def doSuccessReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
xsDataResultReadImageHeader = self.edPluginControlReadImageHeader.getDataOutput()
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.getSubWedge()
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
self.xsDataCollection.setDiffractionPlan(self.xsDataDiffractionPlan)
if not self.bDoOnlyIntegrationWithXMLOutput:
xsDataInputControlImageQualityIndicators = XSDataInputControlImageQualityIndicators()
if self.bStoreImageQualityIndicatorsInISPyB:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(True)
else:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(False)
xsDataInputControlImageQualityIndicators.addImage(XSDataImage(path=XSDataString(self.strImageFile)))
self.edPluginControlIndicators.setDataInput(xsDataInputControlImageQualityIndicators)
self.edPluginControlIndicators.connectSUCCESS(self.doSuccessIndicators)
self.edPluginControlIndicators.connectFAILURE(self.doFailureIndicators)
self.executePluginSynchronous(self.edPluginControlIndicators)
else:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def doXdsIndexingIntegration(self, _xsDataCollection):
# Load the plugin
self._edPluginIndexing = self.loadPlugin(self._strIndexingPluginName,
"Indexing")
# XDS Indexing
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(_xsDataCollection)
self._edPluginIndexing.dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(
xsDataIndexingInput)
self._edPluginIndexing.executeSynchronous()
xsDataResultXDSIndexing = self._edPluginIndexing.dataOutput
if xsDataResultXDSIndexing.spaceGroupNumber is not None:
spaceGroupNumber = xsDataResultXDSIndexing.spaceGroupNumber.value
unitCell = xsDataResultXDSIndexing.unitCell
filePaths = xsDataResultXDSIndexing.filePaths
index = 1
for subWedge in _xsDataCollection.subWedge:
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(subWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataInputXDSIntegration = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIntegration(
xsDataIndexingInput, spaceGroupNumber, unitCell, filePaths)
edPluginIntegration = self.loadPlugin(
self._strIntegrationPluginName,
"Integration_{0}".format(index))
edPluginIntegration.dataInput = xsDataInputXDSIntegration
edPluginIntegration.executeSynchronous()
# self._edPluginIntegration.dataInput = xsDataInputXDSIntegration
index += 1
def createDataCollectionFromDataFiles(self, _pyListXSDataFile):
"""
This method takes as input a list of paths to XML data files. It parses
these files and create a single XSDataCollection object.
"""
EDVerbose.DEBUG("EDPluginControlCCP4iv10.createDataCollectionFromDataFiles")
xsDataCollection = None
xsDataCollectionCurrent = None
for xsDataInputFile in _pyListXSDataFile:
try:
strInputFileContent = EDUtilsFile.readFile(xsDataInputFile.getPath().getValue())
xsDataCollectionCurrent = XSDataCollection.parseString(strInputFileContent)
except Exception, detail:
errorMessage = EDMessage.ERROR_EXECUTION_03 % ('EDPluginControlCCP4iv10.preProcess', 'EDPluginControlCCP4iv10', detail)
EDVerbose.error(errorMessage)
self.addErrorMessage(errorMessage)
self.setFailure()
if (xsDataCollectionCurrent is None):
errorMessage = EDMessage.ERROR_EXECUTION_03 % ('EDPluginControlCCP4iv10.preProcess', 'EDPluginControlCCP4iv10', "None data collection")
EDVerbose.error(errorMessage)
self.addErrorMessage(errorMessage)
self.setFailure()
else:
