def testRasterConfiguration(self):
strPathToTestConfigFile = os.path.join(self.strUnitTestDataHome,
"XSConfiguration_raster.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(self.getPluginName())
xsDataMOSFLMInput = XSDataMOSFLMInput()
xsDataMOSFLMBeam = XSDataMOSFLMBeamPosition()
xsDataMOSFLMBeam.setX(XSDataLength(1.0))
xsDataMOSFLMBeam.setY(XSDataLength(2.0))
xsDataMOSFLMInput.setBeam(xsDataMOSFLMBeam)
xsDataMOSFLMDetector = XSDataMOSFLMDetector()
xsDataMOSFLMDetector.setType(XSDataString("ADSC"))
xsDataMOSFLMInput.setDetector(xsDataMOSFLMDetector)
xsDataMOSFLMInput.setDirectory(XSDataString("/tmp"))
xsDataMOSFLMInput.setTemplate(XSDataString("testdata_1_###.img"))
xsDataMOSFLMInput.setWavelength(XSDataWavelength(1.1111))
xsDataMOSFLMInput.setDistance(XSDataLength(222.22))
edPluginMOSFLMv10 = self.createPlugin()
edPluginMOSFLMv10.setScriptExecutable("cat")
edPluginMOSFLMv10.setConfig(dictItem, _bLocal=True)
edPluginMOSFLMv10.configure()
edPluginMOSFLMv10.setXSDataInputClass(XSDataMOSFLMInput)
edPluginMOSFLMv10.setDataInput(xsDataMOSFLMInput)
edPluginMOSFLMv10.generateMOSFLMCommands()
edListCommands = edPluginMOSFLMv10.getListCommandExecution()
edListCommandsReference = [
'WAVELENGTH 1.1111', 'DISTANCE 222.22', 'BEAM 1.0 2.0',
'DETECTOR ADSC', 'DIRECTORY /tmp', 'TEMPLATE testdata_1_###.img',
'RASTER 15 15 3 3 3'
]
EDAssert.equal(edListCommandsReference, edListCommands,
"MOSFLM commands with ratser configured")
def testGenerateMOSFLMCommands(self):
xsDataMOSFLMInput = XSDataMOSFLMInput()
xsDataMOSFLMBeam = XSDataMOSFLMBeamPosition()
xsDataMOSFLMBeam.setX(XSDataLength(1.0))
xsDataMOSFLMBeam.setY(XSDataLength(2.0))
xsDataMOSFLMInput.setBeam(xsDataMOSFLMBeam)
xsDataMOSFLMDetector = XSDataMOSFLMDetector()
xsDataMOSFLMDetector.setType(XSDataString("ADSC"))
xsDataMOSFLMInput.setDetector(xsDataMOSFLMDetector)
xsDataMOSFLMInput.setDirectory(XSDataString("/tmp"))
xsDataMOSFLMInput.setTemplate(XSDataString("testdata_1_###.img"))
xsDataMOSFLMInput.setWavelength(XSDataWavelength(1.1111))
xsDataMOSFLMInput.setDistance(XSDataLength(222.22))
edPluginMOSFLMv10 = self.createPlugin()
edPluginMOSFLMv10.setScriptExecutable("cat")
edPluginMOSFLMv10.configure()
edPluginMOSFLMv10.setXSDataInputClass(XSDataMOSFLMInput)
edPluginMOSFLMv10.setDataInput(xsDataMOSFLMInput)
edPluginMOSFLMv10.generateMOSFLMCommands()
edListCommands = edPluginMOSFLMv10.getListCommandExecution()
edListCommandsReference = [
'WAVELENGTH 1.1111', 'DISTANCE 222.22', 'BEAM 1.0 2.0',
'DETECTOR ADSC', 'DIRECTORY /tmp', 'TEMPLATE testdata_1_###.img'
]
EDAssert.equal(edListCommandsReference, edListCommands,
"MOSFLM commands")
self.cleanUp(edPluginMOSFLMv10)
def generateDataMOSFLMInputGeneratePrediction(self):
"""
"""
from XSDataMOSFLMv10 import XSDataMOSFLMBeamPosition
xsDataMOSFLMBeamPosition = XSDataMOSFLMBeamPosition()
xsDataMOSFLMBeamPosition.setX(XSDataLength(102.5))
xsDataMOSFLMBeamPosition.setY(XSDataLength(104.7))
from XSDataMOSFLMv10 import XSDataMOSFLMDetector
xsDataMOSFLMDetector = XSDataMOSFLMDetector()
xsDataMOSFLMDetector.setType(XSDataString("ADSC"))
from XSDataMOSFLMv10 import XSDataMOSFLMImage
xsDataMOSFLMImage1 = XSDataMOSFLMImage()
xsDataMOSFLMImage1.setNumber(XSDataInteger(1))
xsDataMOSFLMImage1.setRotationAxisStart(XSDataAngle(0.0))
xsDataMOSFLMImage1.setRotationAxisEnd(XSDataAngle(1.0))
from XSDataMOSFLMv10 import XSDataMOSFLMInputGeneratePrediction
xsDataMOSFLMInputGeneratePrediction = XSDataMOSFLMInputGeneratePrediction(
)
xsDataMOSFLMInputGeneratePrediction.setDistance(XSDataLength(198.4))
xsDataMOSFLMInputGeneratePrediction.setWavelength(
XSDataWavelength(0.9340))
xsDataMOSFLMInputGeneratePrediction.setBeam(xsDataMOSFLMBeamPosition)
xsDataMOSFLMInputGeneratePrediction.setDetector(xsDataMOSFLMDetector)
xsDataMOSFLMInputGeneratePrediction.setDirectory(
XSDataString(self.strDataImagePath))
xsDataMOSFLMInputGeneratePrediction.setTemplate(
XSDataString("ref-testscale_1_###.img"))
xsDataMOSFLMInputGeneratePrediction.setImage(xsDataMOSFLMImage1)
return xsDataMOSFLMInputGeneratePrediction
def postProcess(self, _edObject=None):
EDPluginControl.postProcess(self)
EDVerbose.DEBUG("EDPluginBioSaxsMetadatav1_0.postProcess")
# Create some output data
xsDataResult = XSDataResultBioSaxsMetadatav1_0()
if self.strOutputImage is not None:
xsdImage = XSDataImage()
xsdImage.setPath(XSDataString(self.strOutputImage))
xsDataResult.setOutputImage(xsdImage)
if self.detector is not None:
# EDVerbose.DEBUG("Detector=%s" % self.detector)
xsDataResult.setDetector(XSDataString(self.detector))
if self.detectorDistance is not None:
# EDVerbose.DEBUG("DetectorDistance %s(%s)" % (self.detectorDistance, self.detectorDistance.__class__))
xsDataResult.setDetectorDistance(
XSDataLength(self.detectorDistance))
if self.pixelSize_1 is not None:
# EDVerbose.DEBUG("pixelSize_1 %s(%s)" % (self.pixelSize_1, self.pixelSize_1.__class__))
xsDataResult.setPixelSize_1(XSDataLength(self.pixelSize_1))
if self.pixelSize_2 is not None:
# EDVerbose.DEBUG("pixelSize_2 %s(%s)" % (self.pixelSize_2, self.pixelSize_2.__class__))
xsDataResult.setPixelSize_2(XSDataLength(self.pixelSize_2))
if self.beamCenter_1 is not None:
# EDVerbose.DEBUG("beamCenter_1 %s(%s)" % (self.beamCenter_1, self.beamCenter_1.__class__))
xsDataResult.setBeamCenter_1(XSDataDouble(self.beamCenter_1))
if self.beamCenter_2 is not None:
# EDVerbose.DEBUG("beamCenter_2 %s(%s)" % (self.beamCenter_2, self.beamCenter_2.__class__))
xsDataResult.setBeamCenter_2(XSDataDouble(self.beamCenter_2))
if self.beamStopDiode is not None:
# EDVerbose.DEBUG("beamStopDiode %s(%s)" % (self.beamStopDiode, self.beamStopDiode.__class__))
xsDataResult.setBeamStopDiode(XSDataDouble(self.beamStopDiode))
if self.wavelength is not None:
xsDataResult.setWavelength(XSDataWavelength(self.wavelength))
if self.maskFile is not None:
xsdFile = XSDataImage()
xsdFile.setPath(XSDataString(self.maskFile))
xsDataResult.setMaskFile(xsdFile)
if self.normalizationFactor is not None:
xsDataResult.setNormalizationFactor(
XSDataDouble(self.normalizationFactor))
if self.machineCurrent is not None:
xsDataResult.setMachineCurrent(XSDataDouble(self.machineCurrent))
if self.code is not None:
xsDataResult.setCode(XSDataString(self.code))
if self.comments is not None:
xsDataResult.setComments(XSDataString(self.comments))
if self.concentration is not None:
xsDataResult.setConcentration(XSDataDouble(self.concentration))
EDVerbose.DEBUG("xsDataResult=%s" % xsDataResult.marshal())
self.setDataOutput(xsDataResult)
def __init__(self, code=None, comment=None, \
maskFile=None, normalization=None, imageSize=None, detector="pilatus", detectorDistance=None, pixelSize_1=None, pixelSize_2=None, beamCenter_1=None, beamCenter_2=None, wavelength=None,):
EDLogging.__init__(self)
self.comment = comment
self.code = code
self.maskFile = maskFile
self.normalization = normalization
self.detector = detector
self.detectorDistance = detectorDistance
if (detector == "pilatus") and (pixelSize_1 is None) and (pixelSize_2
is None):
self.pixelSize_1 = 1.72e-4
self.pixelSize_2 = 1.72e-4
else:
self.pixelSize_1 = pixelSize_1
self.pixelSize_2 = pixelSize_2
if (detector == "pilatus") and (beamCenter_1 is None):
self.imageSize = 4000000
else:
self.imageSize = imageSize
self.beamCenter_1 = beamCenter_1
self.beamCenter_2 = beamCenter_2
self.wavelength = wavelength
self.timeStamp = time.strftime("-%Y%m%d%H%M%S", time.localtime())
self.dest1D = "1d" + self.timeStamp
self.dest2D = "2d" + self.timeStamp
self.destMisc = "misc" + self.timeStamp
self.sample = XSDataBioSaxsSample()
if code is not None:
self.sample.code = XSDataString(code)
if comment is not None:
self.sample.comment = XSDataString(comment)
self.experimentSetup = XSDataBioSaxsExperimentSetup()
if self.detector:
self.experimentSetup.detector = XSDataString(self.detector)
if self.detectorDistance:
self.experimentSetup.detectorDistance = XSDataLength(
self.detectorDistance)
if self.pixelSize_1:
self.experimentSetup.pixelSize_1 = XSDataLength(self.pixelSize_1)
if self.pixelSize_2:
self.experimentSetup.pixelSize_2 = XSDataLength(self.pixelSize_2)
if self.beamCenter_1:
self.experimentSetup.beamCenter_1 = XSDataDouble(self.beamCenter_1)
if self.beamCenter_2:
self.experimentSetup.beamCenter_2 = XSDataDouble(self.beamCenter_2)
if self.wavelength:
self.experimentSetup.wavelength = XSDataWavelength(self.wavelength)
def testSetDataModelInput(self):
edPluginStrategy = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(),
"XSConfiguration_ESRF.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginStrategy.getPluginName())
edPluginStrategy.setConfig(dictItem)
edPluginStrategy.configure()
xsDataStrategy = XSDataInputStrategy()
# Beam
xsExperimentalCondition = XSDataExperimentalCondition()
xsBeam = XSDataBeam()
xsBeam.setFlux(XSDataFlux(1e+12))
xsBeam.setWavelength(XSDataWavelength(2.41))
xsBeam.setSize(XSDataSize(x=XSDataLength(0.1), y=XSDataLength(0.1)))
xsBeam.setExposureTime(XSDataTime(1))
xsExperimentalCondition.setBeam(xsBeam)
# Detector and Exposure Time
xsDataDetector = XSDataDetector()
xsDataDetector.setType(XSDataString("q210-2x"))
xsExperimentalCondition.setDetector(xsDataDetector)
xsDataGoniostat = XSDataGoniostat()
xsDataGoniostat.setRotationAxis(XSDataString("phi"))
xsExperimentalCondition.setGoniostat(xsDataGoniostat)
xsDataStrategy.setExperimentalCondition(xsExperimentalCondition)
# Best Files
bestFileContentDat = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.dat"))
xsDataStrategy.setBestFileContentDat(XSDataString(bestFileContentDat))
bestFileContentPar = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.par"))
xsDataStrategy.setBestFileContentPar(XSDataString(bestFileContentPar))
bestFileContentHKL = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile1.hkl"))
xsDataStrategy.addBestFileContentHKL(XSDataString(bestFileContentHKL))
# Crystal
xsDataSampleCrystalMM = XSDataSampleCrystalMM()
xsDataStructure = XSDataStructure()
xsDataComposition = XSDataChemicalCompositionMM()
xsDataChain = XSDataChain()
xsDataChain.setType(XSDataString("protein"))
xsDataChain.setNumberOfCopies(XSDataDouble(2))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom1 = XSDataAtom()
xsDataAtom1.setSymbol(XSDataString("Se"))
xsDataAtom1.setNumberOf(XSDataDouble(4))
xsDataAtomicComposition.addAtom(xsDataAtom1)
xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
xsDataChain.setNumberOfMonomers(XSDataDouble(100))
xsDataStructure.addChain(xsDataChain)
xsDataChain2 = XSDataChain()
xsDataChain2.setType(XSDataString("rna"))
xsDataChain2.setNumberOfCopies(XSDataDouble(1))
xsDataChain2.setNumberOfMonomers(XSDataDouble(60))
xsDataStructure.addChain(xsDataChain2)
xsDataLigand = XSDataLigand()
xsDataLigand.setNumberOfCopies(XSDataDouble(2))
xsDataLigand.setNumberOfLightAtoms(XSDataDouble(42))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom2 = XSDataAtom()
xsDataAtom2.setSymbol(XSDataString("Fe"))
xsDataAtom2.setNumberOf(XSDataDouble(1))
xsDataAtomicComposition.addAtom(xsDataAtom2)
xsDataLigand.setHeavyAtoms(xsDataAtomicComposition)
xsDataStructure.addLigand(xsDataLigand)
xsDataStructure.setNumberOfCopiesInAsymmetricUnit(XSDataDouble(0.25))
xsDataSolvent = XSDataSolvent()
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom3 = XSDataAtom()
xsDataAtom3.setSymbol(XSDataString("Na"))
xsDataAtom3.setConcentration(XSDataDouble(1000))
xsDataAtom4 = XSDataAtom()
xsDataAtom4.setSymbol(XSDataString("Cl"))
xsDataAtom4.setConcentration(XSDataDouble(1000))
xsDataAtomicComposition.addAtom(xsDataAtom3)
xsDataAtomicComposition.addAtom(xsDataAtom4)
xsDataSolvent.setAtoms(xsDataAtomicComposition)
xsDataComposition.setStructure(xsDataStructure)
xsDataComposition.setSolvent(xsDataSolvent)
xsDataSampleCrystalMM.setChemicalComposition(xsDataComposition)
xsDataSampleCrystalMM.setSize(
XSDataSize(XSDataLength(0.1), XSDataLength(0.1),
XSDataLength(0.1)))
xsDataCrystal = XSDataCrystal()
xsDataCell = XSDataCell(angle_alpha=XSDataAngle(90.0),
angle_beta=XSDataAngle(90.0),
angle_gamma=XSDataAngle(90.0),
length_a=XSDataLength(78.9),
length_b=XSDataLength(95.162),
length_c=XSDataLength(104.087))
xsDataCrystal.setCell(xsDataCell)
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setITNumber(XSDataInteger(16))
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataSampleCrystalMM.setSusceptibility(XSDataDouble(1.5))
xsDataStrategy.setCrystalRefined(xsDataCrystal)
xsDataStrategy.setSample(xsDataSampleCrystalMM)
xsDataStrategy.exportToFile(self.strObtainedInputFile)
pyStrExpectedInput = self.readAndParseFile(self.strReferenceInputFile)
pyStrObtainedInput = self.readAndParseFile(self.strObtainedInputFile)
xsDataInputExpected = XSDataInputStrategy.parseString(
pyStrExpectedInput)
xsDataInputObtained = XSDataInputStrategy.parseString(
pyStrObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(),
xsDataInputObtained.marshal())
def postProcess(self, _edObject=None):
"""
complex type XSDataBioSaxsExperimentSetup extends XSData{
detector : XSDataString optional
detectorDistance : XSDataLength optional
pixelSize_1 : XSDataLength optional
pixelSize_2 : XSDataLength optional
beamCenter_1 : XSDataDouble optional
beamCenter_2 : XSDataDouble optional
beamStopDiode : XSDataDouble optional
wavelength : XSDataWavelength optional
machineCurrent : XSDataDouble optional
maskFile : XSDataImage optional
normalizationFactor : XSDataDouble optional
storageTemperature: XSDataDouble optional
exposureTemperature: XSDataDouble optional
exposureTime: XSDataTime optional
frameNumber: XSDataInteger optional
frameMax: XSDataInteger optional
}
complex type XSDataBioSaxsSample extends XSData {
concentration : XSDataDouble optional
comments : XSDataString optional
code : XSDataString optional
temperature: XSDataDouble optional
"""
EDPluginExec.postProcess(self)
EDVerbose.DEBUG("EDPluginBioSaxsMetadatav1_1.postProcess")
# Create some output data
xsDataResult = XSDataResultBioSaxsMetadatav1_0()
xsdSample = XSDataBioSaxsSample()
xsdExperiment = XSDataBioSaxsExperimentSetup()
if self.strOutputImage is not None:
xsdImage = XSDataImage()
xsdImage.setPath(XSDataString(self.strOutputImage))
xsDataResult.setOutputImage(xsdImage)
if self.detector is not None:
xsdExperiment.detector = xsDataResult.detector = XSDataString(
self.detector)
if self.detectorDistance is not None:
xsdExperiment.detectorDistance = xsDataResult.detectorDistance = XSDataLength(
self.detectorDistance)
if self.pixelSize_1 is not None:
xsDataResult.pixelSize_1 = XSDataLength(self.pixelSize_1)
xsdExperiment.pixelSize_1 = xsDataResult.pixelSize_1
if self.pixelSize_2 is not None:
xsDataResult.pixelSize_2 = XSDataLength(self.pixelSize_2)
xsdExperiment.pixelSize_2 = xsDataResult.pixelSize_2
if self.beamCenter_1 is not None:
xsDataResult.beamCenter_1 = XSDataDouble(self.beamCenter_1)
xsdExperiment.beamCenter_1 = xsDataResult.beamCenter_1
if self.beamCenter_2 is not None:
xsDataResult.beamCenter_2 = XSDataDouble(self.beamCenter_2)
xsdExperiment.beamCenter_2 = xsDataResult.beamCenter_2
if self.beamStopDiode is not None:
xsdExperiment.beamStopDiode = xsDataResult.beamStopDiode = XSDataDouble(
self.beamStopDiode)
if self.wavelength is not None:
xsdExperiment.wavelength = xsDataResult.wavelength = XSDataWavelength(
self.wavelength)
if self.maskFile is not None:
xsdFile = XSDataImage()
xsdFile.setPath(XSDataString(self.maskFile))
xsdExperiment.maskFile = xsDataResult.maskFile = xsdFile
if self.normalizationFactor is not None:
xsdExperiment.normalizationFactor = xsDataResult.normalizationFactor = XSDataDouble(
self.normalizationFactor)
if self.machineCurrent is not None:
xsdExperiment.machineCurrent = xsDataResult.machineCurrent = XSDataDouble(
self.machineCurrent)
if self.storageTemperature is not None:
xsdExperiment.storageTemperature = xsDataResult.storageTemperature = XSDataDouble(
self.storageTemperature)
if self.exposureTemperature is not None:
xsdExperiment.exposureTemperature = xsDataResult.exposureTemperature = XSDataDouble(
self.exposureTemperature)
if self.exposureTime is not None:
xsdExperiment.exposureTime = xsDataResult.exposureTime = XSDataTime(
self.exposureTime)
if self.frameNumber is not None:
xsdExperiment.frameNumber = xsDataResult.frameNumber = XSDataInteger(
self.frameNumber)
if self.frameMax is not None:
xsdExperiment.frameMax = xsDataResult.frameMax = XSDataInteger(
self.frameMax)
if self.timeOfFrame is not None:
xsdExperiment.timeOfFrame = xsDataResult.timeOfFrame = XSDataTime(
self.timeOfFrame)
if self.code is not None:
xsdSample.code = xsDataResult.code = XSDataString(self.code)
if self.comments is not None:
xsdSample.comments = xsDataResult.comments = XSDataString(
self.comments)
if self.concentration is not None:
xsdSample.concentration = xsDataResult.concentration = XSDataDouble(
self.concentration)
xsDataResult.sample = xsdSample
xsDataResult.experimentSetup = xsdExperiment
self.setDataOutput(xsDataResult)
def process(self, _edObject=None):
EDPluginExec.process(self)
self.DEBUG("EDPluginExecReadImageHeaderEiger4Mv10.process")
xsDataInputReadImageHeader = self.getDataInput()
xsDataFile = xsDataInputReadImageHeader.getImage()
strPath = xsDataFile.getPath().getValue()
dictEiger4MHeader = self.readHeaderEiger4M(strPath)
if (dictEiger4MHeader is None):
strErrorMessage = "EDPluginExecReadImageHeaderEiger4Mv10.process : Cannot read header : %s" % strPath
self.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
else:
xsDataExperimentalCondition = XSDataExperimentalCondition()
xsDataDetector = XSDataDetector()
iNoPixelsX = 2070
iNoPixelsY = 2167
xsDataDetector.setNumberPixelX(XSDataInteger(iNoPixelsX))
xsDataDetector.setNumberPixelY(XSDataInteger(iNoPixelsY))
# Pixel size
listPixelSizeXY = dictEiger4MHeader[ "Pixel_size" ].split(" ")
fPixelSizeX = float(listPixelSizeXY[0]) * 1000
xsDataDetector.setPixelSizeX(XSDataLength(fPixelSizeX))
fPixelSizeY = float(listPixelSizeXY[3]) * 1000
xsDataDetector.setPixelSizeY(XSDataLength(fPixelSizeY))
# Beam position
listBeamPosition = dictEiger4MHeader["Beam_xy"].replace("(", " ").replace(")", " ").replace(",", " ").split()
fBeamPositionX = float(listBeamPosition[1]) * fPixelSizeX
fBeamPositionY = float(listBeamPosition[0]) * fPixelSizeY
xsDataDetector.setBeamPositionX(XSDataLength(fBeamPositionX))
xsDataDetector.setBeamPositionY(XSDataLength(fBeamPositionY))
fDistance = float(dictEiger4MHeader[ "Detector_distance" ].split(" ")[0]) * 1000
xsDataDetector.setDistance(XSDataLength(fDistance))
# xsDataDetector.setNumberBytesInHeader(XSDataInteger(float(dictEiger4MHeader[ "header_size" ])))
xsDataDetector.setSerialNumber(XSDataString(dictEiger4MHeader[ "Detector:" ]))
# #xsDataDetector.setBin( XSDataString( dictEiger4MHeader[ "BIN" ] ) ) )
# #xsDataDetector.setDataType( XSDataString( dictEiger4MHeader[ "TYPE" ] ) ) )
# #xsDataDetector.setByteOrder( XSDataString( dictEiger4MHeader[ "BYTE_ORDER" ] ) ) )
# xsDataDetector.setImageSaturation(XSDataInteger(int(dictEiger4MHeader[ "saturation_level" ])))
xsDataDetector.setName(XSDataString("EIGER 4M"))
xsDataDetector.setType(XSDataString("eiger4m"))
xsDataExperimentalCondition.setDetector(xsDataDetector)
# Beam object
xsDataBeam = XSDataBeam()
xsDataBeam.setWavelength(XSDataWavelength(float(dictEiger4MHeader[ "Wavelength" ].split(" ")[0])))
xsDataBeam.setExposureTime(XSDataTime(float(dictEiger4MHeader[ "Exposure_time" ].split(" ")[0])))
xsDataExperimentalCondition.setBeam(xsDataBeam)
# Goniostat object
xsDataGoniostat = XSDataGoniostat()
fRotationAxisStart = float(dictEiger4MHeader[ "Start_angle" ].split(" ")[0])
fOscillationWidth = float(dictEiger4MHeader[ "Angle_increment" ].split(" ")[0])
xsDataGoniostat.setRotationAxisStart(XSDataAngle(fRotationAxisStart))
xsDataGoniostat.setRotationAxisEnd(XSDataAngle(fRotationAxisStart + fOscillationWidth))
xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)
#
# Create the image object
xsDataImage = XSDataImage()
xsDataImage.setPath(XSDataString(strPath))
if "DateTime" in dictEiger4MHeader:
strTimeStamp = dictEiger4MHeader[ "DateTime" ]
xsDataImage.setDate(XSDataString(strTimeStamp))
iImageNumber = EDUtilsImage.getImageNumber(strPath)
xsDataImage.setNumber(XSDataInteger(iImageNumber))
xsDataSubWedge = XSDataSubWedge()
xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
xsDataSubWedge.addImage(xsDataImage)
self.__xsDataResultReadImageHeader = XSDataResultReadImageHeader()
self.__xsDataResultReadImageHeader.setSubWedge(xsDataSubWedge)
def setup(self, _listInput=[], _mode="offline"):
"""Configure the various options"""
bOK = False
if _listInput == []:
_listInput = [os.getcwd()]
while not bOK:
strtmp = raw_input(
"What are the input directories (mandatory, space separated) %s: "
% _listInput).strip()
if len(strtmp) > 0:
bAllExists = True
lstTemp = shlex.split(strtmp)
for oneDir in shlex.split(strtmp):
if not os.path.exists(oneDir):
EDVerbose.screen("No such file or directory: %s" %
oneDir)
bAllExists = False
if bAllExists is True:
self.listInput = lstTemp
bOK = True
else:
self.listInput = _listInput
bOK = True
bOK = False
while not bOK:
strtmp = raw_input(
"What is operation mode [offline|online|all] (mandatory: %s): "
% _mode).strip().lower()
if len(strtmp) > 0:
bOK = True
if strtmp == "offline":
self.bNewerOnly = False
self.strMode = "OffLine"
elif strtmp == "online":
self.bNewerOnly = True
self.strMode = "dirwatch"
elif strtmp == "all":
self.bNewerOnly = False
self.strMode = "dirwatch"
else:
bOK = False
bOK = False
while not bOK:
strtmp = raw_input(
"What is the destination directory (mandatory): ").strip()
if os.path.isdir(strtmp):
self.destinationDirectory = XSDataFile()
self.destinationDirectory.setPath(
XSDataString(os.path.abspath(strtmp)))
bOK = True
bOK = False
while not bOK:
strtmp = raw_input(
"What is the sinogram filename prefix (mandatory): ").strip()
if strtmp != "":
self.sinogramFileNamePrefix = XSDataString(strtmp)
bOK = True
bOK = False
while not bOK:
strtmp = raw_input(
"What is the powder diffraction subdirectory (mandatory): "
).strip()
if strtmp != "":
self.powderDiffractionSubdirectory = XSDataString(strtmp)
bOK = True
strtmp = raw_input(
"What is the powder diffraction output format (CHI or CIF, if any ): "
).strip().lower()
if strtmp.find("cif") >= 0:
self.powderDiffractionFormat = XSDataString("cif")
elif strtmp.find("chi") >= 0:
self.powderDiffractionFormat = XSDataString("chi")
strtmp = raw_input("Process all files ending with: ").strip()
if len(strtmp) > 0:
for oneExt in shlex.split(strtmp):
self.listExtensions.append(oneExt)
strtmp = raw_input("Exclude all files starting with: ").strip()
if len(strtmp) > 0:
for oneExt in shlex.split(strtmp):
self.listExcludedPrefix.append(oneExt)
strtmp = raw_input(
"Do you want to over-ride metadata from the headers [y|N]: "
).strip().lower()
if len(strtmp) > 0 and strtmp[0] == "y":
strtmp = raw_input("What is the flat field image: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
flatFieldImage = XSDataFile()
flatFieldImage.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_image_flat_field(
flatFieldImage)
strtmp = raw_input("What is the dark current image: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
darkCurrentImage = XSDataFile()
darkCurrentImage.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_image_dark_current(
darkCurrentImage)
strtmp = raw_input("What is the mask file: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
maskFile = XSDataFile()
maskFile.setPath(XSDataString(strtmp))
self.forceImage.set_file_correction_image_mask(maskFile)
strtmp = raw_input("What is the spline file: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
splineFile = XSDataFile()
splineFile.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_spline_spatial_distortion(
splineFile)
strtmp = raw_input(
"What is the wavelength (like 0.7 A): ").replace(
"(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
try:
f = float(w[0])
except ValueError:
print("unable to understand what you said, skipping")
else:
wavelength = XSDataWavelength()
wavelength.setValue(f)
if len(w) == 2:
wavelength.setUnit(XSDataString(w[1]))
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_diffrn_radiation_wavelength(
wavelength)
strtmp = raw_input(
"What is the distance between the sample and the detector along the beam: "
).replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
try:
f = float(w[0])
except ValueError:
print("unable to understand what you said, skipping")
else:
distance = XSDataLength()
distance.setValue(f)
if len(w) == 2:
distance.setUnit(XSDataString(w[1]))
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_pd_instr_dist_spec_detc(distance)
strtmp = raw_input(
"What is the pixel size (like 52.8 um 53.2 um): ").replace(
"(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
xsdata1 = None
xsdata2 = None
if len(w) == 4:
try:
f1 = float(w[0])
f2 = float(w[2])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata1.setUnit(XSDataString(w[1]))
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
xsdata2.setUnit(XSDataString(w[3]))
elif len(w) == 2:
try:
f1 = float(w[0])
f2 = float(w[1])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
else:
print("unable to understand what you said, skipping")
if (xsdata1 is not None) and (xsdata2 is not None):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_array_element_size_1(xsdata1)
self.forceImage.set_array_element_size_2(xsdata2)
strtmp = raw_input(
"What is the beam center in distance, not pixels (like 53.5 mm 48.2 mm): "
).strip().replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
xsdata1 = None
xsdata2 = None
if len(w) == 4:
try:
