def testSetDataModelInput(self):
"""
A test for whether we can obtain the expected XML by setting a certain input for the plugin.
"""
edPluginISPyB = self.createPlugin()
xsPluginItemISPyB = self.getPluginConfiguration(os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml"))
edPluginISPyB.setConfiguration(xsPluginItemISPyB)
edPluginISPyB.configure()
# Create XSDataISPyB objects
xsDataISPyBImage = XSDataISPyBImage()
xsDataISPyBImage.setFileName(XSDataString("test.img"))
xsDataISPyBImage.setFileLocation(XSDataString("/tmp"))
xsDataISPyBScreening = XSDataISPyBScreening()
xsDataISPyBScreening.setProgramVersion(XSDataString("EDNA Prototype"))
xsDataISPyBScreeningInput = XSDataISPyBScreeningInput()
xsDataISPyBScreeningInput.setBeamX(XSDataDouble(10.4))
xsDataISPyBScreeningInput.setBeamY(XSDataDouble(2.31))
xsDataISPyBScreeningInput.setRmsErrorLimits(XSDataDouble(0.8))
xsDataISPyBScreeningInput.setMinimumFractionIndexed(XSDataDouble(0.4))
xsDataISPyBScreeningInput.setMaximumFractionRejected(XSDataDouble(0.45))
xsDataISPyBScreeningInput.setMinimumSignalToNoise(XSDataDouble(0.56))
xsDataISPyBScreeningOutput = XSDataISPyBScreeningOutput()
xsDataISPyBScreeningOutput.setStatusDescription(XSDataString("It's just fine."))
xsDataISPyBScreeningOutput.setMosaicity(XSDataDouble(0.25))
xsDataISPyBScreeningOutput.setBeamShiftX(XSDataDouble (0.141))
xsDataISPyBScreeningOutput.setBeamShiftY(XSDataDouble (0.156))
xsDataISPyBScreeningOutputLattice = XSDataISPyBScreeningOutputLattice()
xsDataISPyBScreeningOutputLattice.setSpaceGroup(XSDataString("P222"))
xsDataISPyBScreeningStrategy = XSDataISPyBScreeningStrategy()
xsDataISPyBScreeningStrategy.setPhiStart(XSDataDouble(0))
xsDataISPyBScreeningStrategy.setPhiEnd(XSDataDouble(20))
xsDataISPyBScreeningStrategy.setRotation(XSDataDouble(1))
xsDataISPyBScreeningStrategy.setProgram(XSDataString("EDNA"))
xsDataISPyBScreeningStrategy.setAnomalous(XSDataBoolean(1))
xsDataISPyBScreeningStrategyWedge = XSDataISPyBScreeningStrategyWedge()
xsDataISPyBScreeningStrategyWedge.setWedgeNumber(XSDataInteger(1))
xsDataISPyBScreeningStrategyWedge.setResolution(XSDataDouble(2.1))
xsDataISPyBScreeningStrategyWedge.setCompleteness(XSDataDouble(90))
xsDataISPyBScreeningStrategyWedge.setMultiplicity(XSDataDouble(1.5))
xsDataISPyBScreeningStrategyWedge.setDoseTotal(XSDataDouble(40.5))
xsDataISPyBScreeningStrategyWedge.setNumberOfImages(XSDataInteger(130))
xsDataISPyBScreeningStrategySubWedge = XSDataISPyBScreeningStrategySubWedge()
xsDataISPyBScreeningStrategySubWedge.setSubWedgeNumber(XSDataInteger(1))
xsDataISPyBScreeningStrategySubWedge.setRotationAxis(XSDataString("Omega"))
xsDataISPyBScreeningStrategySubWedge.setAxisStart(XSDataDouble(0.0))
xsDataISPyBScreeningStrategySubWedge.setAxisEnd(XSDataDouble(90.0))
xsDataISPyBScreeningStrategySubWedge.setExposureTime(XSDataDouble(0.5))
xsDataISPyBScreeningStrategySubWedge.setTransmission(XSDataDouble(100.0))
xsDataISPyBScreeningStrategySubWedge.setNumberOfImages(XSDataInteger(130))
xsDataISPyBScreeningStrategyWedgeContainer = XSDataISPyBScreeningStrategyWedgeContainer()
xsDataISPyBScreeningStrategyWedgeContainer.setScreeningStrategyWedge(xsDataISPyBScreeningStrategyWedge)
xsDataISPyBScreeningStrategyWedgeContainer.getScreeningStrategySubWedge().append(xsDataISPyBScreeningStrategySubWedge)
xsDataISPyBScreeningStrategyContainer = XSDataISPyBScreeningStrategyContainer()
xsDataISPyBScreeningStrategyContainer.setScreeningStrategy(xsDataISPyBScreeningStrategy)
xsDataISPyBScreeningStrategyContainer.getScreeningStrategyWedgeContainer().append(xsDataISPyBScreeningStrategyWedgeContainer)
xsDataISPyBScreeningOutputContainer = XSDataISPyBScreeningOutputContainer()
xsDataISPyBScreeningOutputContainer.setScreeningOutput(xsDataISPyBScreeningOutput)
xsDataISPyBScreeningOutputContainer.getScreeningOutputLattice().append(xsDataISPyBScreeningOutputLattice)
xsDataISPyBScreeningOutputContainer.getScreeningStrategyContainer().append(xsDataISPyBScreeningStrategyContainer)
xsDataISPyBScreeningRank = XSDataISPyBScreeningRank()
xsDataISPyBScreeningRank.setRankValue(XSDataDouble(1.4))
xsDataISPyBScreeningRank.setRankInformation(XSDataString("This is the only one"))
xsDataISPyBScreeningRankSet = XSDataISPyBScreeningRankSet()
xsDataISPyBScreeningRankSet.setRankEngine(XSDataString("ISPyB"))
xsDataISPyBScreeningFile = XSDataISPyBScreeningFile()
xsDataISPyBScreeningFile.setFileType(XSDataString("log"))
xsDataISPyBScreeningFile.setDescription(XSDataString("Output log file"))
# Write XSDataISPyB objects to files
xsDataISPyBScreening.outputFile(self.__strObtainedScreening)
xsDataISPyBScreeningInput.outputFile(self.__strObtainedScreeningInput)
xsDataISPyBScreeningOutputContainer.outputFile(self.__strObtainedScreeningOutputContainer)
xsDataISPyBScreeningRank.outputFile(self.__strObtainedScreeningRank)
xsDataISPyBScreeningRankSet.outputFile(self.__strObtainedScreeningRankSet)
xsDataISPyBScreeningFile.outputFile(self.__strObtainedScreeningFile)