# Instantiate the xsDataCollection object if it's not already done.
if (xsDataCollection is None):
xsDataCollection = XSDataCollection()
for xsDataSubWedge in xsDataCollectionCurrent.getSubWedge():
xsDataCollection.addSubWedge(xsDataSubWedge)
def doXdsIndexingIntegration(self, _xsDataCollection):
# Load the plugin
self._edPluginIndexing = self.loadPlugin(self._strIndexingPluginName, "Indexing")
# XDS Indexing
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(_xsDataCollection)
self._edPluginIndexing.dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(xsDataIndexingInput)
self._edPluginIndexing.executeSynchronous()
xsDataResultXDSIndexing = self._edPluginIndexing.dataOutput
if xsDataResultXDSIndexing.spaceGroupNumber is not None:
spaceGroupNumber = xsDataResultXDSIndexing.spaceGroupNumber.value
unitCell = xsDataResultXDSIndexing.unitCell
filePaths = xsDataResultXDSIndexing.filePaths
index = 1
for subWedge in _xsDataCollection.subWedge:
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(subWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataInputXDSIntegration = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIntegration(xsDataIndexingInput,
spaceGroupNumber,
unitCell,
filePaths)
edPluginIntegration = self.loadPlugin(self._strIntegrationPluginName, "Integration_{0}".format(index))
edPluginIntegration.dataInput = xsDataInputXDSIntegration
edPluginIntegration.executeSynchronous()
# self._edPluginIntegration.dataInput = xsDataInputXDSIntegration
index += 1
def createDataCollectionFromDataFiles(self, _pyListXSDataFile):
"""
This method takes as input a list of paths to XML data files. It parses
these files and create a single XSDataCollection object.
"""
EDVerbose.DEBUG(
"EDPluginControlCCP4iv10.createDataCollectionFromDataFiles")
xsDataCollection = None
xsDataCollectionCurrent = None
for xsDataInputFile in _pyListXSDataFile:
try:
strInputFileContent = EDUtilsFile.readFile(
xsDataInputFile.getPath().getValue())
xsDataCollectionCurrent = XSDataCollection.parseString(
strInputFileContent)
except Exception, detail:
errorMessage = EDMessage.ERROR_EXECUTION_03 % (
'EDPluginControlCCP4iv10.preProcess',
'EDPluginControlCCP4iv10', detail)
EDVerbose.error(errorMessage)
self.addErrorMessage(errorMessage)
self.setFailure()
if (xsDataCollectionCurrent is None):
errorMessage = EDMessage.ERROR_EXECUTION_03 % (
'EDPluginControlCCP4iv10.preProcess',
'EDPluginControlCCP4iv10', "None data collection")
EDVerbose.error(errorMessage)
self.addErrorMessage(errorMessage)
self.setFailure()
else:
# Instantiate the xsDataCollection object if it's not already done.
if (xsDataCollection is None):
xsDataCollection = XSDataCollection()
for xsDataSubWedge in xsDataCollectionCurrent.getSubWedge():
xsDataCollection.addSubWedge(xsDataSubWedge)
def createDataInputCharacterisationFromDataSets(self,
_pyListXSDataCCP4iDataSet):
"""
This method takes as input a list of ccp4i data sets. Each data set can contain several
paths to image files. It runs the EDPluginControlSubWedgeAssemble plugin to read the
experimental information from the image headers and then creates a single XSDataInputCharacterisation object.
"""
EDVerbose.DEBUG(
"EDPluginControlCCP4iv1_1.createDataInputCharacterisationFromDataSets"
)
xsDataInputCharacterisation = None
# We might have to run the plugin several times
edActionCluster = EDActionCluster()
pyListPluginControlSubWedgeAssemble = []
# Prepare the action cluster
iIndex = 1
for xsDataCCP4iDataSet in _pyListXSDataCCP4iDataSet:
edPluginControlSubWedgeAssemble = self.loadPlugin(
self.__strPluginControlSubWedgeAssembleName,
"SubWedgeAssemble-%02d" % iIndex)
edPluginControlSubWedgeAssemble.connectSUCCESS(
self.doSuccessActionSubWedgeAssemble)
edPluginControlSubWedgeAssemble.connectFAILURE(
self.doFailureActionSubWedgeAssemble)
# Prepare the input for the sub wedge assemble plugin
xsDataInputSubWedgeAssemble = XSDataInputSubWedgeAssemble()
for xsDataImageFile in xsDataCCP4iDataSet.getImageFile():
xsDataInputSubWedgeAssemble.addFile(xsDataImageFile)
edPluginControlSubWedgeAssemble.setDataInput(
xsDataInputSubWedgeAssemble)
pyListPluginControlSubWedgeAssemble.append(
edPluginControlSubWedgeAssemble)
self.addPluginToActionCluster(edPluginControlSubWedgeAssemble)
iIndex += 1
# Run the action cluster synchronously
self.executeActionCluster()
self.synchronizeActionCluster()
# Recuperate the output
for edPluginControlSubWedgeAssemble in pyListPluginControlSubWedgeAssemble:
if (edPluginControlSubWedgeAssemble.isFailure()):
self.setFailure()
else:
xsDataResultSubWedgeAssemble = edPluginControlSubWedgeAssemble.getDataOutput(
)
for xsDataSubWedge in xsDataResultSubWedgeAssemble.getSubWedge(
):