f1 = float(w[0])
f2 = float(w[2])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata1.setUnit(XSDataString(w[1]))
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
xsdata2.setUnit(XSDataString(w[3]))
elif len(w) == 2:
try:
f1 = float(w[0])
f2 = float(w[1])
except ValueError, IndexError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
else:
print("unable to understand what you said, skipping")
if (xsdata1 is not None) and (xsdata2 is not None):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_diffrn_detector_element_center_1(
xsdata1)
self.forceImage.set_diffrn_detector_element_center_2(
xsdata2)
strtmp = raw_input("What is the detector tilt angle: ").strip()
tiltAngle = None
try:
tiltAngle = XSDataAngle(float(strtmp))
except ValueError:
print("unable to understand what you said, skipping")
else:
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_pd_instr_special_details_tilt_angle(
tiltAngle)
strtmp = raw_input("What is the tilt plan rotation: ").strip()
tiltRotation = None
try:
tiltRotation = XSDataAngle(float(strtmp))
except ValueError:
print("unable to understand what you said, skipping")
else:
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_pd_instr_special_details_tilt_rotation(
tiltRotation)
strtmp = raw_input(
"What is the number of fast motor steps (you will have n+1 points): "
).strip()
try:
self.fastMotorSteps = int(strtmp)
except ValueError:
fastMotorSteps = None
else:
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_tomo_spec_displ_x_max(
XSDataLength(self.fastMotorSteps))
self.forceInstrument.set_tomo_spec_displ_x_min(XSDataLength(0))
self.forceInstrument.set_tomo_spec_displ_x_inc(XSDataLength(1))
self.forceInstrument.set_tomo_scan_type(XSDataString("flat"))
strtmp = raw_input(
"What is the number of slow motor steps (you will have n+1 points): "
).strip()
try:
self.slowMotorSteps = int(strtmp)
except ValueError:
self.slowMotorSteps = None
else:
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_tomo_scan_ampl(
XSDataLength(self.slowMotorSteps))
self.forceInstrument.set_tomo_spec_displ_rotation_inc(
XSDataLength(1))
self.forceInstrument.set_tomo_scan_type(XSDataString("flat"))
strtmp = raw_input(
"What is the index offset of your images: ").strip()
try:
self.indexOffset = int(strtmp)
except ValueError:
print("unable to understand what you said, skipping")
def testSetDataModelInput(self):
# Crystal
from XSDataRaddosev10 import XSDataRaddoseInput
xsDataRaddoseInput = XSDataRaddoseInput()
from XSDataCommon import XSDataString
from XSDataCommon import XSDataDouble
from XSDataCommon import XSDataAngle
from XSDataCommon import XSDataLength
from XSDataCommon import XSDataSize
from XSDataCommon import XSDataInteger
from XSDataRaddosev10 import XSDataCell
from XSDataRaddosev10 import XSDataAtom
from XSDataRaddosev10 import XSDataAtomicComposition
xsDataAtomSulfur = XSDataAtom()
xsDataAtomSulfur.setNumberOf(XSDataDouble(4))
xsDataAtomSulfur.setSymbol(XSDataString("S"))
xsDataAtomSelenium = XSDataAtom()
xsDataAtomSelenium.setNumberOf(XSDataDouble(4))
xsDataAtomSelenium.setSymbol(XSDataString("Se"))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtomicComposition.addAtom(xsDataAtomSulfur)
xsDataAtomicComposition.addAtom(xsDataAtomSelenium)
xsDataRaddoseInput.setCrystalPATM(xsDataAtomicComposition)
xsDataRaddoseInput.setCrystalNRES(XSDataInteger(295))
xsDataRaddoseInput.setCrystalNMON(XSDataInteger(8))
xsDataCell = XSDataCell(angle_alpha=XSDataAngle(90.0),
angle_beta=XSDataAngle(90.0),
angle_gamma=XSDataAngle(90.0),
length_a=XSDataLength(78.9),
length_b=XSDataLength(95.162),
length_c=XSDataLength(104.087))
xsDataSizeCrystal = XSDataSize(XSDataLength(0.1), XSDataLength(0.1),
XSDataLength(0.1))
xsDataRaddoseInput.setCrystalCell(xsDataCell)
xsDataRaddoseInput.setCrystalSize(xsDataSizeCrystal)
# Beam
from XSDataCommon import XSDataFlux
from XSDataCommon import XSDataWavelength
from XSDataCommon import XSDataTime
xsDataSize = XSDataSize(x=XSDataLength(0.1), y=XSDataLength(0.1))
xsDataRaddoseInput.setBeamSize(xsDataSize)
xsDataRaddoseInput.setBeamFlux(XSDataFlux(1e+12))
xsDataRaddoseInput.setBeamWavelength(XSDataWavelength(2.41))
xsDataRaddoseInput.setBeamExposureTime(XSDataTime(1))
xsDataRaddoseInput.setNumberOfImages(XSDataInteger(1))
xsDataRaddoseInput.exportToFile(self.strObtainedInputFile)
strExpectedInput = self.readAndParseFile(self.strReferenceInputFile)
strObtainedInput = self.readAndParseFile(self.strObtainedInputFile)
xsDataRaddoseInputExpected = XSDataRaddoseInput.parseString(
strExpectedInput)
xsDataRaddoseInputObtained = XSDataRaddoseInput.parseString(
strObtainedInput)
EDAssert.equal(xsDataRaddoseInputExpected.marshal(),
xsDataRaddoseInputObtained.marshal())
def setup(self, _listInput=[], _mode="offline"):
"""Configure the various options"""
bOK = False
if _listInput == []:
_listInput = [os.getcwd()]
while not bOK:
strtmp = raw_input("What are the input directories (mandatory, space separated) %s: " % _listInput).strip()
if len(strtmp) > 0:
bAllExists = True
lstTemp = shlex.split(strtmp)
for oneDir in shlex.split(strtmp):
if not os.path.exists(oneDir):
EDVerbose.screen("No such file or directory: %s" % oneDir)
bAllExists = False
if bAllExists is True:
self.listInput = lstTemp
bOK = True
else:
self.listInput = _listInput
bOK = True
bOK = False
while not bOK:
strtmp = raw_input("What is operation mode [offline|online|all] (mandatory: %s): " % _mode).strip().lower()
if len(strtmp) > 0:
bOK = True
if strtmp == "offline":
self.bNewerOnly = False
self.strMode = "OffLine"
elif strtmp == "online":
self.bNewerOnly = True
self.strMode = "dirwatch"
elif strtmp == "all":
self.bNewerOnly = False
self.strMode = "dirwatch"
else:
bOK = False
bOK = False
while not bOK:
strtmp = raw_input("What is the destination directory (mandatory): ").strip()
if os.path.isdir(strtmp):
self.destinationDirectory = XSDataFile()
self.destinationDirectory.setPath(XSDataString(os.path.abspath(strtmp)))
bOK = True
bOK = False
while not bOK:
strtmp = raw_input("What is the sinogram filename prefix (mandatory): ").strip()
if strtmp != "":
self.sinogramFileNamePrefix = XSDataString(strtmp)
bOK = True
bOK = False
while not bOK:
strtmp = raw_input("What is the powder diffraction subdirectory (mandatory): ").strip()
if strtmp != "":
self.powderDiffractionSubdirectory = XSDataString(strtmp)
bOK = True
strtmp = raw_input("What is the powder diffraction output format (CHI or CIF, if any ): ").strip().lower()
if strtmp.find("cif") >= 0:
self.powderDiffractionFormat = XSDataString("cif")
elif strtmp.find("chi") >= 0:
self.powderDiffractionFormat = XSDataString("chi")
strtmp = raw_input("Process all files ending with: ").strip()
if len(strtmp) > 0:
for oneExt in shlex.split(strtmp):
self.listExtensions.append(oneExt)
strtmp = raw_input("Exclude all files starting with: ").strip()
if len(strtmp) > 0:
for oneExt in shlex.split(strtmp):
self.listExcludedPrefix.append(oneExt)
strtmp = raw_input("Do you want to over-ride metadata from the headers [y|N]: ").strip().lower()
if len(strtmp) > 0 and strtmp[0] == "y":
strtmp = raw_input("What is the flat field image: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
flatFieldImage = XSDataFile()
flatFieldImage.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_image_flat_field(flatFieldImage)
strtmp = raw_input("What is the dark current image: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
darkCurrentImage = XSDataFile()
darkCurrentImage.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_image_dark_current(darkCurrentImage)
strtmp = raw_input("What is the mask file: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
maskFile = XSDataFile()
maskFile.setPath(XSDataString(strtmp))
self.forceImage.set_file_correction_image_mask(maskFile)
strtmp = raw_input("What is the spline file: ").strip()
if os.path.isfile(strtmp):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
splineFile = XSDataFile()
splineFile.setPath(XSDataString(os.path.abspath(strtmp)))
self.forceImage.set_file_correction_spline_spatial_distortion(splineFile)
strtmp = raw_input("What is the wavelength (like 0.7 A): ").replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
try:
f = float(w[0])
except ValueError:
print("unable to understand what you said, skipping")
else:
wavelength = XSDataWavelength()
wavelength.setValue(f)
if len(w) == 2:
wavelength.setUnit(XSDataString(w[1]))
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_diffrn_radiation_wavelength(wavelength)
strtmp = raw_input("What is the distance between the sample and the detector along the beam: ").replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
try:
f = float(w[0])
except ValueError:
print("unable to understand what you said, skipping")
else:
distance = XSDataLength()
distance.setValue(f)
if len(w) == 2:
distance.setUnit(XSDataString(w[1]))
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_pd_instr_dist_spec_detc(distance)
strtmp = raw_input("What is the pixel size (like 52.8 um 53.2 um): ").replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
xsdata1 = None
xsdata2 = None
if len(w) == 4:
try:
f1 = float(w[0])
f2 = float(w[2])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata1.setUnit(XSDataString(w[1]))
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
xsdata2.setUnit(XSDataString(w[3]))
elif len(w) == 2:
try:
f1 = float(w[0])
f2 = float(w[1])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
else:
print("unable to understand what you said, skipping")
if (xsdata1 is not None) and (xsdata2 is not None):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_array_element_size_1(xsdata1)
self.forceImage.set_array_element_size_2(xsdata2)
strtmp = raw_input("What is the beam center in distance, not pixels (like 53.5 mm 48.2 mm): ").strip().replace("(", "").replace(")", "").strip()
w = strtmp.split()
if len(w) > 0:
xsdata1 = None
xsdata2 = None
if len(w) == 4:
try:
f1 = float(w[0])
f2 = float(w[2])
except ValueError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata1.setUnit(XSDataString(w[1]))
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
xsdata2.setUnit(XSDataString(w[3]))
elif len(w) == 2:
try:
f1 = float(w[0])
f2 = float(w[1])
except ValueError, IndexError:
print "Unable to convert to float !!! skipping"
else:
xsdata1 = XSDataLength()
xsdata1.setValue(f1)
xsdata2 = XSDataLength()
xsdata2.setValue(f2)
else:
print("unable to understand what you said, skipping")
if (xsdata1 is not None) and (xsdata2 is not None):
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_diffrn_detector_element_center_1(xsdata1)
self.forceImage.set_diffrn_detector_element_center_2(xsdata2)
strtmp = raw_input("What is the detector tilt angle: ").strip()
tiltAngle = None
try:
tiltAngle = XSDataAngle(float(strtmp))
except ValueError:
print("unable to understand what you said, skipping")
else:
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_pd_instr_special_details_tilt_angle(tiltAngle)
strtmp = raw_input("What is the tilt plan rotation: ").strip()
tiltRotation = None
try:
tiltRotation = XSDataAngle(float(strtmp))
except ValueError:
print("unable to understand what you said, skipping")
else:
if self.forceImage is None:
self.forceImage = XSDataDiffractionCTImage()
self.forceImage.set_pd_instr_special_details_tilt_rotation(tiltRotation)
strtmp = raw_input("What is the number of fast motor steps (you will have n+1 points): ").strip()
try:
self.fastMotorSteps = int(strtmp)
except ValueError:
fastMotorSteps = None
else:
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_tomo_spec_displ_x_max(XSDataLength(self.fastMotorSteps))
self.forceInstrument.set_tomo_spec_displ_x_min(XSDataLength(0))
self.forceInstrument.set_tomo_spec_displ_x_inc(XSDataLength(1))
self.forceInstrument.set_tomo_scan_type(XSDataString("flat"))
strtmp = raw_input("What is the number of slow motor steps (you will have n+1 points): ").strip()
try:
self.slowMotorSteps = int(strtmp)
except ValueError:
self.slowMotorSteps = None
else:
if self.forceInstrument is None:
self.forceInstrument = XSDataDiffractionCTInstrument()
self.forceInstrument.set_tomo_scan_ampl(XSDataLength(self.slowMotorSteps))
self.forceInstrument.set_tomo_spec_displ_rotation_inc(XSDataLength(1))
self.forceInstrument.set_tomo_scan_type(XSDataString("flat"))
strtmp = raw_input("What is the index offset of your images: ").strip()
try:
self.indexOffset = int(strtmp)
except ValueError:
print("unable to understand what you said, skipping")
def toXml(self, filename):
"""Here we create the XML string to be passed to the EDNA plugin from the input filename
This can / should be modified by the final user
@param filename: full path of the input file
@type filename: python string representing the path
@rtype: XML string
@return: python string
"""