# Compare screening
strInputScreeningExpected = self.readAndParseFile(self.__strReferenceInputScreening)
xsDataScreeningExpected = XSDataInputISPyB.parseString(strInputScreeningExpected)
strXMLScreeningExpected = xsDataScreeningExpected.marshal()
strScreeningObtained = self.readAndParseFile(self.__strObtainedScreening)
xsDataScreeningObtained = XSDataInputISPyB.parseString(strScreeningObtained)
strXMLScreeningObtained = xsDataScreeningObtained.marshal()
EDAssert.equal(strXMLScreeningExpected, strXMLScreeningObtained)
#Compare screeningInput
strInputScreeningInputExpected = self.readAndParseFile(self.__strReferenceInputScreeningInput)
xsDataScreeningInputExpected = XSDataInputISPyB.parseString(strInputScreeningInputExpected)
strXMLScreeningInputExpected = xsDataScreeningInputExpected.marshal()
strScreeningInputObtained = self.readAndParseFile(self.__strObtainedScreeningInput)
xsDataScreeningInputObtained = XSDataInputISPyB.parseString(strScreeningInputObtained)
strXMLScreeningInputObtained = xsDataScreeningInputObtained.marshal()
EDAssert.equal(strXMLScreeningInputExpected, strXMLScreeningInputObtained)
#Compare screeningOutputContainer
strInputScreeningOutputContainerExpected = self.readAndParseFile(self.__strReferenceInputScreeningOutputContainer)
xsDataScreeningOutputContainerExpected = XSDataInputISPyB.parseString(strInputScreeningOutputContainerExpected)
strXMLScreeningOutputContainerExpected = xsDataScreeningOutputContainerExpected.marshal()
strScreeningOutputContainerObtained = self.readAndParseFile(self.__strObtainedScreeningOutputContainer)
xsDataScreeningOutputContainerObtained = XSDataInputISPyB.parseString(strScreeningOutputContainerObtained)
strXMLScreeningOutputContainerObtained = xsDataScreeningOutputContainerObtained.marshal()
EDAssert.equal(strXMLScreeningOutputContainerExpected, strXMLScreeningOutputContainerObtained)
#Compare screeningRank
strInputScreeningRankExpected = self.readAndParseFile(self.__strReferenceInputScreeningRank)
xsDataScreeningRankExpected = XSDataInputISPyB.parseString(strInputScreeningRankExpected)
strXMLScreeningRankExpected = xsDataScreeningRankExpected.marshal()
strScreeningRankObtained = self.readAndParseFile(self.__strObtainedScreeningRank)
xsDataScreeningRankObtained = XSDataInputISPyB.parseString(strScreeningRankObtained)
strXMLScreeningRankObtained = xsDataScreeningRankObtained.marshal()
EDAssert.equal(strXMLScreeningRankExpected, strXMLScreeningRankObtained)
#Compare screeningRankSet
strInputScreeningRankSetExpected = self.readAndParseFile(self.__strReferenceInputScreeningRankSet)
xsDataScreeningRankSetExpected = XSDataInputISPyB.parseString(strInputScreeningRankSetExpected)
strXMLScreeningRankSetExpected = xsDataScreeningRankSetExpected.marshal()
strScreeningRankSetObtained = self.readAndParseFile(self.__strObtainedScreeningRankSet)
xsDataScreeningRankSetObtained = XSDataInputISPyB.parseString(strScreeningRankSetObtained)
strXMLScreeningRankSetObtained = xsDataScreeningRankSetObtained.marshal()
EDAssert.equal(strXMLScreeningRankSetExpected, strXMLScreeningRankSetObtained)
#Compare screeningFile
strInputScreeningFileExpected = self.readAndParseFile(self.__strReferenceInputScreeningFile)
xsDataScreeningFileExpected = XSDataInputISPyB.parseString(strInputScreeningFileExpected)
strXMLScreeningFileExpected = xsDataScreeningFileExpected.marshal()
strScreeningFileObtained = self.readAndParseFile(self.__strObtainedScreeningFile)
xsDataScreeningFileObtained = XSDataInputISPyB.parseString(strScreeningFileObtained)
strXMLScreeningFileObtained = xsDataScreeningFileObtained.marshal()
EDAssert.equal(strXMLScreeningFileExpected, strXMLScreeningFileObtained)
self.cleanUp(edPluginISPyB)
def generateXSDataISPyBScreeningOutputContainer(_xsDataInputControlISPyB, _strStatusMessage=None):
"""
"""
EDFactoryPluginStatic.loadModule("XSDataISPyBv1_2")
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutputContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutput
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutputLattice
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyWedgeContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategy
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyWedge
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategySubWedge
from XSDataISPyBv1_2 import XSDataDouble
from XSDataISPyBv1_2 import XSDataInteger
from XSDataISPyBv1_2 import XSDataBoolean
from XSDataISPyBv1_2 import XSDataString
import math
EDFactoryPluginStatic.loadModule("EDHandlerXSDataCommon") # Needed for getting kappa and phi
from EDHandlerXSDataCommon import EDHandlerXSDataCommon #
xsDataISPyBScreeningOutputContainer = XSDataISPyBScreeningOutputContainer()
xsDataISPyBScreeningOutput = XSDataISPyBScreeningOutput()
xsDataISPyBScreeningOutputContainer.setScreeningOutput(xsDataISPyBScreeningOutput)
xsDataResultCharacterisationv2_0 = _xsDataInputControlISPyB.getCharacterisationResult()
xsDataResultCharacterisation = xsDataResultCharacterisationv2_0.getMxv1ResultCharacterisation()
