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)
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)
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)