# Instantiate the xsDataInputCharacterisation object if it's not already done.
xsDataCollection = None
if (xsDataInputCharacterisation is None):
xsDataInputCharacterisation = XSDataInputCharacterisation(
)
else:
xsDataCollection = xsDataInputCharacterisation.getDataCollection(
)
if (xsDataCollection is None):
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataInputCharacterisation.setDataCollection(
xsDataCollection)
return xsDataInputCharacterisation
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
self.DEBUG("EDPluginControlGeneratePredictionv10.preProcess...")
xsDataGeneratePredictionInput = self.getDataInput()
xsDataSelectedIndexingSolution = xsDataGeneratePredictionInput.getSelectedIndexingSolution()
xsDataExperimentalConditionRefined = xsDataSelectedIndexingSolution.getExperimentalConditionRefined()
xsDataCollection = xsDataGeneratePredictionInput.getDataCollection()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
# List containing instances of all the generate prediction plugins
self.__listPluginGeneratePrediction = []
# Loop through all subwedges
iIndex = 0
for xsDataSubWedge in xsDataSubWedgeList:
xsDataImageList = xsDataSubWedge.getImage()
# 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
# Then loop through all images in a sub wedge
for xsDataImage in xsDataImageList:
iIndex += 1
edPluginGeneratePrediction = self.loadPlugin(self.__strPluginGeneratePredictionName,
"%s-%02d" % (self.__strPluginGeneratePredictionName, iIndex))
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataSelectedIndexingSolution.marshal()))
xsDataCollectionNew = XSDataCollection()
xsDataSubWedgeNew = XSDataSubWedge()
xsDataSubWedgeNew.addImage(XSDataImage.parseString(xsDataImage.marshal()))
xsDataSubWedgeNew.setExperimentalCondition(XSDataExperimentalCondition.parseString(xsDataSubWedge.getExperimentalCondition().marshal()))
# We must modify the rotationOscillationStart for the new subwedge
xsDataGoniostatNew = xsDataSubWedgeNew.getExperimentalCondition().getGoniostat()
fGoniostatRotationAxisStart = xsDataGoniostatNew.getRotationAxisStart().getValue()
fGonioStatOscillationRange = xsDataGoniostatNew.getOscillationWidth().getValue()
iImageNumber = xsDataImage.getNumber().getValue()
fGoniostatRotationAxisStartNew = fGoniostatRotationAxisStart + (iImageNumber - iLowestImageNumber) * fGonioStatOscillationRange
xsDataGoniostatNew.setRotationAxisStart(XSDataAngle(fGoniostatRotationAxisStartNew))
#
xsDataCollectionNew.addSubWedge(xsDataSubWedgeNew)
xsDataGeneratePredictionInput.setDataCollection(xsDataCollectionNew)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMInputGeneratePrediction = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputGeneratePrediction(xsDataGeneratePredictionInput)
edPluginGeneratePrediction.setDataInput(xsDataMOSFLMInputGeneratePrediction)
self.__listPluginGeneratePrediction.append(edPluginGeneratePrediction)
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
self.DEBUG("EDPluginControlIntegrationv10.preProcess...")
