def getXSDataBestInput(self, _xsDataBeam, _xsDataSample, _xsDataDetector, _xsDataGoniostat, _xsDataDiffractionPlan,
_oedStrBestFileContentDat, _oedStrBestFileContentPar, _oedListBestFileContentHKL):
xsDataBestInput = XSDataBestInput()
# Sample
xdDataAbsorbedDose = None
xsDataSusceptibility = None
# Could be None if sample has not been set
# It could be not None in case Raddose has calculated an absorbed dose with default sample values
if(_xsDataSample is not None):
xdDataAbsorbedDose = _xsDataSample.getAbsorbedDoseRate()
xsDataSusceptibility = _xsDataSample.getSusceptibility()
# Could be None if Raddose failed to calculate the absorbed dose
if(xdDataAbsorbedDose is not None):
xsDataBestInput.setCrystalAbsorbedDoseRate(_xsDataSample.getAbsorbedDoseRate())
xsDataBestInput.setCrystalSusceptibility(xsDataSusceptibility)
# crystalShape
# Default value is 1 (We assume that Xtal is smaller than beam)
xsDataFloatCrystalShape = _xsDataSample.getShape()
if(xsDataFloatCrystalShape is None):
xsDataBestInput.setCrystalShape(XSDataFloat(1))
else:
xsDataBestInput.setCrystalShape(xsDataFloatCrystalShape)
# Detector
xsDataBestInput.setDetectorType(_xsDataDetector.getType())
# Beam
xsDataBestInput.setBeamExposureTime(_xsDataBeam.getExposureTime())
xsDataBestInput.setBeamMinExposureTime(_xsDataBeam.getMinExposureTimePerImage())
# Goniostat
xsDataBestInput.setGoniostatMaxRotationSpeed(_xsDataGoniostat.getMaxOscillationSpeed())
xsDataBestInput.setGoniostatMinRotationWidth(_xsDataGoniostat.getMinOscillationWidth())
# Diffraction plan
xsDataBestInput.setAimedResolution(_xsDataDiffractionPlan.getAimedResolution())
xsDataBestInput.setAimedRedundancy(_xsDataDiffractionPlan.getAimedMultiplicity())
xsDataBestInput.setAimedCompleteness(_xsDataDiffractionPlan.getAimedCompleteness())
xsDataBestInput.setAimedIOverSigma(_xsDataDiffractionPlan.getAimedIOverSigmaAtHighestResolution())
xsDataBestInput.setBeamMaxExposureTime(_xsDataDiffractionPlan.getMaxExposureTimePerDataCollection())
xsDataBestInput.setComplexity(_xsDataDiffractionPlan.getComplexity())
# Best Files
xsDataBestInput.setBestFileContentDat(_oedStrBestFileContentDat)
xsDataBestInput.setBestFileContentPar(_oedStrBestFileContentPar)
xsDataBestInput.setBestFileContentHKL(_oedListBestFileContentHKL)
return xsDataBestInput
def testSetDataModelInput(self):
"""
"""
edPluginBest = self.createPlugin()
xsPluginItemGood01 = self.getPluginConfiguration(
os.path.join(self.strDataPath, "XSConfiguration.xml"))
edPluginBest.setConfiguration(xsPluginItemGood01)
edPluginBest.setScriptExecutable("cat")
edPluginBest.configure()
from XSDataBestv10 import XSDataBestInput
xsDataBestInput = XSDataBestInput()
from XSDataCommon import XSDataAbsorbedDoseRate
from XSDataCommon import XSDataFloat
from XSDataCommon import XSDataString
from XSDataCommon import XSDataTime
from XSDataCommon import XSDataFile
from XSDataCommon import XSDataSpeed
from XSDataCommon import XSDataString
from XSDataCommon import XSDataAngle
xsDataBestInput.setCrystalAbsorbedDoseRate(
XSDataAbsorbedDoseRate(0.22E+06))
xsDataBestInput.setCrystalShape(XSDataFloat(1))
xsDataBestInput.setCrystalSusceptibility(XSDataFloat(1.5))
xsDataBestInput.setDetectorType(XSDataString("q210-2x"))
xsDataBestInput.setBeamExposureTime(XSDataTime(1))
xsDataBestInput.setBeamMaxExposureTime(XSDataTime(10000))
xsDataBestInput.setBeamMinExposureTime(XSDataTime(0.1))
xsDataBestInput.setGoniostatMinRotationWidth(XSDataAngle(0.1))
xsDataBestInput.setGoniostatMaxRotationSpeed(XSDataSpeed(10))
xsDataBestInput.setAimedResolution(XSDataFloat(2))
xsDataBestInput.setAimedRedundancy(XSDataFloat(6.5))
xsDataBestInput.setAimedCompleteness(XSDataFloat(0.9))