xsDataResultStrategySuggested = xsDataResultCharacterisationv2_0.getSuggestedStrategy()
# Determine whether anomalous data:
bAnomalousData = None
#xsDataCollection = xsDataResultCharacterisation.getDataCollection()
xsDataCollection = EDHandlerXSDataISPyBv2_0.getDataCollectionFromSuggestedStrategy(xsDataResultCharacterisationv2_0)
if (xsDataCollection is not None):
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
if (xsDataDiffractionPlan is not None):
if (xsDataDiffractionPlan.getAnomalousData() is not None):
bAnomalousData = xsDataDiffractionPlan.getAnomalousData().getValue()
# Indexing information (populate xsDataISPyBScreeningOutputContainer, xsDataIPSyBScreeningOutput and xsDataISPyBScreeningOutputLattice)
bSuccessfulIndexing = False
xsDataIndexingResult = xsDataResultCharacterisation.getIndexingResult()
if (xsDataIndexingResult is not None):
xsDataIndexingSolutionSelected = xsDataIndexingResult.getSelectedSolution()
if (xsDataIndexingSolutionSelected is not None):
bSuccessfulIndexing = True
xsDataStatisticsIndexing = xsDataIndexingSolutionSelected.getStatistics()
if (xsDataStatisticsIndexing is not None):
fBeamPositionShiftX = xsDataStatisticsIndexing.getBeamPositionShiftX().getValue()
fBeamPositionShiftY = xsDataStatisticsIndexing.getBeamPositionShiftY().getValue()
xsDataISPyBScreeningOutput.setBeamShiftX(XSDataDouble(fBeamPositionShiftX))
xsDataISPyBScreeningOutput.setBeamShiftY(XSDataDouble(fBeamPositionShiftY))
fSpotDeviationAngular = xsDataStatisticsIndexing.getSpotDeviationAngular().getValue()
fSpotDeviationPositional = xsDataStatisticsIndexing.getSpotDeviationPositional().getValue()
xsDataISPyBScreeningOutput.setSpotDeviationR(XSDataDouble(fSpotDeviationPositional))
xsDataISPyBScreeningOutput.setSpotDeviationTheta(XSDataDouble(fSpotDeviationAngular))
if ((xsDataStatisticsIndexing.getSpotsTotal() is not None) and (xsDataStatisticsIndexing.getSpotsUsed is not None)):
iSpotsTotal = xsDataStatisticsIndexing.getSpotsTotal().getValue()
iSpotsUsed = xsDataStatisticsIndexing.getSpotsUsed().getValue()
xsDataISPyBScreeningOutput.setNumSpotsFound(XSDataInteger(iSpotsTotal))
xsDataISPyBScreeningOutput.setNumSpotsUsed(XSDataInteger(iSpotsUsed))
xsDataISPyBScreeningOutput.setNumSpotsRejected(XSDataInteger(iSpotsTotal - iSpotsUsed))
xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
xsDataISPyBScreeningOutput.setMosaicityEstimated(XSDataBoolean(False))
if (xsDataCrystal is not None):
if (xsDataCrystal.getMosaicity() is not None):
fMosaicity = xsDataCrystal.getMosaicity().getValue()
xsDataISPyBScreeningOutput.setMosaicity(XSDataDouble(fMosaicity))
xsDataISPyBScreeningOutput.setMosaicityEstimated(XSDataBoolean(True))
xsDataCell = xsDataCrystal.getCell()
if (xsDataCell is not None):
fLength_a = xsDataCell.getLength_a().getValue()
fLength_b = xsDataCell.getLength_b().getValue()
fLength_c = xsDataCell.getLength_c().getValue()
fAngle_alpha = xsDataCell.getAngle_alpha().getValue()
fAngle_beta = xsDataCell.getAngle_beta().getValue()
fAngle_gamma = xsDataCell.getAngle_gamma().getValue()
xsDataISPyBScreeningOutputLattice = XSDataISPyBScreeningOutputLattice()
xsDataISPyBScreeningOutputContainer.getScreeningOutputLattice().append(xsDataISPyBScreeningOutputLattice)
xsDataISPyBScreeningOutputLattice.setUnitCell_a(XSDataDouble(fLength_a))
xsDataISPyBScreeningOutputLattice.setUnitCell_b(XSDataDouble(fLength_b))
xsDataISPyBScreeningOutputLattice.setUnitCell_c(XSDataDouble(fLength_c))
xsDataISPyBScreeningOutputLattice.setUnitCell_alpha(XSDataDouble(fAngle_alpha))
xsDataISPyBScreeningOutputLattice.setUnitCell_beta(XSDataDouble(fAngle_beta))
xsDataISPyBScreeningOutputLattice.setUnitCell_gamma(XSDataDouble(fAngle_gamma))
xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
if (xsDataSpaceGroup is not None):
pyStrSpaceGroupName = xsDataSpaceGroup.getName().getValue()
xsDataISPyBScreeningOutputLattice.setSpaceGroup(XSDataString(pyStrSpaceGroupName))
if (bSuccessfulIndexing):
if _strStatusMessage == None:
xsDataISPyBScreeningOutput.setStatusDescription(XSDataString("Indexing successful"))
else:
xsDataISPyBScreeningOutput.setStatusDescription(XSDataString(_strStatusMessage))
xsDataISPyBScreeningOutput.setScreeningSuccess(XSDataBoolean(True))
else:
if _strStatusMessage == None:
xsDataISPyBScreeningOutput.setStatusDescription(XSDataString("Indexing failed"))
else:
xsDataISPyBScreeningOutput.setStatusDescription(XSDataString(_strStatusMessage))
xsDataISPyBScreeningOutput.setScreeningSuccess(XSDataBoolean(False))
# Strategy information (populate xsDataISPyBScreeningStrategyContainer, xsDataISPyBScreeningStrategyWedge, xsDataISPyBScreeningStrategySubWedge)
xsDataResultStrategy = xsDataResultStrategySuggested # xsDataResultCharacterisation.getStrategyResult()
xsDataISPyBScreeningStrategyContainer = XSDataISPyBScreeningStrategyContainer()
xsDataISPyBScreeningStrategy = XSDataISPyBScreeningStrategy()
xsDataISPyBScreeningStrategyContainer.setScreeningStrategy(xsDataISPyBScreeningStrategy)