xsDataIntegrationInput = self.getDataInput()
xsDataSelectedIndexingSolution = xsDataIntegrationInput.getSelectedIndexingSolution()
self.__xsDataExperimentalConditionRefined = xsDataIntegrationInput.getExperimentalConditionRefined()
# To be changed (see bug #40)
if (self.__xsDataExperimentalConditionRefined is None):
self.__xsDataExperimentalConditionRefined = xsDataSelectedIndexingSolution.getExperimentalConditionRefined()
xsDataCollection = xsDataIntegrationInput.getDataCollection()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
self.__edPluginIntegrationList = []
iIndex = 0
for xsDataSubWedge in xsDataSubWedgeList:
iSubWedgeNumber = iIndex
if (xsDataSubWedge.getSubWedgeNumber() is not None):
# Use the incoming subwedge number if it exists
iSubWedgeNumber = xsDataSubWedge.getSubWedgeNumber().getValue()
edPluginIntegration = self.loadPlugin(self.__strPluginIntegrationName)
if (not edPluginIntegration is None):
iIndex += 1
xsDataIntegrationInputSubWedge = XSDataIntegrationInput()
xsDataIntegrationInputSubWedge.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataSelectedIndexingSolution.marshal()))
xsDataIntegrationInputSubWedge.setExperimentalConditionRefined(XSDataExperimentalCondition.parseString(self.__xsDataExperimentalConditionRefined.marshal()))
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIntegrationInputSubWedge.setDataCollection(xsDataCollection)
try:
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMInputIntegration = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIntegration(xsDataIntegrationInputSubWedge)
edPluginIntegration.setDataInput(xsDataMOSFLMInputIntegration)
edPluginIntegration.setBaseName("%s-%02d" % (self.__strPluginIntegrationName, iIndex))
edPluginIntegration.connectSUCCESS(self.doSuccessActionIntegration)
edPluginIntegration.connectFAILURE(self.doFailureActionIntegration)
# Here we store the sub wedge number for use in the results
self.__edPluginIntegrationList.append([iSubWedgeNumber, edPluginIntegration])
except Exception as strErrorMessage:
self.addErrorMessage(strErrorMessage)
self.ERROR(strErrorMessage)
self.setFailure()
else:
strErrorMessage = "EDPluginControlIntegrationv10.preProcess: could not load plugin %s" % self.__strPluginIntegrationName
self.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
def doSuccessEvaluationIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_2.doSuccessEvaluationIndexingMOSFLM")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv1_2.doSuccessEvaluationIndexing")
# Retrieve status messages (if any)
if self.__edPluginExecEvaluationIndexingMOSFLM.hasDataOutput("statusMessageImageQualityIndicators"):
self.addStatusMessage(self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("statusMessageImageQualityIndicators")[0].getValue())
if self.__edPluginExecEvaluationIndexingMOSFLM.hasDataOutput("statusMessageIndexing"):
self.addStatusMessage("MOSFLM: " + self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexWithLabelit = False
bIndexingSuccess = self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingResult")[0]
self.__xsDataIndexingResultMOSFLM = xsDataIndexingResult
# Check if space group is P1 - if yes run Labelit indexing
xsDataIndexingSolutionSelected = xsDataIndexingResult.getSelectedSolution()
xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
strSpaceGroupName = xsDataSpaceGroup.getName().getValue().upper()
# Check if MOSFLM has indexed in P1
if strSpaceGroupName == "P1":
# Check if the user maybe asked for P1!
bIndexWithLabelit = True
if self.__xsDataCollection.getDiffractionPlan() is not None:
if self.__xsDataCollection.getDiffractionPlan().getForcedSpaceGroup() is not None:
if self.__xsDataCollection.getDiffractionPlan().getForcedSpaceGroup().getValue().upper() == "P1":
self.screen("P1 space forced by diffraction plan")
bIndexWithLabelit = False
if bIndexWithLabelit:
self.screen("P1 space group choosed - reindexing with Labelit")
else:
self.screen("MOSFLM indexing successful!")
if self.__edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self.__strCharacterisationShortSummary += self.__edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
# Generate prediction images
xsDataCollection = self.__xsDataResultCharacterisation.getDataCollection()
self.__xsDataResultCharacterisation.setIndexingResult(xsDataIndexingResult)
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataIndexingResult.getSelectedSolution().marshal()))
self.__edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
# Start the generation of prediction images - we synchronize in the post-process
self.__edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
self.screen("Indexing with MOSFLM failed!")