# Is the file to process?
dirname, basename = os.path.split(filename)
rootDir, dirname = os.path.split(dirname)
basename, ext = os.path.splitext(basename)
if not ((dirname.lower() == "raw") and (ext.lower() == ".edf")):
self.DEBUG("Not processing %s" % filename)
return
existing2DImage = os .path.join(rootDir, "2d", basename + ".edf")
if os.path.isfile(existing2DImage):
# print existing2DImage
title = None
for line in open(existing2DImage):
if len(line) > 512:
break
else:
line = line.strip()
if line.startswith("title"):
title = line.split("=", 1)[-1]
if line.startswith("Center_1")and (self.beamCenter_1 is None):
try:
self.experimentSetup.beamCenter_1 = XSDataDouble(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
elif line.startswith("Center_2")and (self.beamCenter_2 is None):
try:
self.experimentSetup.beamCenter_2 = XSDataDouble(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
elif line.startswith("PSize_1")and (self.pixelSize_1 is None):
try:
self.experimentSetup.pixelSize_1 = XSDataLength(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
elif line.startswith("PSize_2") and (self.pixelSize_2 is None):
try:
self.experimentSetup.pixelSize_2 = XSDataLength(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
elif line.startswith("SampleDistance") and (self.detectorDistance is None) :
try:
self.experimentSetup.detectorDistance = XSDataLength(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
elif line.startswith("WaveLength")and (self.wavelength is None):
try:
self.experimentSetup.wavelength = XSDataWavelength(float(line.split("=", 1)[-1].split()[0]))
except Exception:
self.ERROR("Reading from header: not a float " + line)
if title:
for block in title.split(","):
if "=" in block:
key, value = block.split("=", 1)
elif ":" in block:
key, value = block.split(":", 1)
else:
key = None
if key:
key = key.strip()
value = value.strip()
# print key, value
if key == "DiodeCurr":
try:
self.experimentSetup.beamStopDiode = XSDataDouble(float(value))
except Exception:
self.ERROR("Unable to convert %s to float" % block)
elif key == "MachCurr":
try:
self.experimentSetup.machineCurrent = XSDataDouble(float(value.split()[0]))
except Exception:
self.ERROR("Unable to convert %s to float" % block)
elif key == "Concentration":
try:
self.sample.concentration = XSDataDouble(float(value.split()[0]))
except Exception:
self.ERROR("Unable to convert %s to float" % block)
elif (key == "Comments") and (self.comment is None):
self.sample.comments = XSDataString(value.strip())
elif (key == "Code") and (self.code is None) :
self.sample.code = XSDataString(value.strip())
elif (key == "Mask") and (self.maskFile is None):
self.experimentSetup.maskFile = XSDataImage(XSDataString(value.strip()))
elif (key == "Normalisation") and (self.normalization is None):
try:
self.experimentSetup.normalizationFactor = XSDataDouble(float(value.split()[0]))
except Exception:
self.ERROR("Unable to convert %s to float" % block)
xsd = XSDataInputBioSaxsProcessOneFilev1_0()
xsd.rawImage = XSDataImage(XSDataString(filename))
xsd.rawImageSize = XSDataInteger(self.imageSize)
xsd.experimentSetup = self.experimentSetup
xsd.sample = self.sample
dir1d = os.path.join(rootDir, self.dest1D)
dir2d = os.path.join(rootDir, self.dest2D)
dirMisc = os.path.join(rootDir, self.destMisc)
if not os.path.exists(dir1d):
os.makedirs(dir1d)
if not os.path.exists(dir2d):
os.makedirs(dir2d)
if not os.path.exists(dirMisc):
os.makedirs(dirMisc)
xsd.normalizedImage = XSDataImage(XSDataString(os.path.join(dir2d, basename + ".edf")))
xsd.integratedImage = XSDataImage(XSDataString(os.path.join(dirMisc, basename + ".ang")))
xsd.integratedCurve = XSDataFile(XSDataString(os.path.join(dir1d, basename + ".dat")))
# print xsd.marshal()
return xsd.marshal()
def generateXSDataInputXDS(_xsDataCollection):
xsDataCollection = _xsDataCollection
xsDataExperimentalCondition = _xsDataCollection.getSubWedge(
)[0].getExperimentalCondition()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
xsDataInputXDS = XSDataInputXDSGenerateBackgroundImage()
xsDataBeam = xsDataExperimentalCondition.getBeam()
xsDataDetector = xsDataExperimentalCondition.getDetector()
xsDataGoniostat = xsDataExperimentalCondition.getGoniostat()
dWavelength = xsDataBeam.getWavelength().getValue()
dDistance = xsDataDetector.getDistance().getValue()
dBeamPositionX = xsDataDetector.getBeamPositionX().getValue()
dBeamPositionY = xsDataDetector.getBeamPositionY().getValue()
# Start with the detector
xsDataXDSDetector = EDHandlerXSDataXDSv1_0.getXSDataXDSDetector(
xsDataDetector)
xsDataInputXDS.setDetector(xsDataXDSDetector)
# Then the beam
xsDataXDSBeam = XSDataXDSBeam()
xsDataVectorDoubleIncidentBeam = XSDataVectorDouble()
xsDataVectorDoubleIncidentBeam.setV1(0.0)
xsDataVectorDoubleIncidentBeam.setV2(0.0)
xsDataVectorDoubleIncidentBeam.setV3(1.0)
xsDataXDSBeam.setIncident_beam_direction(
xsDataVectorDoubleIncidentBeam)
xsDataVectorDoublePolarizationPlaneNormal = XSDataVectorDouble()
xsDataVectorDoublePolarizationPlaneNormal.setV1(0.0)
xsDataVectorDoublePolarizationPlaneNormal.setV2(1.0)
xsDataVectorDoublePolarizationPlaneNormal.setV3(0.0)
xsDataXDSBeam.setPolarization_plane_normal(
xsDataVectorDoublePolarizationPlaneNormal)
xsDataXDSBeam.setX_ray_wavelength(XSDataWavelength(dWavelength))
xsDataInputXDS.setBeam(xsDataXDSBeam)
# Then the goniostat
xsDataXDSGoniostat = XSDataXDSGoniostat()
xsDataVectorDoubleRotationAxis = XSDataVectorDouble()
xsDataVectorDoubleRotationAxis.setV1(1.0)
xsDataVectorDoubleRotationAxis.setV2(0.0)
xsDataVectorDoubleRotationAxis.setV3(0.0)
xsDataXDSGoniostat.setRotation_axis(xsDataVectorDoubleRotationAxis)
xsDataXDSGoniostat.setOscillation_range(
xsDataGoniostat.getOscillationWidth())
xsDataXDSGoniostat.setStarting_angle(
xsDataGoniostat.getRotationAxisStart())
xsDataInputXDS.setGoniostat(xsDataXDSGoniostat)
# # Then the Crystal
#
# xsDataXDSCrystal = XSDataXDSCrystal()
#
# xsDataXDSCrystal.setFriedels_law(XSDataString("FALSE"))
#
## if ( xsDataCrystal is not None ):
## xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
## if ( xsDataSpaceGroup is not None ):
## xsDataStringName = xsDataSpaceGroup.getName()
## if ( xsDataStringName is not None ):
## xsDataInputXDS.setSymmetry( XSDataString( xsDataStringName.getValue() ) )
# xsDataXDSCrystal.setSpace_group_number(XSDataInteger(0))
#
# xsDataXDSCrystal.setStrong_pixel(XSDataInteger(8))
#
# xsDataCell = XSDataCell()
# xsDataCell.setLength_a(XSDataLength(0.0))
# xsDataCell.setLength_b(XSDataLength(0.0))
# xsDataCell.setLength_c(XSDataLength(0.0))
# xsDataCell.setAngle_alpha(XSDataAngle(0.0))
# xsDataCell.setAngle_beta(XSDataAngle(0.0))
# xsDataCell.setAngle_gamma(XSDataAngle(0.0))
# xsDataXDSCrystal.setUnit_cell_constants(xsDataCell)
#
# xsDataInputXDS.setCrystal(xsDataXDSCrystal)
# Finaly the images
xsDataXDSImage = XSDataXDSImage()
xsDataSubWedgeFirst = xsDataSubWedgeList[0]
xsDataImageFirst = xsDataSubWedgeFirst.getImage()[0]
pyStrPath = xsDataImageFirst.getPath().getValue()
pyStrFileName = EDUtilsFile.getBaseName(pyStrPath)
pyStrDirectory = EDUtilsPath.getFolderName(pyStrPath)
pyStrPrefix = EDUtilsImage.getPrefix(pyStrFileName)
pyStrSuffix = EDUtilsImage.getSuffix(pyStrFileName)
pyStrXDSTemplate = "%s_xdslink_?????.%s" % (pyStrPrefix, pyStrSuffix)
xsDataXDSImage.setName_template_of_data_frames(
XSDataString(pyStrXDSTemplate))
iXDSLowestImageNumberGlobal = 1
xsDataXDSImage.setStarting_frame(
XSDataInteger(iXDSLowestImageNumberGlobal))
# First we have to find the smallest goniostat rotation axis start:
fGonioStatOscillationStartMin = None
for xsDataSubWedge in xsDataSubWedgeList:
xsDataGoniostat = xsDataSubWedge.getExperimentalCondition(
).getGoniostat()
fGonioStatOscillationStart = xsDataGoniostat.getRotationAxisStart(
).getValue()
if (fGonioStatOscillationStartMin is None):
fGonioStatOscillationStartMin = fGonioStatOscillationStart
elif (fGonioStatOscillationStartMin > fGonioStatOscillationStart):
fGonioStatOscillationStartMin = fGonioStatOscillationStart
# Loop through the list of sub wedges
for xsDataSubWedge in xsDataSubWedgeList:
xsDataImageList = xsDataSubWedge.getImage()
xsDataGoniostat = xsDataSubWedge.getExperimentalCondition(
).getGoniostat()
fGonioStatOscillationStart = xsDataGoniostat.getRotationAxisStart(
).getValue()
fGonioStatOscillationRange = xsDataGoniostat.getOscillationWidth(
).getValue()
# First find the lowest and highest image numbers
iLowestImageNumber = None
for xsDataImage in xsDataImageList:
iImageNumber = xsDataImage.getNumber().getValue()
if (iLowestImageNumber is None):
iLowestImageNumber = iImageNumber
elif (iImageNumber < iLowestImageNumber):
iLowestImageNumber = iImageNumber
# Loop through the list of images
iLowestXDSImageNumber = None
iHighestXDSImageNumber = None
for xsDataImage in xsDataImageList:
iImageNumber = xsDataImage.getNumber().getValue()
fImageOscillationStart = fGonioStatOscillationStart + (
iImageNumber -
iLowestImageNumber) * fGonioStatOscillationRange
iXDSImageNumber = iXDSLowestImageNumberGlobal + int(
(fImageOscillationStart - fGonioStatOscillationStartMin) /
fGonioStatOscillationRange)
#print iXDSImageNumber, fImageOscillationStart, fGonioStatOscillationStartMin, fGonioStatOscillationRange
pyStrSourcePath = xsDataImage.getPath()
pyStrTarget = "%s_xdslink_%05d.%s" % (
pyStrPrefix, iXDSImageNumber, pyStrSuffix)
xsDataXDSImageLink = XSDataXDSImageLink()
xsDataFileSource = XSDataFile()
xsDataFileSource.setPath(pyStrSourcePath)
xsDataXDSImageLink.setSource(xsDataFileSource)
xsDataXDSImageLink.setTarget(XSDataString(pyStrTarget))
xsDataInputXDS.addImage_link(xsDataXDSImageLink)
if (iLowestXDSImageNumber is None):
iLowestXDSImageNumber = iXDSImageNumber
elif (iLowestXDSImageNumber > iXDSImageNumber):
iLowestXDSImageNumber = iXDSImageNumber
if (iHighestXDSImageNumber is None):
iHighestXDSImageNumber = iXDSImageNumber
elif (iHighestXDSImageNumber < iXDSImageNumber):
iHighestXDSImageNumber = iXDSImageNumber
xsDataXDSIntegerRange = XSDataXDSIntegerRange()
xsDataXDSIntegerRange.setLower(
XSDataInteger(iLowestXDSImageNumber))
xsDataXDSIntegerRange.setUpper(
XSDataInteger(iHighestXDSImageNumber))
xsDataXDSImage.addBackground_range(xsDataXDSIntegerRange)