xsDataISPyBScreeningOutputContainer.getScreeningStrategyContainer().append(xsDataISPyBScreeningStrategyContainer)
fAccumulatedExposureTime = 0.0
if (bAnomalousData is not None):
xsDataISPyBScreeningStrategy.setAnomalous(XSDataBoolean(bAnomalousData))
else:
xsDataISPyBScreeningStrategy.setAnomalous(XSDataBoolean(False))
xsDataISPyBScreeningStrategy.setProgram(XSDataString("STAC"))
if (xsDataResultStrategy is not None):
lXSDataCollectionPlan = xsDataResultStrategy.getCollectionPlan()
if (lXSDataCollectionPlan is not None):
for xsDataCollectionPlan in lXSDataCollectionPlan:
iCollectionPlanNumber = xsDataCollectionPlan.getCollectionPlanNumber().getValue()
#strCollectionPlanComment = None
#if (xsDataCollectionPlan.getComment() is not None):
# strCollectionPlanComment = xsDataCollectionPlan.getComment().getValue()
fCompleteness = None
fMultiplicity = None
fResolution = None
fRankingResolution = None
fTransmission = None
iWedgeNumberOfImages = 0
fWedgeDoseTotal = 0.0
xsDataStrategySummary = xsDataCollectionPlan.getStrategySummary()
if (xsDataStrategySummary is not None):
if (xsDataStrategySummary.getCompleteness() is not None):
fCompleteness = xsDataStrategySummary.getCompleteness().getValue()
if (xsDataStrategySummary.getRedundancy() is not None):
fMultiplicity = xsDataStrategySummary.getRedundancy().getValue()
if (xsDataStrategySummary.getResolution() is not None):
fResolution = xsDataStrategySummary.getResolution().getValue()
if (xsDataStrategySummary.getRankingResolution() is not None):
fRankingResolution = xsDataStrategySummary.getRankingResolution().getValue()
xsDataISPyBScreeningStrategy.setRankingResolution(XSDataDouble(fRankingResolution))
xsDataISPyBScreeningStrategyWedgeContainer = XSDataISPyBScreeningStrategyWedgeContainer()
xsDataISPyBScreeningStrategyWedge = XSDataISPyBScreeningStrategyWedge()
xsDataISPyBScreeningStrategyWedgeContainer.setScreeningStrategyWedge(xsDataISPyBScreeningStrategyWedge)
xsDataISPyBScreeningStrategyContainer.getScreeningStrategyWedgeContainer().append(xsDataISPyBScreeningStrategyWedgeContainer)
xsDataISPyBScreeningStrategyWedge.setWedgeNumber(XSDataInteger(iCollectionPlanNumber))
xsDataISPyBScreeningStrategyWedge.setCompleteness(XSDataDouble(fCompleteness))
xsDataISPyBScreeningStrategyWedge.setMultiplicity(XSDataDouble(fMultiplicity))
xsDataISPyBScreeningStrategyWedge.setResolution(XSDataDouble(fResolution))
# Find kappa and phi
xsDataStringComment = xsDataCollectionPlan.getComment()
xsDataDoubleOmega = EDHandlerXSDataCommon.getElements(xsDataStringComment, "OMEGA=")
xsDataDoubleKappa = EDHandlerXSDataCommon.getElements(xsDataStringComment, "KAPPA=")
xsDataDoublePhi = EDHandlerXSDataCommon.getElements(xsDataStringComment, "PHI=")
xsDataISPyBScreeningStrategyWedge.setKappa(xsDataDoubleKappa)
xsDataISPyBScreeningStrategyWedge.setPhi(xsDataDoublePhi)
xsDataCollectionStrategy = xsDataCollectionPlan.getCollectionStrategy()
if (xsDataCollectionStrategy is not None):
lXSDataSubWedge = xsDataCollectionStrategy.getSubWedge()
if (lXSDataSubWedge is not None):
for xsDataSubWedge in lXSDataSubWedge:
iSubWedgeNumber = xsDataSubWedge.getSubWedgeNumber().getValue()
fPhiStart = xsDataSubWedge.getExperimentalCondition().getGoniostat().getRotationAxisStart().getValue()
fPhiEnd = xsDataSubWedge.getExperimentalCondition().getGoniostat().getRotationAxisEnd().getValue()
fRotation = xsDataSubWedge.getExperimentalCondition().getGoniostat().getOscillationWidth().getValue()
fExposureTime = xsDataSubWedge.getExperimentalCondition().getBeam().getExposureTime().getValue()
fAccumulatedExposureTime += fExposureTime
xsDataDoubleTransmission = xsDataSubWedge.getExperimentalCondition().getBeam().getTransmission()
if (xsDataDoubleTransmission is not None):
fTransmission = xsDataDoubleTransmission.getValue()
else:
fTransmission = None
if (not xsDataSubWedge.getExperimentalCondition().getBeam().getFlux() is None):
fFlux = xsDataSubWedge.getExperimentalCondition().getBeam().getFlux().getValue()
else:
fFlux = None
iNumberOfImages = int(math.ceil((fPhiEnd - fPhiStart) / fRotation))
xsDataISPyBScreeningStrategySubWedge = XSDataISPyBScreeningStrategySubWedge()
xsDataISPyBScreeningStrategyWedgeContainer.getScreeningStrategySubWedge().append(xsDataISPyBScreeningStrategySubWedge)
xsDataISPyBScreeningStrategySubWedge.setSubWedgeNumber(XSDataInteger(iSubWedgeNumber))
xsDataISPyBScreeningStrategySubWedge.setAxisStart(XSDataDouble(fPhiStart))
xsDataISPyBScreeningStrategySubWedge.setAxisEnd(XSDataDouble(fPhiEnd))
xsDataISPyBScreeningStrategySubWedge.setRotationAxis(XSDataString("Omega"))
xsDataISPyBScreeningStrategySubWedge.setOscillationRange(XSDataDouble(fRotation))
xsDataISPyBScreeningStrategySubWedge.setExposureTime(XSDataDouble(fExposureTime))
if (fTransmission is not None):
xsDataISPyBScreeningStrategySubWedge.setTransmission(XSDataDouble(fTransmission))
xsDataISPyBScreeningStrategySubWedge.setNumberOfImages(XSDataInteger(iNumberOfImages))
iWedgeNumberOfImages += iNumberOfImages
if (fFlux is not None):