bIndexWithLabelit = True
if bIndexWithLabelit:
# Execute Labelit indexing
self.screen("Now trying to index with Labelit - please be patient...")
xsDataIndexingInput = XSDataIndexingInput()
xsDataSubWedgeList = self.__xsDataCollection.getSubWedge()
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
xsDataIndexingInput.setDataCollection(self.__xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(xsDataExperimentalCondition)
if self.__xsDataCrystal != None:
xsDataIndexingInput.setCrystal(self.__xsDataCrystal)
self.__edPluginControlIndexingLabelit.setDataInput(xsDataIndexingInput)
self.__edPluginControlIndexingLabelit.executeSynchronous()
def doFailureIndexingLabelit(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_2.doFailureIndexingLabelit")
self.addStatusMessage("Labelit: Indexing FAILURE.")
if self.__xsDataResultCharacterisation is not None:
self.setDataOutput(self.__xsDataResultCharacterisation)
if self.__xsDataIndexingResultMOSFLM == None:
strErrorMessage = "Execution of indexing with both MOSFLM and Labelit failed. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.generateExecutiveSummary(self)
self.setFailure()
if self.__strStatusMessage != None:
self.setDataOutput(XSDataString(self.__strStatusMessage), "statusMessage")
self.writeDataOutput()
else:
# Use the MOSFLM indexing results - even if it's P1
self.__xsDataResultCharacterisation.setIndexingResult(self.__xsDataIndexingResultMOSFLM)
xsDataCollection = self.__xsDataResultCharacterisation.getDataCollection()
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(self.__xsDataIndexingResultMOSFLM.getSelectedSolution().marshal()))
self.__edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
if self.__edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self.__strCharacterisationShortSummary += self.__edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
# Start the generation of prediction images - we synchronize in the post-process
self.__edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
def doSuccessEvaluationIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_5.doSuccessEvaluationIndexingMOSFLM")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv1_5.doSuccessEvaluationIndexingMOSFLM")
# Retrieve status messages (if any)
if self._edPluginExecEvaluationIndexingMOSFLM.hasDataOutput("statusMessageIndexing"):
self.addStatusMessage("MOSFLM: " + self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput("statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexingSuccess = self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingResult")[0]
self._xsDataResultCharacterisation.setIndexingResult(xsDataIndexingResult)
self._strCharacterisationShortSummary += self.generateIndexingShortSummary(xsDataIndexingResult)
xsDataCollection = self._xsDataResultCharacterisation.getDataCollection()
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataIndexingResult.getSelectedSolution().marshal()))
self._edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
if self._edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self._strCharacterisationShortSummary += self._edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
# Start the generation of prediction images - we synchronize in the post-process
self._edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
strErrorMessage = "Execution of indexing with MOSFLM failed."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage(strErrorMessage)
self.setFailure()
self.generateExecutiveSummary(self)
if self._strStatusMessage != None:
self.setDataOutput(XSDataString(self._strStatusMessage), "statusMessage")
self.writeDataOutput()
def doSuccessEvaluationIndexingMOSFLM(self, _edPlugin=None):
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_2.doSuccessEvaluationIndexingMOSFLM")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv1_2.doSuccessEvaluationIndexing")
# Retrieve status messages (if any)
if self.__edPluginExecEvaluationIndexingMOSFLM.hasDataOutput("statusMessageImageQualityIndicators"):
self.addStatusMessage(self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("statusMessageImageQualityIndicators")[0].getValue())
if self.__edPluginExecEvaluationIndexingMOSFLM.hasDataOutput("statusMessageIndexing"):
self.addStatusMessage("MOSFLM: " + self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexWithLabelit = False
bIndexingSuccess = self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self.__edPluginExecEvaluationIndexingMOSFLM.getDataOutput("indexingResult")[0]
self.__xsDataIndexingResultMOSFLM = xsDataIndexingResult
# Check if space group is P1 - if yes run Labelit indexing
xsDataIndexingSolutionSelected = xsDataIndexingResult.getSelectedSolution()
xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
xsDataSpaceGroup = xsDataCrystal.getSpaceGroup()
strSpaceGroupName = xsDataSpaceGroup.getName().getValue().upper()
# Check if MOSFLM has indexed in P1
if strSpaceGroupName == "P1":
