalibrationTable(inWS, posTbl)
        self._outputDetPosFile(self.getPropertyValue('OutDetPosFilename'), posTbl)