xsDataISPyBScreeningStrategySubWedge.setDoseTotal(XSDataDouble(fFlux))
fWedgeDoseTotal += fFlux
if (fCompleteness is not None):
xsDataISPyBScreeningStrategySubWedge.setCompleteness(XSDataDouble(fCompleteness))
if (fMultiplicity is not None):
xsDataISPyBScreeningStrategySubWedge.setMultiplicity(XSDataDouble(fMultiplicity))
if (fResolution is not None):
xsDataISPyBScreeningStrategySubWedge.setResolution(XSDataDouble(fResolution))
xsDataISPyBScreeningStrategyWedge.setNumberOfImages(XSDataInteger(iWedgeNumberOfImages))
xsDataISPyBScreeningStrategyWedge.setDoseTotal(XSDataDouble(fWedgeDoseTotal))
xsDataISPyBScreeningStrategy.setExposureTime(XSDataDouble(fAccumulatedExposureTime))
return xsDataISPyBScreeningOutputContainer
def generateXSDataISPyBScreeningOutputContainer(_xsDataInputControlISPyB,
_strStatusMessage=None):
"""
"""
EDFactoryPluginStatic.loadModule("XSDataISPyBv1_2")
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutputContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutput
from XSDataISPyBv1_2 import XSDataISPyBScreeningOutputLattice
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyWedgeContainer
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategy
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategyWedge
from XSDataISPyBv1_2 import XSDataISPyBScreeningStrategySubWedge
from XSDataISPyBv1_2 import XSDataDouble
from XSDataISPyBv1_2 import XSDataInteger
from XSDataISPyBv1_2 import XSDataBoolean
from XSDataISPyBv1_2 import XSDataString
import math
xsDataISPyBScreeningOutputContainer = XSDataISPyBScreeningOutputContainer(
)
xsDataISPyBScreeningOutput = XSDataISPyBScreeningOutput()
xsDataISPyBScreeningOutputContainer.setScreeningOutput(
xsDataISPyBScreeningOutput)
xsDataResultCharacterisation = _xsDataInputControlISPyB.getCharacterisationResult(
)
# Determine whether anomalous data:
bAnomalousData = None
xsDataCollection = xsDataResultCharacterisation.getDataCollection()
if (xsDataCollection is not None):
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
if (xsDataDiffractionPlan is not None):
if (xsDataDiffractionPlan.getAnomalousData() is not None):
bAnomalousData = xsDataDiffractionPlan.getAnomalousData(
).getValue()
# Indexing information (populate xsDataISPyBScreeningOutputContainer, xsDataIPSyBScreeningOutput and xsDataISPyBScreeningOutputLattice)
bSuccessfulIndexing = False
xsDataIndexingResult = xsDataResultCharacterisation.getIndexingResult()
if (xsDataIndexingResult is not None):
xsDataIndexingSolutionSelected = xsDataIndexingResult.getSelectedSolution(
)
if (xsDataIndexingSolutionSelected is not None):
bSuccessfulIndexing = True
xsDataStatisticsIndexing = xsDataIndexingSolutionSelected.getStatistics(
)
if (xsDataStatisticsIndexing is not None):
fBeamPositionShiftX = xsDataStatisticsIndexing.getBeamPositionShiftX(
).getValue()
fBeamPositionShiftY = xsDataStatisticsIndexing.getBeamPositionShiftY(
).getValue()
xsDataISPyBScreeningOutput.setBeamShiftX(
XSDataDouble(fBeamPositionShiftX))
xsDataISPyBScreeningOutput.setBeamShiftY(
XSDataDouble(fBeamPositionShiftY))
if xsDataStatisticsIndexing.getSpotDeviationAngular(
) is not None:
fSpotDeviationAngular = xsDataStatisticsIndexing.getSpotDeviationAngular(
).getValue()
xsDataISPyBScreeningOutput.setSpotDeviationTheta(
XSDataDouble(fSpotDeviationAngular))
if xsDataStatisticsIndexing.getSpotDeviationPositional(
) is not None:
fSpotDeviationPositional = xsDataStatisticsIndexing.getSpotDeviationPositional(
).getValue()
xsDataISPyBScreeningOutput.setSpotDeviationR(
XSDataDouble(fSpotDeviationPositional))
if ((xsDataStatisticsIndexing.getSpotsTotal() is not None)
and
(xsDataStatisticsIndexing.getSpotsUsed is not None)):
iSpotsTotal = xsDataStatisticsIndexing.getSpotsTotal(
).getValue()
iSpotsUsed = xsDataStatisticsIndexing.getSpotsUsed(
).getValue()
xsDataISPyBScreeningOutput.setNumSpotsFound(
XSDataInteger(iSpotsTotal))
xsDataISPyBScreeningOutput.setNumSpotsUsed(
XSDataInteger(iSpotsUsed))
xsDataISPyBScreeningOutput.setNumSpotsRejected(
XSDataInteger(iSpotsTotal - iSpotsUsed))
xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
xsDataISPyBScreeningOutput.setMosaicityEstimated(
XSDataBoolean(False))
if (xsDataCrystal is not None):
if (xsDataCrystal.getMosaicity() is not None):
fMosaicity = xsDataCrystal.getMosaicity().getValue()
xsDataISPyBScreeningOutput.setMosaicity(
XSDataDouble(fMosaicity))
xsDataISPyBScreeningOutput.setMosaicityEstimated(
XSDataBoolean(True))
xsDataCell = xsDataCrystal.getCell()
if (xsDataCell is not None):
fLength_a = xsDataCell.getLength_a().getValue()
fLength_b = xsDataCell.getLength_b().getValue()
fLength_c = xsDataCell.getLength_c().getValue()
fAngle_alpha = xsDataCell.getAngle_alpha().getValue()
fAngle_beta = xsDataCell.getAngle_beta().getValue()
fAngle_gamma = xsDataCell.getAngle_gamma().getValue()
xsDataISPyBScreeningOutputLattice = XSDataISPyBScreeningOutputLattice(
)
xsDataISPyBScreeningOutputContainer.getScreeningOutputLattice(
).append(xsDataISPyBScreeningOutputLattice)
xsDataISPyBScreeningOutputLattice.setUnitCell_a(