# Check if the user maybe asked for P1!
bIndexWithLabelit = True
if self.__xsDataCollection.getDiffractionPlan() is not None:
if self.__xsDataCollection.getDiffractionPlan().getForcedSpaceGroup() is not None:
if self.__xsDataCollection.getDiffractionPlan().getForcedSpaceGroup().getValue().upper() == "P1":
EDVerbose.screen("P1 space forced by diffraction plan")
bIndexWithLabelit = False
if bIndexWithLabelit:
EDVerbose.screen("P1 space group choosed - reindexing with Labelit")
else:
EDVerbose.screen("MOSFLM indexing successful!")
if self.__edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self.__strCharacterisationShortSummary += self.__edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
# Generate prediction images
xsDataCollection = self.__xsDataResultCharacterisation.getDataCollection()
self.__xsDataResultCharacterisation.setIndexingResult(xsDataIndexingResult)
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataIndexingResult.getSelectedSolution().marshal()))
self.__edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
# Start the generation of prediction images - we synchronize in the post-process
self.__edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
EDVerbose.screen("Indexing with MOSFLM failed!")
bIndexWithLabelit = True
if bIndexWithLabelit:
# Execute Labelit indexing
EDVerbose.screen("Now trying to index with Labelit - please be patient...")
xsDataIndexingInput = XSDataIndexingInput()
xsDataSubWedgeList = self.__xsDataCollection.getSubWedge()
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
xsDataIndexingInput.setDataCollection(self.__xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(xsDataExperimentalCondition)
if self.__xsDataCrystal != None:
xsDataIndexingInput.setCrystal(self.__xsDataCrystal)
self.__edPluginControlIndexingLabelit.setDataInput(xsDataIndexingInput)
self.__edPluginControlIndexingLabelit.executeSynchronous()
def testCheckParameters(self):
strXMLInput = self.readAndParseFile(self.strPathToReferenceInput)
xsDataInput = XSDataCollection.parseString(strXMLInput)
edPluginControlIndexingIndicators = self.createPlugin()
edPluginControlIndexingIndicators.setDataInput(xsDataInput,
"dataCollection")
edPluginControlIndexingIndicators.checkParameters()
def doFailureIndexingLabelit(self, _edPlugin=None):
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_2.doFailureIndexingLabelit")
self.addStatusMessage("Labelit: Indexing FAILURE.")
if self.__xsDataResultCharacterisation is not None:
self.setDataOutput(self.__xsDataResultCharacterisation)
if self.__xsDataIndexingResultMOSFLM == None:
strErrorMessage = "Execution of indexing with both MOSFLM and Labelit failed. Execution of characterisation aborted."