xsDataXDSImage.addData_range(xsDataXDSIntegerRange)
xsDataXDSImage.addSpot_range(xsDataXDSIntegerRange)
xsDataInputXDS.setImage(xsDataXDSImage)
return xsDataInputXDS
def testGetXSDataRaddoseInput(self):
"""
"""
from XSDataCommon import XSDataLength
from XSDataCommon import XSDataWavelength
from XSDataCommon import XSDataFlux
from XSDataCommon import XSDataSize
from XSDataCommon import XSDataDouble
from XSDataCommon import XSDataString
from XSDataCommon import XSDataAngle
from XSDataCommon import XSDataTime
from XSDataCommon import XSDataInteger
from XSDataMXv1 import XSDataBeam
from XSDataMXv1 import XSDataStructure
from XSDataMXv1 import XSDataChain
from XSDataMXv1 import XSDataAtom
from XSDataMXv1 import XSDataLigand
from XSDataMXv1 import XSDataCrystal
from XSDataMXv1 import XSDataSpaceGroup
from XSDataMXv1 import XSDataSampleCrystalMM
from XSDataMXv1 import XSDataChemicalCompositionMM
from XSDataMXv1 import XSDataAtomicComposition
from XSDataMXv1 import XSDataSolvent
from XSDataMXv1 import XSDataCell
from EDHandlerXSDataRaddosev10 import EDHandlerXSDataRaddosev10
EDFactoryPluginStatic.loadModule("XSDataRaddosev10")
from XSDataRaddosev10 import XSDataRaddoseInput
xsDataBeam = XSDataBeam()
xsDataBeam.setSize(XSDataSize(x=XSDataLength(0.1),
y=XSDataLength(0.1)))
xsDataBeam.setWavelength(XSDataWavelength(2.41))
xsDataBeam.setFlux(XSDataFlux(1e+12))
xsDataBeam.setExposureTime(XSDataTime(0.037))
xsDataSample = XSDataSampleCrystalMM()
xsDataStructure = XSDataStructure()
xsDataComposition = XSDataChemicalCompositionMM()
xsDataChain = XSDataChain()
xsDataChain.setType(XSDataString("protein"))
xsDataChain.setNumberOfCopies(XSDataDouble(2))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom1 = XSDataAtom()
xsDataAtom1.setSymbol(XSDataString("Se"))
xsDataAtom1.setNumberOf(XSDataDouble(4))
xsDataAtomicComposition.addAtom(xsDataAtom1)
xsDataAtom2 = XSDataAtom()
xsDataAtom2.setSymbol(XSDataString("S"))
xsDataAtom2.setNumberOf(XSDataDouble(5))
xsDataAtomicComposition.addAtom(xsDataAtom2)
xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
xsDataChain.setNumberOfMonomers(XSDataDouble(100))
xsDataStructure.addChain(xsDataChain)
xsDataChain2 = XSDataChain()
xsDataChain2.setType(XSDataString("rna"))
xsDataChain2.setNumberOfCopies(XSDataDouble(1))
xsDataChain2.setNumberOfMonomers(XSDataDouble(60))
xsDataStructure.addChain(xsDataChain2)
xsDataLigand = XSDataLigand()
xsDataLigand.setNumberOfCopies(XSDataDouble(2))
xsDataLigand.setNumberOfLightAtoms(XSDataDouble(42))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom3 = XSDataAtom()
xsDataAtom3.setSymbol(XSDataString("Fe"))
xsDataAtom3.setNumberOf(XSDataDouble(1))
xsDataAtomicComposition.addAtom(xsDataAtom3)
xsDataLigand.setHeavyAtoms(xsDataAtomicComposition)
xsDataStructure.addLigand(xsDataLigand)
xsDataStructure.setNumberOfCopiesInAsymmetricUnit(XSDataDouble(0.25))
xsDataSolvent = XSDataSolvent()
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtomNa = XSDataAtom()
xsDataAtomNa.setSymbol(XSDataString("Na"))
xsDataAtomNa.setConcentration(XSDataDouble(1000))
xsDataAtomicComposition.addAtom(xsDataAtomNa)
xsDataAtomCl = XSDataAtom()
xsDataAtomCl.setSymbol(XSDataString("Cl"))
xsDataAtomCl.setConcentration(XSDataDouble(1000))
xsDataAtomicComposition.addAtom(xsDataAtomCl)
xsDataSolvent.setAtoms(xsDataAtomicComposition)
xsDataComposition.setStructure(xsDataStructure)
xsDataComposition.setSolvent(xsDataSolvent)
xsDataSample.setChemicalComposition(xsDataComposition)
xsDataSample.setSize(
XSDataSize(XSDataLength(0.1), XSDataLength(0.1),
XSDataLength(0.1)))
xsDataCell = XSDataCell(angle_alpha=XSDataAngle(90.0),
angle_beta=XSDataAngle(90.0),
angle_gamma=XSDataAngle(90.0),
length_a=XSDataLength(78.9),
length_b=XSDataLength(95.162),
length_c=XSDataLength(104.087))
xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataCrystal.setCell(xsDataCell)
xsDataSpaceGroup.setITNumber(XSDataInteger(16))
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataSample.setCrystal(xsDataCrystal)
iNumSymOperators = 4
iNumberOfImages = 2
xsDataRaddosev01Input = EDHandlerXSDataRaddosev10(
).getXSDataRaddoseInput(xsDataBeam, xsDataSample, iNumSymOperators,
iNumberOfImages)
xsDataRaddosev01Input.exportToFile(self.strObtainedInputFile2)
strExpectedInput = EDUtilsTest.readAndParseFile(
self.strReferenceInputFile2)
strObtainedInput = EDUtilsTest.readAndParseFile(
self.strObtainedInputFile2)
xsDataInputExpected = XSDataRaddoseInput.parseString(strExpectedInput)
xsDataInputObtained = XSDataRaddoseInput.parseString(strObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(),
xsDataInputObtained.marshal())
def buildChildren(self, child_, nodeName_): if child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'beamExposureTime': obj_ = XSDataTime() obj_.build(child_) self.setBeamExposureTime(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'beamFlux': obj_ = XSDataFlux() obj_.build(child_) self.setBeamFlux(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'beamSize': obj_ = XSDataSize() obj_.build(child_) self.setBeamSize(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'beamWavelength': obj_ = XSDataWavelength() obj_.build(child_) self.setBeamWavelength(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalCell': obj_ = XSDataCell() obj_.build(child_) self.setCrystalCell(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalNDNA': obj_ = XSDataInteger() obj_.build(child_) self.setCrystalNDNA(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalNMON': obj_ = XSDataInteger() obj_.build(child_) self.setCrystalNMON(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalNRES': obj_ = XSDataInteger() obj_.build(child_) self.setCrystalNRES(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalNRNA': obj_ = XSDataInteger() obj_.build(child_) self.setCrystalNRNA(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalPATM': obj_ = XSDataAtomicComposition() obj_.build(child_) self.setCrystalPATM(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalSATM': obj_ = XSDataAtomicComposition() obj_.build(child_) self.setCrystalSATM(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'crystalSize': obj_ = XSDataSize() obj_.build(child_) self.setCrystalSize(obj_) elif child_.nodeType == Node.ELEMENT_NODE and \ nodeName_ == 'numberOfImages': obj_ = XSDataInteger() obj_.build(child_) self.setNumberOfImages(obj_) XSDataInput.buildChildren(self, child_, nodeName_)
def generateXSDataMOSFLMInputIndexing(_xsDataIndexingInput):
"""
Translation from XSDataIndexingInput to XSDataMOSFLMInputIndexing.
"""
EDFactoryPluginStatic.loadModule("XSDataMOSFLMv10")
from XSDataMOSFLMv10 import XSDataMOSFLMInputIndexing
from XSDataMOSFLMv10 import XSDataMOSFLMBeamPosition
from XSDataMOSFLMv10 import XSDataMOSFLMImage
EDVerbose.DEBUG(
"EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing")
xsDataCollection = _xsDataIndexingInput.getDataCollection()
xsDataExperimentalCondition = _xsDataIndexingInput.getExperimentalCondition(
)
xsDataCrystal = _xsDataIndexingInput.getCrystal()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
xsDataMOSFLMInputIndexing = XSDataMOSFLMInputIndexing()
if (xsDataExperimentalCondition is None):
xsDataExperimentalCondition = xsDataSubWedgeList[
0].getExperimentalCondition()
xsDataBeam = xsDataExperimentalCondition.getBeam()
xsDataDetector = xsDataExperimentalCondition.getDetector()
xsDataGoniostat = xsDataExperimentalCondition.getGoniostat()
dWavelength = xsDataBeam.getWavelength().getValue()
dDistance = xsDataDetector.getDistance().getValue()
dBeamPositionX = xsDataDetector.getBeamPositionX().getValue()
dBeamPositionY = xsDataDetector.getBeamPositionY().getValue()
xsDataMOSFLMBeamPosition = XSDataMOSFLMBeamPosition()
xsDataMOSFLMBeamPosition.setX(XSDataLength(dBeamPositionX))
xsDataMOSFLMBeamPosition.setY(XSDataLength(dBeamPositionY))
xsDataMOSFLMInputIndexing.setBeam(xsDataMOSFLMBeamPosition)
xsDataMOSFLMDetector = EDHandlerXSDataMOSFLMv10.getXSDataMOSFLMDetector(
xsDataDetector)
xsDataMOSFLMInputIndexing.setDetector(xsDataMOSFLMDetector)
xsDataMOSFLMInputIndexing.setWavelength(XSDataWavelength(dWavelength))
xsDataMOSFLMInputIndexing.setDistance(XSDataLength(dDistance))
xsDataSubWedgeFirst = xsDataSubWedgeList[0]
xsDataImageFirst = xsDataSubWedgeFirst.getImage()[0]
strPath = xsDataImageFirst.getPath().getValue()
strFileName = os.path.basename(strPath)
strDirectory = os.path.dirname(strPath)
if xsDataDetector.type.value == "eiger2_16m":
strMOSFLMTemplate = EDUtilsImage.getH5MasterTemplate(
strFileName, 1)
else:
strMOSFLMTemplate = EDUtilsImage.getTemplate(strFileName, "#")
xsDataMOSFLMInputIndexing.setTemplate(XSDataString(strMOSFLMTemplate))
xsDataMOSFLMInputIndexing.setDirectory(XSDataString(strDirectory))
if (xsDataCrystal is not None):
xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
if (xsDataSpaceGroup is not None):
xsDataStringName = xsDataSpaceGroup.getName()
if (xsDataStringName is not None):
xsDataMOSFLMInputIndexing.setSymmetry(
XSDataString(xsDataStringName.getValue()))
# Loop through the list of sub wedges
for xsDataSubWedge in xsDataSubWedgeList:
xsDataImageList = xsDataSubWedge.getImage()
xsDataGoniostat = xsDataSubWedge.getExperimentalCondition(
).getGoniostat()
fGonioStatOscillationStart = xsDataGoniostat.getRotationAxisStart(
).getValue()
fGonioStatOscillationRange = xsDataGoniostat.getOscillationWidth(
).getValue()
# First find the lowest image number
iLowestImageNumber = None
for xsDataImage in xsDataImageList:
iImageNumber = xsDataImage.getNumber().getValue()
if (iLowestImageNumber is None):
iLowestImageNumber = iImageNumber
elif (iImageNumber < iLowestImageNumber):
iLowestImageNumber = iImageNumber
# Loop through the list of images
for xsDataImage in xsDataImageList:
# Create the MOSFLM image object
xsDataMOSFLMImage = XSDataMOSFLMImage()
iImageNumber = xsDataImage.getNumber().getValue()
xsDataMOSFLMImage.setNumber(XSDataInteger(iImageNumber))
fImageOscillationStart = fGonioStatOscillationStart + (
iImageNumber -
iLowestImageNumber) * fGonioStatOscillationRange
xsDataMOSFLMImage.setRotationAxisStart(
XSDataAngle(fImageOscillationStart))
xsDataMOSFLMImage.setRotationAxisEnd(