XSDataDouble(fLength_a))
xsDataISPyBScreeningOutputLattice.setUnitCell_b(
XSDataDouble(fLength_b))
xsDataISPyBScreeningOutputLattice.setUnitCell_c(
XSDataDouble(fLength_c))
xsDataISPyBScreeningOutputLattice.setUnitCell_alpha(
XSDataDouble(fAngle_alpha))
xsDataISPyBScreeningOutputLattice.setUnitCell_beta(
XSDataDouble(fAngle_beta))
xsDataISPyBScreeningOutputLattice.setUnitCell_gamma(
XSDataDouble(fAngle_gamma))
xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
if (xsDataSpaceGroup is not None):
pyStrSpaceGroupName = xsDataSpaceGroup.getName(
).getValue()
xsDataISPyBScreeningOutputLattice.setSpaceGroup(
XSDataString(pyStrSpaceGroupName))
if (bSuccessfulIndexing):
if _strStatusMessage == None:
xsDataISPyBScreeningOutput.setStatusDescription(
XSDataString("Indexing successful"))
else:
xsDataISPyBScreeningOutput.setStatusDescription(
XSDataString(_strStatusMessage))
xsDataISPyBScreeningOutput.setScreeningSuccess(XSDataBoolean(True))
else:
if _strStatusMessage == None:
xsDataISPyBScreeningOutput.setStatusDescription(
XSDataString("Indexing failed"))
else:
xsDataISPyBScreeningOutput.setStatusDescription(
XSDataString(_strStatusMessage))
xsDataISPyBScreeningOutput.setScreeningSuccess(
XSDataBoolean(False))
# Strategy information (populate xsDataISPyBScreeningStrategyContainer, xsDataISPyBScreeningStrategyWedge, xsDataISPyBScreeningStrategySubWedge)
xsDataResultStrategy = xsDataResultCharacterisation.getStrategyResult()
xsDataISPyBScreeningStrategyContainer = XSDataISPyBScreeningStrategyContainer(
)
xsDataISPyBScreeningStrategy = XSDataISPyBScreeningStrategy()
xsDataISPyBScreeningStrategyContainer.setScreeningStrategy(
xsDataISPyBScreeningStrategy)
xsDataISPyBScreeningOutputContainer.getScreeningStrategyContainer(
).append(xsDataISPyBScreeningStrategyContainer)
fAccumulatedExposureTime = 0.0
if (bAnomalousData is not None):
xsDataISPyBScreeningStrategy.setAnomalous(
XSDataBoolean(bAnomalousData))
else:
xsDataISPyBScreeningStrategy.setAnomalous(XSDataBoolean(False))
xsDataISPyBScreeningStrategy.setProgram(XSDataString("BEST"))
if (xsDataResultStrategy is not None):
lXSDataCollectionPlan = xsDataResultStrategy.getCollectionPlan()
if (lXSDataCollectionPlan is not None):
for xsDataCollectionPlan in lXSDataCollectionPlan:
iCollectionPlanNumber = xsDataCollectionPlan.getCollectionPlanNumber(
).getValue()
#strCollectionPlanComment = None
#if (xsDataCollectionPlan.getComment() is not None):
# strCollectionPlanComment = xsDataCollectionPlan.getComment().getValue()
fCompleteness = None
fMultiplicity = None
fResolution = None
fRankingResolution = None
fTransmission = None
iWedgeNumberOfImages = 0
fWedgeDoseTotal = 0.0
xsDataStrategySummary = xsDataCollectionPlan.getStrategySummary(
)
if (xsDataStrategySummary is not None):
if (xsDataStrategySummary.getCompleteness()
is not None):
fCompleteness = xsDataStrategySummary.getCompleteness(
).getValue()
if (xsDataStrategySummary.getRedundancy() is not None):
fMultiplicity = xsDataStrategySummary.getRedundancy(
).getValue()
if (xsDataStrategySummary.getResolution() is not None):
fResolution = xsDataStrategySummary.getResolution(
).getValue()
if (xsDataStrategySummary.getRankingResolution()
is not None):
fRankingResolution = xsDataStrategySummary.getRankingResolution(
).getValue()
xsDataISPyBScreeningStrategy.setRankingResolution(
XSDataDouble(fRankingResolution))
xsDataISPyBScreeningStrategyWedgeContainer = XSDataISPyBScreeningStrategyWedgeContainer(
)
xsDataISPyBScreeningStrategyWedge = XSDataISPyBScreeningStrategyWedge(
)
xsDataISPyBScreeningStrategyWedgeContainer.setScreeningStrategyWedge(
xsDataISPyBScreeningStrategyWedge)
xsDataISPyBScreeningStrategyContainer.getScreeningStrategyWedgeContainer(
).append(xsDataISPyBScreeningStrategyWedgeContainer)
xsDataISPyBScreeningStrategyWedge.setWedgeNumber(
XSDataInteger(iCollectionPlanNumber))
xsDataISPyBScreeningStrategyWedge.setCompleteness(
XSDataDouble(fCompleteness))
xsDataISPyBScreeningStrategyWedge.setMultiplicity(
XSDataDouble(fMultiplicity))
xsDataISPyBScreeningStrategyWedge.setResolution(
XSDataDouble(fResolution))
xsDataCollectionStrategy = xsDataCollectionPlan.getCollectionStrategy(
)
if (xsDataCollectionStrategy is not None):
lXSDataSubWedge = xsDataCollectionStrategy.getSubWedge(
)
if (lXSDataSubWedge is not None):
for xsDataSubWedge in lXSDataSubWedge:
iSubWedgeNumber = xsDataSubWedge.getSubWedgeNumber(
).getValue()
fPhiStart = xsDataSubWedge.getExperimentalCondition(
).getGoniostat().getRotationAxisStart(
).getValue()
fPhiEnd = xsDataSubWedge.getExperimentalCondition(
).getGoniostat().getRotationAxisEnd().getValue(
)
fRotation = xsDataSubWedge.getExperimentalCondition(
).getGoniostat().getOscillationWidth(
).getValue()
fExposureTime = xsDataSubWedge.getExperimentalCondition(
).getBeam().getExposureTime().getValue()
fAccumulatedExposureTime += fExposureTime
fTransmission = xsDataSubWedge.getExperimentalCondition(
).getBeam().getTransmission().getValue()
if (not xsDataSubWedge.