xsDataBestInput.setAimedIOverSigma(XSDataFloat(3))
xsDataBestInput.setComplexity(XSDataString("min"))
fileDirectory = edPluginBest.getWorkingDirectory()
bestFileContentDat = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.dat"))
xsDataBestInput.setBestFileContentDat(XSDataString(bestFileContentDat))
bestFileContentPar = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.par"))
xsDataBestInput.setBestFileContentPar(XSDataString(bestFileContentPar))
bestFileContentHKL = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile1.hkl"))
listBestFileContentHKL = []
listBestFileContentHKL.append(XSDataString(bestFileContentHKL))
xsDataBestInput.setBestFileContentHKL(listBestFileContentHKL)
xsDataBestInput.outputFile(self.strObtainedInputFile)
strExpectedInput = self.readAndParseFile(self.strReferenceInputFile)
strObtainedInput = self.readAndParseFile(self.strObtainedInputFile)
xsDataInputExpected = XSDataBestInput.parseString(strExpectedInput)
xsDataInputObtained = XSDataBestInput.parseString(strObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(),
xsDataInputObtained.marshal())
self.cleanUp(edPluginBest)
def testSetDataModelInput(self):
"""
"""
edPluginBest = self.createPlugin()
xsPluginItemGood01 = self.getPluginConfiguration(os.path.join(self.strDataPath, "XSConfiguration.xml"))
edPluginBest.setConfiguration(xsPluginItemGood01)
edPluginBest.setScriptExecutable("cat")
edPluginBest.configure()
from XSDataBestv10 import XSDataBestInput
xsDataBestInput = XSDataBestInput()
from XSDataCommon import XSDataAbsorbedDoseRate
from XSDataCommon import XSDataFloat
from XSDataCommon import XSDataString
from XSDataCommon import XSDataTime
from XSDataCommon import XSDataFile
from XSDataCommon import XSDataSpeed
from XSDataCommon import XSDataString
from XSDataCommon import XSDataAngle
xsDataBestInput.setCrystalAbsorbedDoseRate(XSDataAbsorbedDoseRate(0.22E+06))
xsDataBestInput.setCrystalShape(XSDataFloat(1))
xsDataBestInput.setCrystalSusceptibility(XSDataFloat(1.5))
xsDataBestInput.setDetectorType(XSDataString("q210-2x"))
xsDataBestInput.setBeamExposureTime(XSDataTime(1))
xsDataBestInput.setBeamMaxExposureTime(XSDataTime(10000))
xsDataBestInput.setBeamMinExposureTime(XSDataTime(0.1))
xsDataBestInput.setGoniostatMinRotationWidth(XSDataAngle(0.1))
xsDataBestInput.setGoniostatMaxRotationSpeed(XSDataSpeed(10))
xsDataBestInput.setAimedResolution(XSDataFloat(2))
xsDataBestInput.setAimedRedundancy(XSDataFloat(6.5))
xsDataBestInput.setAimedCompleteness(XSDataFloat(0.9))
xsDataBestInput.setAimedIOverSigma(XSDataFloat(3))
xsDataBestInput.setComplexity(XSDataString("min"))
fileDirectory = edPluginBest.getWorkingDirectory()
bestFileContentDat = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile.dat"))
xsDataBestInput.setBestFileContentDat(XSDataString(bestFileContentDat))
bestFileContentPar = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile.par"))
xsDataBestInput.setBestFileContentPar(XSDataString(bestFileContentPar))
bestFileContentHKL = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile1.hkl"))
listBestFileContentHKL = []
listBestFileContentHKL.append(XSDataString(bestFileContentHKL))
xsDataBestInput.setBestFileContentHKL(listBestFileContentHKL)
xsDataBestInput.outputFile(self.strObtainedInputFile)
strExpectedInput = self.readAndParseFile (self.strReferenceInputFile)
strObtainedInput = self.readAndParseFile (self.strObtainedInputFile)
xsDataInputExpected = XSDataBestInput.parseString(strExpectedInput)
xsDataInputObtained = XSDataBestInput.parseString(strObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(), xsDataInputObtained.marshal())
self.cleanUp(edPluginBest)