XSDataAngle(fImageOscillationStart +
fGonioStatOscillationRange))
xsDataMOSFLMInputIndexing.addImage(xsDataMOSFLMImage)
return xsDataMOSFLMInputIndexing
def createInputCharacterisationFromSubWedges(self):
self.DEBUG(
"EDPluginControlInterfacev1_3.createInputCharacterisationFromSubWedges"
)
xsDataResultSubWedgeAssemble = self.edPluginControlSubWedgeAssemble.getDataOutput(
)
self.xsDataInputCharacterisation = XSDataInputCharacterisation()
xsDataCollection = XSDataCollection()
# Default exposure time (for the moment, this value should be
# possible to read from the command line)
if self.xsDataDiffractionPlan is None:
self.xsDataDiffractionPlan = XSDataDiffractionPlan()
if (not xsDataResultSubWedgeAssemble is None):
pyListSubWedge = xsDataResultSubWedgeAssemble.getSubWedge()
xsDataCollection.setSubWedge(pyListSubWedge)
for xsDataSubWedge in pyListSubWedge:
if (self.strComplexity is not None):
self.xsDataDiffractionPlan.setComplexity(
XSDataString(self.strComplexity))
if (self.fFlux is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setFlux(XSDataFlux(self.fFlux))
if (self.fBeamSizeX is not None) and (self.fBeamSizeY
is not None):
xsDataSize = XSDataSize()
xsDataSize.setX(XSDataLength(self.fBeamSizeX))
xsDataSize.setY(XSDataLength(self.fBeamSizeY))
xsDataSubWedge.getExperimentalCondition().getBeam(
).setSize(xsDataSize)
if (self.fApertureSize is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setApertureSize(XSDataLength(self.fApertureSize))
if (self.fBeamPosX is not None):
xsDataSubWedge.getExperimentalCondition().getDetector(
).setBeamPositionX(XSDataLength(self.fBeamPosX))
if (self.fBeamPosY is not None):
xsDataSubWedge.getExperimentalCondition().getDetector(
).setBeamPositionY(XSDataLength(self.fBeamPosY))
if (self.fMinExposureTimePerImage is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setMinExposureTimePerImage(
XSDataTime(self.fMinExposureTimePerImage))
if (self.fTransmission is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setTransmission(XSDataDouble(self.fTransmission))
if (self.fWavelength is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setWavelength(XSDataWavelength(self.fWavelength))
if self.fMinOscillationWidth != None:
xsDataSubWedge.getExperimentalCondition().getGoniostat(
).setMinOscillationWidth(
XSDataAngle(self.fMinOscillationWidth))
if self.fMaxOscillationSpeed != None:
xsDataSubWedge.getExperimentalCondition().getGoniostat(
).setMaxOscillationSpeed(
XSDataAngularSpeed(self.fMaxOscillationSpeed))
if (self.strForcedSpaceGroup is not None):
self.xsDataDiffractionPlan.setForcedSpaceGroup(
XSDataString(self.strForcedSpaceGroup))
self.xsDataDiffractionPlan.setAnomalousData(
XSDataBoolean(self.bAnomalousData))
self.xsDataDiffractionPlan.setMaxExposureTimePerDataCollection(
XSDataTime(self.fMaxExposureTimePerDataCollection))
if (self.strStrategyOption is not None):
self.xsDataDiffractionPlan.setStrategyOption(
XSDataString(self.strStrategyOption))
xsDataCollection.setDiffractionPlan(self.xsDataDiffractionPlan)
if self.xsDataSample is not None:
xsDataCollection.setSample(
XSDataSampleCrystalMM.parseString(self.xsDataSample.marshal()))
self.xsDataInputCharacterisation.setDataCollection(xsDataCollection)
def buildChildren(self, child_, nodeName_):
if child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'experimentalCondition':
obj_ = XSDataExperimentalCondition()
obj_.build(child_)
self.setExperimentalCondition(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'diffractionPlan':
obj_ = XSDataDiffractionPlan()
obj_.build(child_)
self.setDiffractionPlan(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'sample':
obj_ = XSDataSampleCrystalMM()
obj_.build(child_)
self.setSample(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'imagePath':
obj_ = XSDataFile()
obj_.build(child_)
self.imagePath.append(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'flux':
obj_ = XSDataFloat()
obj_.build(child_)
self.setFlux(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'minExposureTimePerImage':
obj_ = XSDataTime()
obj_.build(child_)
self.setMinExposureTimePerImage(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'beamSize':
obj_ = XSDataLength()
obj_.build(child_)
self.setBeamSize(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'beamSizeX':
obj_ = XSDataLength()
obj_.build(child_)
self.setBeamSizeX(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'beamSizeY':
obj_ = XSDataLength()
obj_.build(child_)
self.setBeamSizeY(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'apertureSize':
obj_ = XSDataLength()
obj_.build(child_)
self.setApertureSize(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'templateMode':
obj_ = XSDataBoolean()
obj_.build(child_)
self.setTemplateMode(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'generatedTemplateFile':
obj_ = XSDataFile()
obj_.build(child_)
self.setGeneratedTemplateFile(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'resultsFilePath':
obj_ = XSDataFile()
obj_.build(child_)
self.setResultsFilePath(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'beamPosX':
obj_ = XSDataFloat()
obj_.build(child_)
self.setBeamPosX(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'beamPosY':
obj_ = XSDataFloat()
obj_.build(child_)
self.setBeamPosY(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'wavelength':
obj_ = XSDataWavelength()
obj_.build(child_)
self.setWavelength(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'transmission':
obj_ = XSDataDouble()
obj_.build(child_)
self.setTransmission(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'dataCollectionId':
obj_ = XSDataInteger()
obj_.build(child_)
self.setDataCollectionId(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'shortComments':
obj_ = XSDataString()
obj_.build(child_)
self.setShortComments(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'comments':
obj_ = XSDataString()
obj_.build(child_)
self.setComments(obj_)
elif child_.nodeType == Node.ELEMENT_NODE and \
nodeName_ == 'inputCharacterisation':
obj_ = XSDataInputCharacterisation()
obj_.build(child_)
self.setInputCharacterisation(obj_)
def process(self, _edObject=None):
EDPluginExec.process(self)
EDVerbose.DEBUG("*** EDPluginExecReadImageHeaderADSCv10.process")
xsDataInputReadImageHeader = self.getDataInput()
xsDataFile = xsDataInputReadImageHeader.getImage()
strPath = xsDataFile.getPath().getValue()
strAbsolutePath = os.path.abspath(strPath)
dictHeader = self.readHeaderADSC(strPath)
if (dictHeader is None):
strErrorMessage = "EDPluginExecReadImageHeaderADSCv10.process : error when reading header from %s" % strAbsolutePath
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
else:
xsDataExperimentalCondition = XSDataExperimentalCondition()
xsDataDetector = XSDataDetector()
xsDataDetector.setBeamPositionX(XSDataLength(float(dictHeader[ "BEAM_CENTER_X" ])))
xsDataDetector.setBeamPositionY(XSDataLength(float(dictHeader[ "BEAM_CENTER_Y" ])))
xsDataDetector.setDistance(XSDataLength(float(dictHeader[ "DISTANCE" ])))
fPixelSize = float(dictHeader[ "PIXEL_SIZE" ])
xsDataDetector.setPixelSizeX(XSDataLength(fPixelSize))
xsDataDetector.setPixelSizeY(XSDataLength(fPixelSize))
if "TWOTHETA" in dictHeader.keys():
xsDataDetector.setTwoTheta(XSDataAngle(float(dictHeader[ "TWOTHETA" ])))
xsDataDetector.setNumberBytesInHeader(XSDataInteger(float(dictHeader[ "HEADER_BYTES" ])))
xsDataDetector.setSerialNumber(XSDataString(dictHeader[ "DETECTOR_SN" ]))
xsDataDetector.setNumberPixelX(XSDataInteger(int(dictHeader[ "SIZE1" ])))
xsDataDetector.setNumberPixelY(XSDataInteger(int(dictHeader[ "SIZE2" ])))
xsDataDetector.setBin(XSDataString(dictHeader[ "BIN" ]))
xsDataDetector.setDataType(XSDataString(dictHeader[ "TYPE" ]))
xsDataDetector.setByteOrder(XSDataString(dictHeader[ "BYTE_ORDER" ]))
if "CCD_IMAGE_SATURATION" in dictHeader.keys():
xsDataDetector.setImageSaturation(XSDataInteger(int(dictHeader[ "CCD_IMAGE_SATURATION" ])))
# Determine type of detector...
iNoPixelsX = xsDataDetector.getNumberPixelX().getValue()
iNoPixelsY = xsDataDetector.getNumberPixelY().getValue()
if (iNoPixelsX == 2304 and iNoPixelsY == 2304):
xsDataDetector.setName(XSDataString("ADSC Q4"))
xsDataDetector.setType(XSDataString("q4"))
elif (iNoPixelsX == 1152 and iNoPixelsY == 1152):
xsDataDetector.setName(XSDataString("ADSC Q4 bin 2x2"))
xsDataDetector.setType(XSDataString("q4-2x"))
elif (iNoPixelsX == 4096 and iNoPixelsY == 4096):
xsDataDetector.setName(XSDataString("ADSC Q210"))
xsDataDetector.setType(XSDataString("q210"))
elif (iNoPixelsX == 2048 and iNoPixelsY == 2048):
xsDataDetector.setName(XSDataString("ADSC Q210 bin 2x2"))
xsDataDetector.setType(XSDataString("q210-2x"))
elif (iNoPixelsX == 6144 and iNoPixelsY == 6144):
xsDataDetector.setName(XSDataString("ADSC Q315"))
xsDataDetector.setType(XSDataString("q315"))
elif (iNoPixelsX == 3072 and iNoPixelsY == 3072):
xsDataDetector.setName(XSDataString("ADSC Q315 bin 2x2"))
xsDataDetector.setType(XSDataString("q315-2x"))
else:
strErrorMessage = EDMessage.ERROR_DATA_HANDLER_02 % ("EDPluginExecReadImageHeaderADSCv10.process", "Unknown detector type")
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
raise RuntimeError, strErrorMessage
xsDataExperimentalCondition.setDetector(xsDataDetector)
# Beam object
xsDataBeam = XSDataBeam()
xsDataBeam.setWavelength(XSDataWavelength(float(dictHeader[ "WAVELENGTH" ])))
xsDataBeam.setExposureTime(XSDataTime(float(dictHeader[ "TIME" ])))
xsDataExperimentalCondition.setBeam(xsDataBeam)
# Goniostat object
xsDataGoniostat = XSDataGoniostat()
fRotationAxisStart = float(dictHeader[ "OSC_START" ])
fOscillationWidth = float(dictHeader[ "OSC_RANGE" ])
xsDataGoniostat.setRotationAxisStart(XSDataAngle(fRotationAxisStart))
xsDataGoniostat.setRotationAxisEnd(XSDataAngle(fRotationAxisStart + fOscillationWidth))
xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
strRotationAxis = None
if ("AXIS" in dictHeader.keys()):
strRotationAxis = dictHeader[ "AXIS" ]
elif ("OSC_AXIS" in dictHeader.keys()):
strRotationAxis = dictHeader[ "OSC_AXIS" ]
else:
strErrorMessage = "EDPluginExecReadImageHeaderADSCv10.process : Neither AXIS nor OSC_AXIS header item found."