getExperimentalCondition().getBeam(
).getFlux() is None):
fFlux = xsDataSubWedge.getExperimentalCondition(
).getBeam().getFlux().getValue()
else:
fFlux = None
iNumberOfImages = int(
math.ceil(
(fPhiEnd - fPhiStart) / fRotation))
xsDataISPyBScreeningStrategySubWedge = XSDataISPyBScreeningStrategySubWedge(
)
xsDataISPyBScreeningStrategyWedgeContainer.getScreeningStrategySubWedge(
).append(xsDataISPyBScreeningStrategySubWedge)
xsDataISPyBScreeningStrategySubWedge.setSubWedgeNumber(
XSDataInteger(iSubWedgeNumber))
xsDataISPyBScreeningStrategySubWedge.setAxisStart(
XSDataDouble(fPhiStart))
xsDataISPyBScreeningStrategySubWedge.setAxisEnd(
XSDataDouble(fPhiEnd))
xsDataISPyBScreeningStrategySubWedge.setRotationAxis(
XSDataString("Omega"))
xsDataISPyBScreeningStrategySubWedge.setOscillationRange(
XSDataDouble(fRotation))
xsDataISPyBScreeningStrategySubWedge.setExposureTime(
XSDataDouble(fExposureTime))
xsDataISPyBScreeningStrategySubWedge.setTransmission(
XSDataDouble(fTransmission))
xsDataISPyBScreeningStrategySubWedge.setNumberOfImages(
XSDataInteger(iNumberOfImages))
iWedgeNumberOfImages += iNumberOfImages
if (fFlux is not None):
xsDataISPyBScreeningStrategySubWedge.setDoseTotal(
XSDataDouble(fFlux))
fWedgeDoseTotal += fFlux
if (fCompleteness is not None):
xsDataISPyBScreeningStrategySubWedge.setCompleteness(
XSDataDouble(fCompleteness))
if (fMultiplicity is not None):
xsDataISPyBScreeningStrategySubWedge.setMultiplicity(
XSDataDouble(fMultiplicity))
if (fResolution is not None):
xsDataISPyBScreeningStrategySubWedge.setResolution(
XSDataDouble(fResolution))
xsDataISPyBScreeningStrategyWedge.setNumberOfImages(
XSDataInteger(iWedgeNumberOfImages))
xsDataISPyBScreeningStrategyWedge.setDoseTotal(
XSDataDouble(fWedgeDoseTotal))
xsDataISPyBScreeningStrategy.setExposureTime(
XSDataDouble(fAccumulatedExposureTime))
return xsDataISPyBScreeningOutputContainer
def testSetDataModelInput(self):
"""
A test for whether we can obtain the expected XML by setting a certain input for the plugin.
"""
edPluginISPyB = self.createPlugin()
xsPluginItemISPyB = self.getPluginConfiguration(
os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml"))
edPluginISPyB.setConfiguration(xsPluginItemISPyB)
edPluginISPyB.configure()
# Create XSDataISPyB objects
xsDataISPyBImage = XSDataISPyBImage()
xsDataISPyBImage.setFileName(XSDataString("test.img"))
xsDataISPyBImage.setFileLocation(XSDataString("/tmp"))
xsDataISPyBScreening = XSDataISPyBScreening()
xsDataISPyBScreening.setProgramVersion(XSDataString("EDNA Prototype"))
xsDataISPyBScreeningInput = XSDataISPyBScreeningInput()
xsDataISPyBScreeningInput.setBeamX(XSDataDouble(10.4))
xsDataISPyBScreeningInput.setBeamY(XSDataDouble(2.31))
xsDataISPyBScreeningInput.setRmsErrorLimits(XSDataDouble(0.8))
xsDataISPyBScreeningInput.setMinimumFractionIndexed(XSDataDouble(0.4))
xsDataISPyBScreeningInput.setMaximumFractionRejected(
XSDataDouble(0.45))
xsDataISPyBScreeningInput.setMinimumSignalToNoise(XSDataDouble(0.56))
xsDataISPyBScreeningOutput = XSDataISPyBScreeningOutput()
xsDataISPyBScreeningOutput.setStatusDescription(
XSDataString("It's just fine."))
xsDataISPyBScreeningOutput.setMosaicity(XSDataDouble(0.25))
xsDataISPyBScreeningOutput.setBeamShiftX(XSDataDouble(0.141))
xsDataISPyBScreeningOutput.setBeamShiftY(XSDataDouble(0.156))
xsDataISPyBScreeningOutputLattice = XSDataISPyBScreeningOutputLattice()
xsDataISPyBScreeningOutputLattice.setSpaceGroup(XSDataString("P222"))
xsDataISPyBScreeningStrategy = XSDataISPyBScreeningStrategy()
xsDataISPyBScreeningStrategy.setPhiStart(XSDataDouble(0))
xsDataISPyBScreeningStrategy.setPhiEnd(XSDataDouble(20))
xsDataISPyBScreeningStrategy.setRotation(XSDataDouble(1))
xsDataISPyBScreeningStrategy.setProgram(XSDataString("EDNA"))
xsDataISPyBScreeningStrategy.setAnomalous(XSDataBoolean(1))
xsDataISPyBScreeningStrategyWedge = XSDataISPyBScreeningStrategyWedge()
xsDataISPyBScreeningStrategyWedge.setWedgeNumber(XSDataInteger(1))
xsDataISPyBScreeningStrategyWedge.setResolution(XSDataDouble(2.1))
xsDataISPyBScreeningStrategyWedge.setCompleteness(XSDataDouble(90))
xsDataISPyBScreeningStrategyWedge.setMultiplicity(XSDataDouble(1.5))
xsDataISPyBScreeningStrategyWedge.setDoseTotal(XSDataDouble(40.5))
xsDataISPyBScreeningStrategyWedge.setNumberOfImages(XSDataInteger(130))
xsDataISPyBScreeningStrategySubWedge = XSDataISPyBScreeningStrategySubWedge(
)
xsDataISPyBScreeningStrategySubWedge.setSubWedgeNumber(
XSDataInteger(1))
xsDataISPyBScreeningStrategySubWedge.setRotationAxis(
XSDataString("Omega"))
xsDataISPyBScreeningStrategySubWedge.setAxisStart(XSDataDouble(0.0))
xsDataISPyBScreeningStrategySubWedge.setAxisEnd(XSDataDouble(90.0))
xsDataISPyBScreeningStrategySubWedge.setExposureTime(XSDataDouble(0.5))
xsDataISPyBScreeningStrategySubWedge.setTransmission(
XSDataDouble(100.0))
xsDataISPyBScreeningStrategySubWedge.setNumberOfImages(
XSDataInteger(130))
xsDataISPyBScreeningStrategyWedgeContainer = XSDataISPyBScreeningStrategyWedgeContainer(
)
xsDataISPyBScreeningStrategyWedgeContainer.setScreeningStrategyWedge(
xsDataISPyBScreeningStrategyWedge)
xsDataISPyBScreeningStrategyWedgeContainer.getScreeningStrategySubWedge(
).append(xsDataISPyBScreeningStrategySubWedge)
xsDataISPyBScreeningStrategyContainer = XSDataISPyBScreeningStrategyContainer(
)
xsDataISPyBScreeningStrategyContainer.setScreeningStrategy(
xsDataISPyBScreeningStrategy)
xsDataISPyBScreeningStrategyContainer.getScreeningStrategyWedgeContainer(
).append(xsDataISPyBScreeningStrategyWedgeContainer)
xsDataISPyBScreeningOutputContainer = XSDataISPyBScreeningOutputContainer(
)
xsDataISPyBScreeningOutputContainer.setScreeningOutput(
xsDataISPyBScreeningOutput)
xsDataISPyBScreeningOutputContainer.getScreeningOutputLattice().append(
xsDataISPyBScreeningOutputLattice)
xsDataISPyBScreeningOutputContainer.getScreeningStrategyContainer(
).append(xsDataISPyBScreeningStrategyContainer)
xsDataISPyBScreeningRank = XSDataISPyBScreeningRank()
xsDataISPyBScreeningRank.setRankValue(XSDataDouble(1.4))
xsDataISPyBScreeningRank.setRankInformation(
XSDataString("This is the only one"))
xsDataISPyBScreeningRankSet = XSDataISPyBScreeningRankSet()
xsDataISPyBScreeningRankSet.setRankEngine(XSDataString("ISPyB"))
xsDataISPyBScreeningFile = XSDataISPyBScreeningFile()
xsDataISPyBScreeningFile.setFileType(XSDataString("log"))
xsDataISPyBScreeningFile.setDescription(
XSDataString("Output log file"))
# Write XSDataISPyB objects to files
xsDataISPyBScreening.outputFile(self.__strObtainedScreening)
xsDataISPyBScreeningInput.outputFile(self.__strObtainedScreeningInput)
xsDataISPyBScreeningOutputContainer.outputFile(
self.__strObtainedScreeningOutputContainer)
xsDataISPyBScreeningRank.outputFile(self.__strObtainedScreeningRank)
xsDataISPyBScreeningRankSet.outputFile(
self.__strObtainedScreeningRankSet)
xsDataISPyBScreeningFile.outputFile(self.__strObtainedScreeningFile)
# Compare screening
strInputScreeningExpected = self.readAndParseFile(
self.__strReferenceInputScreening)
xsDataScreeningExpected = XSDataInputISPyB.parseString(
strInputScreeningExpected)
strXMLScreeningExpected = xsDataScreeningExpected.marshal()
strScreeningObtained = self.readAndParseFile(
self.__strObtainedScreening)
xsDataScreeningObtained = XSDataInputISPyB.parseString(
strScreeningObtained)
strXMLScreeningObtained = xsDataScreeningObtained.marshal()
EDAssert.equal(strXMLScreeningExpected, strXMLScreeningObtained)
#Compare screeningInput
strInputScreeningInputExpected = self.readAndParseFile(
self.__strReferenceInputScreeningInput)
xsDataScreeningInputExpected = XSDataInputISPyB.parseString(
strInputScreeningInputExpected)
strXMLScreeningInputExpected = xsDataScreeningInputExpected.marshal()
strScreeningInputObtained = self.readAndParseFile(
self.__strObtainedScreeningInput)
xsDataScreeningInputObtained = XSDataInputISPyB.parseString(
strScreeningInputObtained)
strXMLScreeningInputObtained = xsDataScreeningInputObtained.marshal()
EDAssert.equal(strXMLScreeningInputExpected,
strXMLScreeningInputObtained)
#Compare screeningOutputContainer
strInputScreeningOutputContainerExpected = self.readAndParseFile(
self.__strReferenceInputScreeningOutputContainer)
xsDataScreeningOutputContainerExpected = XSDataInputISPyB.parseString(
strInputScreeningOutputContainerExpected)
strXMLScreeningOutputContainerExpected = xsDataScreeningOutputContainerExpected.marshal(
)
strScreeningOutputContainerObtained = self.readAndParseFile(
self.__strObtainedScreeningOutputContainer)
xsDataScreeningOutputContainerObtained = XSDataInputISPyB.parseString(
strScreeningOutputContainerObtained)
strXMLScreeningOutputContainerObtained = xsDataScreeningOutputContainerObtained.marshal(
)
EDAssert.equal(strXMLScreeningOutputContainerExpected,
strXMLScreeningOutputContainerObtained)
#Compare screeningRank
strInputScreeningRankExpected = self.readAndParseFile(
self.__strReferenceInputScreeningRank)
xsDataScreeningRankExpected = XSDataInputISPyB.parseString(
strInputScreeningRankExpected)
strXMLScreeningRankExpected = xsDataScreeningRankExpected.marshal()
strScreeningRankObtained = self.readAndParseFile(
self.__strObtainedScreeningRank)
xsDataScreeningRankObtained = XSDataInputISPyB.parseString(
strScreeningRankObtained)
strXMLScreeningRankObtained = xsDataScreeningRankObtained.marshal()
EDAssert.equal(strXMLScreeningRankExpected,
strXMLScreeningRankObtained)
#Compare screeningRankSet
strInputScreeningRankSetExpected = self.readAndParseFile(
self.__strReferenceInputScreeningRankSet)
xsDataScreeningRankSetExpected = XSDataInputISPyB.parseString(
strInputScreeningRankSetExpected)
strXMLScreeningRankSetExpected = xsDataScreeningRankSetExpected.marshal(
)
strScreeningRankSetObtained = self.readAndParseFile(
self.__strObtainedScreeningRankSet)
xsDataScreeningRankSetObtained = XSDataInputISPyB.parseString(
strScreeningRankSetObtained)
strXMLScreeningRankSetObtained = xsDataScreeningRankSetObtained.marshal(
)
EDAssert.equal(strXMLScreeningRankSetExpected,
strXMLScreeningRankSetObtained)
#Compare screeningFile
strInputScreeningFileExpected = self.readAndParseFile(
self.__strReferenceInputScreeningFile)
xsDataScreeningFileExpected = XSDataInputISPyB.parseString(
strInputScreeningFileExpected)
strXMLScreeningFileExpected = xsDataScreeningFileExpected.marshal()
strScreeningFileObtained = self.readAndParseFile(
self.__strObtainedScreeningFile)
xsDataScreeningFileObtained = XSDataInputISPyB.parseString(
strScreeningFileObtained)
strXMLScreeningFileObtained = xsDataScreeningFileObtained.marshal()
EDAssert.equal(strXMLScreeningFileExpected,
strXMLScreeningFileObtained)
self.cleanUp(edPluginISPyB)