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
xsDataGoniostat.setRotationAxis(XSDataString(strRotationAxis))
xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)
# Create the image object
xsDataImage = XSDataImage()
xsDataImage.setPath(XSDataString(strAbsolutePath))
xsDataImage.setDate(XSDataString(dictHeader[ "DATE" ]))
strFileName = os.path.basename(strPath)
iImageNumber = EDUtilsImage.getImageNumber(strFileName)
xsDataImage.setNumber(XSDataInteger(iImageNumber))
xsDataSubWedge = XSDataSubWedge()
xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
xsDataSubWedge.addImage(xsDataImage)
self.__xsDataResultReadImageHeader = XSDataResultReadImageHeader()
self.__xsDataResultReadImageHeader.setSubWedge(xsDataSubWedge)
def testIsSameExperimentalCondition(self):
edPluginSubWedgeMergev10 = self.createPlugin()
xsDataExperimentalConditionReference = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionSameAsReference = self.getTestExperimentalCondition(
)
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionSameAsReference), True)
xsDataExperimentalConditionDifferentExposureTime = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentExposureTime.getBeam(
).setExposureTime(XSDataTime(10.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentExposureTime), False)
xsDataExperimentalConditionDifferentWavelength = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentWavelength.getBeam().setWavelength(
XSDataWavelength(1.5))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentWavelength), False)
xsDataExperimentalConditionDifferentBeamPositionX = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentBeamPositionX.getDetector(
).setBeamPositionX(XSDataLength(20.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentBeamPositionX), False)
xsDataExperimentalConditionDifferentBeamPositionY = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentBeamPositionY.getDetector(
).setBeamPositionY(XSDataLength(20.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentBeamPositionY), False)
xsDataExperimentalConditionDifferentDistance = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentDistance.getDetector().setDistance(
XSDataLength(220.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentDistance), False)
xsDataExperimentalConditionDifferentName = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentName.getDetector().setName(
XSDataString(u"EDNA"))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentName), False)
xsDataExperimentalConditionDifferentNumberPixelX = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentNumberPixelX.getDetector(
).setNumberPixelX(XSDataInteger(2))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentNumberPixelX), False)
xsDataExperimentalConditionDifferentNumberPixelY = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentNumberPixelY.getDetector(
).setNumberPixelY(XSDataInteger(2))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentNumberPixelY), False)
xsDataExperimentalConditionDifferentSerialNumber = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentSerialNumber.getDetector(
).setSerialNumber(XSDataString(u"EDNA"))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentSerialNumber), False)
xsDataExperimentalConditionDifferentTwoTheta = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentTwoTheta.getDetector().setTwoTheta(
XSDataAngle(90.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentTwoTheta), False)
xsDataExperimentalConditionDifferentOscillationWidth = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentOscillationWidth.getGoniostat(
).setOscillationWidth(XSDataAngle(2.0))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentOscillationWidth), False)
xsDataExperimentalConditionDifferentRotationAxis = self.getTestExperimentalCondition(
)
xsDataExperimentalConditionDifferentRotationAxis.getGoniostat(
).setRotationAxis(XSDataString(u"EDNA"))
EDAssert.equal(
edPluginSubWedgeMergev10.isSameExperimentalCondition(
xsDataExperimentalConditionReference,
xsDataExperimentalConditionDifferentRotationAxis), False)
def populateXSDataInputSPDCake(self, _inputDict=None):
self.DEBUG("EDPluginControlID11v1_0.populateXSDataInputSPDCake")
xsDataInputSPDCake = XSDataInputSPDCake()
if isinstance(_inputDict, dict):
self.__dictID11 = _inputDict
# Angle of tilt
if "ANGLE OF TILT" in self.__dictID11:
xsDataTilt = XSDataAngle()
xsDataTilt.setValue(float(self.__dictID11["ANGLE OF TILT"]))
xsDataTilt.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setAngleOfTilt(xsDataTilt)
if "TILT ROTATION" in self.__dictID11:
xsDataTiltRot = XSDataAngle()
xsDataTiltRot.setValue(float(self.__dictID11["TILT ROTATION"]))
xsDataTiltRot.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setTiltRotation(xsDataTiltRot)
if "X-PIXEL SIZE" in self.__dictID11:
xsDataXPixel = XSDataLength()
xsDataXPixel.setValue(float(self.__dictID11["Y-PIXEL SIZE"]))
xsDataXPixel.setUnit(XSDataString("micron"))
xsDataInputSPDCake.setPixelSizeX(xsDataXPixel)
if "Y-PIXEL SIZE" in self.__dictID11:
xsDataYPixel = XSDataLength()
xsDataYPixel.setValue(float(self.__dictID11["Y-PIXEL SIZE"]))
xsDataYPixel.setUnit(XSDataString("micron"))
xsDataInputSPDCake.setPixelSizeY(xsDataYPixel)
if "DISTANCE" in self.__dictID11:
xsDataDistance = XSDataLength()
xsDataDistance.setValue(float(self.__dictID11["DISTANCE"]))
xsDataDistance.setUnit(XSDataString("mm"))
xsDataInputSPDCake.setSampleToDetectorDistance(xsDataDistance)
if "WAVELENGTH" in self.__dictID11:
xsDataWaweLength = XSDataWavelength()
xsDataWaweLength.setValue(float(self.__dictID11["WAVELENGTH"]))
xsDataWaweLength.setUnit(XSDataString("A"))
xsDataInputSPDCake.setWavelength(xsDataWaweLength)
if "DIM1_DATA" in self.__dictID11:
xsDataBufferSizeX = XSDataInteger(int(
self.__dictID11["DIM1_DATA"]))
xsDataInputSPDCake.setBufferSizeX(xsDataBufferSizeX)
if "DIM2_DATA" in self.__dictID11:
xsDataBufferSizeY = XSDataInteger(int(
self.__dictID11["DIM2_DATA"]))
xsDataInputSPDCake.setBufferSizeY(xsDataBufferSizeY)
# Dark current
if ("DARK CURRENT"
in self.__dictID11) and (self.__dictID11["DARK CURRENT"]
== "YES"):
if ("DC FILE" in self.__dictID11) and os.path.isfile(
self.__dictID11["DC FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["DC FILE"]))
xsDataInputSPDCake.setDarkCurrentImageFile(xsDataFile)
else:
self.warning(
"Asked for DC Current correction but no DC current file")
if ("FLAT-FIELD" in self.__dictID11) and (self.__dictID11["FLAT-FIELD"]
== "YES"):
if ("FF FILE" in self.__dictID11) and os.path.isfile(
self.__dictID11["FF FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["FF FILE"]))
xsDataInputSPDCake.setFlatFieldImageFile(xsDataFile)
else:
self.warning(
"Asked for FLAT-FIELD correction but no FLAT-FIELD file")
if ("MASK FILE" in self.__dictID11) and (self.__dictID11["USE MASK"]
== "YES"):
if ("MASK FILE" in self.__dictID11) and os.path.isfile(
self.__dictID11["MASK FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["MASK FILE"]))
xsDataInputSPDCake.setMaskFile(xsDataFile)
else:
self.warning(
"Asked for DC Current correction but no DC current file")
if ("FF SCALE" in self.__dictID11) and (self.__dictID11["FF SCALE"]
== "YES"):
if ("FF MULTIPLIER" in self.__dictID11):
try:
value = float(self.__dictID11["FF MULTIPLIER"])
except Exception:
self.warning(
"Asked for FF SCALE correction but FF MULTIPLIER provided (%s) in not float !"
% (self.__dictID11["FF MULTIPLIER"]))
else:
xsDataInputSPDCake.setIntensityScaleFactor(
XSDataDouble(1 / value))
else:
self.warning(
"Asked for FF SCALE correction but no FF MULTIPLIER provided"
)
if ("SPATIAL DIS."
in self.__dictID11) and (self.__dictID11["SPATIAL DIS."]
== "YES"):
if ("SD FILE" in self.__dictID11) and os.path.isfile(
self.__dictID11["SD FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["SD FILE"]))
xsDataInputSPDCake.setSpatialDistortionFile(xsDataFile)
else:
self.warning(
"Asked for SPATIAL DISTORSION correction but no SPATIAL DISTORSION file"
)
if "START AZIMUTH" in self.__dictID11:
xsDataAzimuthStart = XSDataAngle()
xsDataAzimuthStart.setValue(float(
self.__dictID11["START AZIMUTH"]))
xsDataAzimuthStart.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStartAzimuth(xsDataAzimuthStart)
if "END AZIMUTH" in self.__dictID11:
xsDataAzimuthStop = XSDataAngle()
xsDataAzimuthStop.setValue(float(self.__dictID11["END AZIMUTH"]))
xsDataAzimuthStop.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStopAzimuth(xsDataAzimuthStop)
if "AZIMUTH BINS" in self.__dictID11:
xsDataAzimuthStep = XSDataAngle()
xsDataAzimuthStep.setValue(
(float(self.__dictID11["END AZIMUTH"]) -
float(self.__dictID11["START AZIMUTH"])) /
float(self.__dictID11["AZIMUTH BINS"]))
xsDataAzimuthStep.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStepAzimuth(xsDataAzimuthStep)
if "INNER RADIUS" in self.__dictID11:
xsDataInnerRadius = XSDataDouble()
xsDataInnerRadius.setValue(float(self.__dictID11["INNER RADIUS"]))
xsDataInputSPDCake.setInnerRadius(xsDataInnerRadius)
if "OUTER RADIUS" in self.__dictID11:
xsDataOuterRadius = XSDataDouble()
xsDataOuterRadius.setValue(float(self.__dictID11["OUTER RADIUS"]))
xsDataInputSPDCake.setOuterRadius(xsDataOuterRadius)
if "X-BEAM CENTRE" in self.__dictID11:
xsDataXBeamCentre = XSDataDouble()
xsDataXBeamCentre.setValue(float(self.__dictID11["X-BEAM CENTRE"]))
xsDataInputSPDCake.setBeamCentreInPixelsX(xsDataXBeamCentre)
if "Y-BEAM CENTRE" in self.__dictID11:
xsDataYBeamCentre = XSDataDouble()
xsDataYBeamCentre.setValue(float(self.__dictID11["Y-BEAM CENTRE"]))
xsDataInputSPDCake.setBeamCentreInPixelsY(xsDataYBeamCentre)
# if "saving_format" in self.__dictID11:
# xsSaveFormat = XSDataString()
# if self.__dictID11["saving_format"] == "SPREAD SHEET":
# xsSaveFormat.setValue("spr")
# elif self.__dictID11["saving_format"] == "CIF":
# xsSaveFormat.setValue("cif")
# elif self.__dictID11["saving_format"] == "CHIPLOT":
# xsSaveFormat.setValue("chi")
# else:
# xsSaveFormat.setValue("edf")
# xsDataInputSPDCake.setOutputFileType(xsSaveFormat)
if "output_dir" in self.__dictID11:
xsOutputDir = XSDataFile()
xsOutputDir.setPath(XSDataString(self.__dictID11["output_dir"]))
xsDataInputSPDCake.setOutputDir(xsOutputDir)
#Default options to SPD
xsDataInputSPDCake.setOutputFileType(XSDataString("azim"))
xsDataInputSPDCake.setDeleteCorImg(
XSDataBoolean(not self.isVerboseDebug()))
xsDataInputSPDCake.setCorrectTiltMask(XSDataBoolean(self.bCorrectMask))
return xsDataInputSPDCake
def populateXSDataInputSPDCake(self, _inputDict=None):
self.DEBUG("EDPluginControlID11v1_0.populateXSDataInputSPDCake")
xsDataInputSPDCake = XSDataInputSPDCake()
if isinstance(_inputDict, dict):
self.__dictID11 = _inputDict
# Angle of tilt
if "ANGLE OF TILT" in self.__dictID11:
xsDataTilt = XSDataAngle()
xsDataTilt.setValue(float(self.__dictID11["ANGLE OF TILT"]))
xsDataTilt.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setAngleOfTilt(xsDataTilt)
if "TILT ROTATION" in self.__dictID11:
xsDataTiltRot = XSDataAngle()
xsDataTiltRot.setValue(float(self.__dictID11["TILT ROTATION"]))
xsDataTiltRot.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setTiltRotation(xsDataTiltRot)
if "X-PIXEL SIZE" in self.__dictID11:
xsDataXPixel = XSDataLength()
xsDataXPixel.setValue(float(self.__dictID11["Y-PIXEL SIZE"]))
xsDataXPixel.setUnit(XSDataString("micron"))
xsDataInputSPDCake.setPixelSizeX(xsDataXPixel)
if "Y-PIXEL SIZE" in self.__dictID11:
xsDataYPixel = XSDataLength()
xsDataYPixel.setValue(float(self.__dictID11["Y-PIXEL SIZE"]))
xsDataYPixel.setUnit(XSDataString("micron"))
xsDataInputSPDCake.setPixelSizeY(xsDataYPixel)
if "DISTANCE" in self.__dictID11:
xsDataDistance = XSDataLength()
xsDataDistance.setValue(float(self.__dictID11["DISTANCE"]))
xsDataDistance.setUnit(XSDataString("mm"))
xsDataInputSPDCake.setSampleToDetectorDistance(xsDataDistance)
if "WAVELENGTH" in self.__dictID11:
xsDataWaweLength = XSDataWavelength()
xsDataWaweLength.setValue(float(self.__dictID11["WAVELENGTH"]))
xsDataWaweLength.setUnit(XSDataString("A"))
xsDataInputSPDCake.setWavelength(xsDataWaweLength)
if "DIM1_DATA" in self.__dictID11:
xsDataBufferSizeX = XSDataInteger(int(self.__dictID11["DIM1_DATA"]))
xsDataInputSPDCake.setBufferSizeX(xsDataBufferSizeX)
if "DIM2_DATA" in self.__dictID11:
xsDataBufferSizeY = XSDataInteger(int(self.__dictID11["DIM2_DATA"]))
xsDataInputSPDCake.setBufferSizeY(xsDataBufferSizeY)
# Dark current
if ("DARK CURRENT" in self.__dictID11) and (self.__dictID11["DARK CURRENT"] == "YES") :
if ("DC FILE" in self.__dictID11) and os.path.isfile(self.__dictID11["DC FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["DC FILE"]))
xsDataInputSPDCake.setDarkCurrentImageFile(xsDataFile)
else:
self.warning("Asked for DC Current correction but no DC current file")
if ("FLAT-FIELD" in self.__dictID11) and (self.__dictID11["FLAT-FIELD"] == "YES"):
if ("FF FILE" in self.__dictID11) and os.path.isfile(self.__dictID11["FF FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["FF FILE"]))
xsDataInputSPDCake.setFlatFieldImageFile(xsDataFile)
else:
self.warning("Asked for FLAT-FIELD correction but no FLAT-FIELD file")
if ("MASK FILE" in self.__dictID11) and (self.__dictID11["USE MASK"] == "YES") :
if ("MASK FILE" in self.__dictID11) and os.path.isfile(self.__dictID11["MASK FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["MASK FILE"]))
xsDataInputSPDCake.setMaskFile(xsDataFile)
else:
self.warning("Asked for DC Current correction but no DC current file")
if ("FF SCALE" in self.__dictID11) and (self.__dictID11["FF SCALE"] == "YES"):
if ("FF MULTIPLIER" in self.__dictID11):
try:
value = float(self.__dictID11["FF MULTIPLIER"])
except Exception:
self.warning("Asked for FF SCALE correction but FF MULTIPLIER provided (%s) in not float !" % (self.__dictID11["FF MULTIPLIER"]))
else:
xsDataInputSPDCake.setIntensityScaleFactor(XSDataDouble(1 / value))
else:
self.warning("Asked for FF SCALE correction but no FF MULTIPLIER provided")
if ("SPATIAL DIS." in self.__dictID11) and (self.__dictID11["SPATIAL DIS."] == "YES"):
if ("SD FILE" in self.__dictID11) and os.path.isfile(self.__dictID11["SD FILE"]):
xsDataFile = XSDataFile()
xsDataFile.setPath(XSDataString(self.__dictID11["SD FILE"]))
xsDataInputSPDCake.setSpatialDistortionFile(xsDataFile)
else :
self.warning("Asked for SPATIAL DISTORSION correction but no SPATIAL DISTORSION file")
if "START AZIMUTH" in self.__dictID11:
xsDataAzimuthStart = XSDataAngle()
xsDataAzimuthStart.setValue(float(self.__dictID11["START AZIMUTH"]))
xsDataAzimuthStart.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStartAzimuth(xsDataAzimuthStart)
if "END AZIMUTH" in self.__dictID11:
xsDataAzimuthStop = XSDataAngle()
xsDataAzimuthStop.setValue(float(self.__dictID11["END AZIMUTH"]))
xsDataAzimuthStop.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStopAzimuth(xsDataAzimuthStop)
if "AZIMUTH BINS" in self.__dictID11:
xsDataAzimuthStep = XSDataAngle()
xsDataAzimuthStep.setValue((float(self.__dictID11["END AZIMUTH"]) - float(self.__dictID11["START AZIMUTH"])) /
float(self.__dictID11["AZIMUTH BINS"]))
xsDataAzimuthStep.setUnit(XSDataString("deg"))
xsDataInputSPDCake.setStepAzimuth(xsDataAzimuthStep)
if "INNER RADIUS" in self.__dictID11:
xsDataInnerRadius = XSDataDouble()
xsDataInnerRadius.setValue(float(self.__dictID11["INNER RADIUS"]))
xsDataInputSPDCake.setInnerRadius(xsDataInnerRadius)
if "OUTER RADIUS" in self.__dictID11:
xsDataOuterRadius = XSDataDouble()
xsDataOuterRadius.setValue(float(self.__dictID11["OUTER RADIUS"]))
xsDataInputSPDCake.setOuterRadius(xsDataOuterRadius)
if "X-BEAM CENTRE" in self.__dictID11:
xsDataXBeamCentre = XSDataDouble()
xsDataXBeamCentre.setValue(float(self.__dictID11["X-BEAM CENTRE"]))
xsDataInputSPDCake.setBeamCentreInPixelsX(xsDataXBeamCentre)
if "Y-BEAM CENTRE" in self.__dictID11:
xsDataYBeamCentre = XSDataDouble()
xsDataYBeamCentre.setValue(float(self.__dictID11["Y-BEAM CENTRE"]))
xsDataInputSPDCake.setBeamCentreInPixelsY(xsDataYBeamCentre)
# if "saving_format" in self.__dictID11:
# xsSaveFormat = XSDataString()
# if self.__dictID11["saving_format"] == "SPREAD SHEET":
# xsSaveFormat.setValue("spr")
# elif self.__dictID11["saving_format"] == "CIF":
# xsSaveFormat.setValue("cif")
# elif self.__dictID11["saving_format"] == "CHIPLOT":
# xsSaveFormat.setValue("chi")
# else:
# xsSaveFormat.setValue("edf")
# xsDataInputSPDCake.setOutputFileType(xsSaveFormat)
if "output_dir" in self.__dictID11:
xsOutputDir = XSDataFile()
xsOutputDir.setPath(XSDataString(self.__dictID11["output_dir"]))
xsDataInputSPDCake.setOutputDir(xsOutputDir)
#Default options to SPD
xsDataInputSPDCake.setOutputFileType(XSDataString("azim"))
xsDataInputSPDCake.setDeleteCorImg(XSDataBoolean(not self.isVerboseDebug()))
xsDataInputSPDCake.setCorrectTiltMask(XSDataBoolean(self.bCorrectMask))
return xsDataInputSPDCake
def from_params(self, data_collection, char_params):
edna_input = XSDataInputMXCuBE.parseString(self.edna_default_input)
if data_collection.id:
edna_input.setDataCollectionId(XSDataInteger(data_collection.id))
#Beam object
beam = edna_input.getExperimentalCondition().getBeam()
try:
transmission = self.collect_obj.get_transmission()
beam.setTransmission(XSDataDouble(transmission))
except AttributeError:
pass
try:
wavelength = self.collect_obj.get_wavelength()
beam.setWavelength(XSDataWavelength(wavelength))
except AttributeError:
pass
try:
beam.setFlux(XSDataFlux(self.collect_obj.get_measured_intensity()))
except AttributeError:
pass
try:
beamsize = self.get_beam_size()
if not None in beamsize:
beam.setSize(
XSDataSize(x=XSDataLength(float(beamsize[0])),
y=XSDataLength(float(beamsize[1]))))
except AttributeError:
pass
#Optimization parameters
diff_plan = edna_input.getDiffractionPlan()
aimed_i_sigma = XSDataDouble(char_params.aimed_i_sigma)
aimed_completness = XSDataDouble(char_params.aimed_completness)
aimed_multiplicity = XSDataDouble(char_params.aimed_multiplicity)
aimed_resolution = XSDataDouble(char_params.aimed_resolution)
complexity = char_params.strategy_complexity
complexity = XSDataString(qme.STRATEGY_COMPLEXITY[complexity])
permitted_phi_start = XSDataAngle(char_params.permitted_phi_start)
_range = char_params.permitted_phi_end - char_params.permitted_phi_start
rotation_range = XSDataAngle(_range)
diff_plan.setAimedIOverSigmaAtHighestResolution(aimed_i_sigma)
diff_plan.setAimedCompleteness(aimed_completness)
if char_params.use_aimed_multiplicity:
diff_plan.setAimedMultiplicity(aimed_multiplicity)
if char_params.use_aimed_resolution:
diff_plan.setAimedResolution(aimed_resolution)
diff_plan.setComplexity(complexity)
if char_params.use_permitted_rotation:
diff_plan.setUserDefinedRotationStart(permitted_phi_start)
diff_plan.setUserDefinedRotationRange(rotation_range)
#Vertical crystal dimension
sample = edna_input.getSample()
sample.getSize().setY(XSDataLength(char_params.max_crystal_vdim))
sample.getSize().setZ(XSDataLength(char_params.min_crystal_vdim))
#Radiation damage model
sample.setSusceptibility(XSDataDouble(char_params.rad_suscept))
sample.setChemicalComposition(None)
sample.setRadiationDamageModelBeta(XSDataDouble(char_params.beta /
1e6))
sample.setRadiationDamageModelGamma(
XSDataDouble(char_params.gamma / 1e6))
diff_plan.setForcedSpaceGroup(XSDataString(char_params.space_group))
# Characterisation type - Routine DC
if char_params.use_min_dose:
pass
if char_params.use_min_time:
time = XSDataTime(char_params.min_time)
diff_plan.setMaxExposureTimePerDataCollection(time)
# Account for radiation damage
if char_params.induce_burn:
diff_plan.setStrategyOption(XSDataString("-DamPar"))
else:
diff_plan.setStrategyOption(None)
# Characterisation type - SAD
if char_params.opt_sad:
diff_plan.setAnomalousData(XSDataBoolean(True))
else:
diff_plan.setAnomalousData(XSDataBoolean(False))
#Data set
data_set = XSDataMXCuBEDataSet()
acquisition_parameters = data_collection.acquisitions[
0].acquisition_parameters
path_template = data_collection.acquisitions[0].path_template
path_str = os.path.join(path_template.directory,
path_template.get_image_file_name())
for img_num in range(int(acquisition_parameters.num_images)):
image_file = XSDataFile()
path = XSDataString()
path.setValue(path_str % (img_num + 1))
image_file.setPath(path)
data_set.addImageFile(image_file)
edna_input.addDataSet(data_set)
edna_input.process_directory = path_template.process_directory
return edna_input
def process(self, _edObject=None):
EDPluginExec.process(self)
EDVerbose.DEBUG("EDPluginExecReadImageHeaderMARCCDv10.process")
xsDataInputReadImageHeader = self.getDataInput()
xsDataFile = xsDataInputReadImageHeader.getImage()
strPath = xsDataFile.getPath().getValue()
dictMARCCDHeader = self.readHeaderMarccd(strPath)
if (dictMARCCDHeader is None):
strErrorMessage = "EDPluginExecReadImageHeaderMARCCDv10.process : Cannot read header : %s" % strPath
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
else:
xsDataExperimentalCondition = XSDataExperimentalCondition()
xsDataDetector = XSDataDetector()
iNoPixelsX = int(dictMARCCDHeader["nslow"])
iNoPixelsY = int(dictMARCCDHeader["nfast"])
xsDataDetector.setNumberPixelX(XSDataInteger(iNoPixelsX))
xsDataDetector.setNumberPixelY(XSDataInteger(iNoPixelsY))
fPixelSizeX = float(dictMARCCDHeader["pixelsize_x"]) / 1000.0
xsDataDetector.setPixelSizeX(XSDataLength(fPixelSizeX))
fPixelSizeY = float(dictMARCCDHeader["pixelsize_y"]) / 1000.0
xsDataDetector.setPixelSizeY(XSDataLength(fPixelSizeY))
fBeamPositionX = float(dictMARCCDHeader["beam_x"]) / 1000.0
fBeamPositionY = float(dictMARCCDHeader["beam_y"]) / 1000.0
# Fix for bug 397 - check if the beam position is close to the centre of the image
fTwoTheta = float(dictMARCCDHeader["end_twotheta"]) / 1000.0
xsDataDetector.setTwoTheta(XSDataAngle(fTwoTheta))
if (abs(fTwoTheta) < 0.1):
if (abs(fBeamPositionX /
(fPixelSizeX / 1000.0) - iNoPixelsX / 2.0) >
(2 * iNoPixelsX)):
fBeamPositionX = fBeamPositionX * fPixelSizeX / 1000.0
fBeamPositionY = fBeamPositionY * fPixelSizeY / 1000.0
xsDataDetector.setBeamPositionX(XSDataLength(fBeamPositionX))
xsDataDetector.setBeamPositionY(XSDataLength(fBeamPositionY))
fDistance = float(dictMARCCDHeader["xtal_to_detector"]) / 1000.0
if (abs(fDistance) < 0.1):
fDistanceStart = float(
dictMARCCDHeader["start_xtal_to_detector"]) / 1000.0
fDistanceEnd = float(
dictMARCCDHeader["end_xtal_to_detector"]) / 1000.0
if (abs(fDistanceStart - fDistanceEnd) < 0.1):
fDistance = fDistanceStart
else:
# Somethings very wrong with the distances...
strErrorMessage = "EDPluginExecReadImageHeaderMARCCDv10.process : Inconsistency in MAR CCD image header: start_xtal_to_detector = %d, end_xtal_to_detector = %d" % \
(fDistanceStart, fDistanceEnd)
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
xsDataDetector.setDistance(XSDataLength(fDistance))
xsDataDetector.setNumberBytesInHeader(
XSDataInteger(float(dictMARCCDHeader["header_size"])))
#xsDataDetector.setSerialNumber( XSDataInteger( dictMARCCDHeader[ "DETECTOR_SN" ] ) ) )
#xsDataDetector.setBin( XSDataString( dictMARCCDHeader[ "BIN" ] ) ) )
#xsDataDetector.setDataType( XSDataString( dictMARCCDHeader[ "TYPE" ] ) ) )
#xsDataDetector.setByteOrder( XSDataString( dictMARCCDHeader[ "BYTE_ORDER" ] ) ) )
xsDataDetector.setImageSaturation(
XSDataInteger(int(dictMARCCDHeader["saturation_level"])))
# Determine type of detector...
if (iNoPixelsX == 2048 and iNoPixelsY == 2048):
xsDataDetector.setName(XSDataString("MAR CCD 165"))
xsDataDetector.setType(XSDataString("mar165"))
elif (iNoPixelsX == 3072 and iNoPixelsY == 3072):
xsDataDetector.setName(XSDataString("MAR CCD 225"))
xsDataDetector.setType(XSDataString("mar225"))
elif (iNoPixelsX == 4096 and iNoPixelsY == 4096):
xsDataDetector.setName(XSDataString("MAR CCD 325"))
xsDataDetector.setType(XSDataString("mar325"))
else:
strErrorMessage = EDMessage.ERROR_DATA_HANDLER_02 % (
"EDPluginExecReadImageHeaderMARCCDv10.process",
"Unknown detector type")
EDVerbose.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
raise RuntimeError, strErrorMessage
xsDataExperimentalCondition.setDetector(xsDataDetector)
# Beam object
xsDataBeam = XSDataBeam()
xsDataBeam.setWavelength(
XSDataWavelength(
float(dictMARCCDHeader["source_wavelength"]) / 100000.0))
xsDataBeam.setExposureTime(
XSDataTime(float(dictMARCCDHeader["exposure_time"]) / 1000.0))
xsDataExperimentalCondition.setBeam(xsDataBeam)
# Goniostat object
xsDataGoniostat = XSDataGoniostat()
fRotationAxisStart = float(dictMARCCDHeader["start_phi"]) / 1000.0
fOscillationWidth = float(
dictMARCCDHeader["rotation_range"]) / 1000.0
xsDataGoniostat.setRotationAxisStart(
XSDataAngle(fRotationAxisStart))
xsDataGoniostat.setRotationAxisEnd(
XSDataAngle(fRotationAxisStart + fOscillationWidth))
xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)
# Create the image object
xsDataImage = XSDataImage()
xsDataImage.setPath(XSDataString(strPath))
strTimeStamp = dictMARCCDHeader["acquire_timestamp"]
xsDataImage.setDate(XSDataString(strTimeStamp))
iImageNumber = EDUtilsImage.getImageNumber(strPath)
xsDataImage.setNumber(XSDataInteger(iImageNumber))
xsDataSubWedge = XSDataSubWedge()
xsDataSubWedge.setExperimentalCondition(
xsDataExperimentalCondition)
xsDataSubWedge.addImage(xsDataImage)
self.__xsDataResultReadImageHeader = XSDataResultReadImageHeader()
self.__xsDataResultReadImageHeader.setSubWedge(xsDataSubWedge)