EDVerbose.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.generateExecutiveSummary(self)
self.setFailure()
if self.__strStatusMessage != None:
self.setDataOutput(XSDataString(self.__strStatusMessage), "statusMessage")
self.writeDataOutput()
else:
# Use the MOSFLM indexing results - even if it's P1
self.__xsDataResultCharacterisation.setIndexingResult(self.__xsDataIndexingResultMOSFLM)
xsDataCollection = self.__xsDataResultCharacterisation.getDataCollection()
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(self.__xsDataIndexingResultMOSFLM.getSelectedSolution().marshal()))
self.__edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
if self.__edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self.__strCharacterisationShortSummary += self.__edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
# Start the generation of prediction images - we synchronize in the post-process
self.__edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
def doSuccessReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
xsDataResultReadImageHeader = self.edPluginControlReadImageHeader.getDataOutput()
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.getSubWedge()
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
self.xsDataCollection.setDiffractionPlan(self.xsDataDiffractionPlan)
if not self.bDoOnlyIntegrationWithXMLOutput:
xsDataInputControlImageQualityIndicators = XSDataInputControlImageQualityIndicators()
if self.bStoreImageQualityIndicatorsInISPyB:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(True)
else:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(False)
xsDataInputControlImageQualityIndicators.addImage(XSDataImage(path=XSDataString(self.strImageFile)))
self.edPluginControlIndicators.setDataInput(xsDataInputControlImageQualityIndicators)
self.edPluginControlIndicators.connectSUCCESS(self.doSuccessIndicators)
self.edPluginControlIndicators.connectFAILURE(self.doFailureIndicators)
self.executePluginSynchronous(self.edPluginControlIndicators)
else:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_3.preProcess")
# Load the plugins
self._edPluginControlIndexingIndicators = self.loadPlugin(self._strPluginControlIndexingIndicators, \
"Indexing")
self._edPluginControlIndexingLabelit = self.loadPlugin(self._strPluginControlIndexingLabelit, \
"IndexingLabelit")
self._edPluginExecEvaluationIndexingMOSFLM = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionMOSFLM")
self._edPluginExecEvaluationIndexingLABELIT = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionLABELIT")
self._edPluginControlGeneratePrediction = self.loadPlugin(self._strPluginControlGeneratePrediction, \
"GeneratePrediction")
self._edPluginControlIntegration = self.loadPlugin(self._strPluginControlIntegration, \
"Integration")
self._edPluginControlXDSGenerateBackgroundImage = self.loadPlugin(self._strPluginControlXDSGenerateBackgroundImage, \
"ControlXDSGenerateBackgroundImage")
self._edPluginControlStrategy = self.loadPlugin(self._strPluginControlStrategy, \
"Strategy")
if (self._edPluginControlIndexingIndicators is not None):
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_3.preProcess: " + self._strPluginControlIndexingIndicators + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputCharacterisation = self.getDataInput()
self._xsDataCollection = xsDataInputCharacterisation.getDataCollection()
xsDataCrystal = None
xsDataSubWedgeList = self._xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_3.preProcess: No subwedges in input data."
EDVerbose.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam().getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
strErrorMessage = "Input flux is negative or close to zero. Execution of characterisation aborted."
EDVerbose.ERROR(strErrorMessage)
self.addErrorMessage("EDPluginControlCharacterisationv1_3.preProcess ERROR: " + strErrorMessage)
#self.addComment(strErrorMessage)
self.setFailure()
xsDataDiffractionPlan = self._xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup()
if (xsDataStringForcedSpaceGroup is not None):
self._xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
self._xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
self._edPluginControlIndexingIndicators.setDataInput(self._xsDataCollection, "dataCollection")
if self._xsDataCrystal is not None:
self._edPluginControlIndexingIndicators.setDataInput(self._xsDataCrystal, "crystal")
# Populate characterisation object
self._xsDataResultCharacterisation = XSDataResultCharacterisation()
self._xsDataResultCharacterisation.setDataCollection(XSDataCollection.parseString(self._xsDataCollection.marshal()))
def createDataInputCharacterisationFromDataSets(self, _pyListXSDataCCP4iDataSet):
"""
This method takes as input a list of ccp4i data sets. Each data set can contain several
paths to image files. It runs the EDPluginControlSubWedgeAssemble plugin to read the
experimental information from the image headers and then creates a single XSDataInputCharacterisation object.
"""
EDVerbose.DEBUG("EDPluginControlCCP4iv1_1.createDataInputCharacterisationFromDataSets")
xsDataInputCharacterisation = None
# We might have to run the plugin several times
edActionCluster = EDActionCluster()
pyListPluginControlSubWedgeAssemble = []
# Prepare the action cluster
iIndex = 1
for xsDataCCP4iDataSet in _pyListXSDataCCP4iDataSet:
edPluginControlSubWedgeAssemble = self.loadPlugin(self.__strPluginControlSubWedgeAssembleName, "SubWedgeAssemble-%02d" % iIndex)
edPluginControlSubWedgeAssemble.connectSUCCESS(self.doSuccessActionSubWedgeAssemble)
edPluginControlSubWedgeAssemble.connectFAILURE(self.doFailureActionSubWedgeAssemble)
# Prepare the input for the sub wedge assemble plugin
xsDataInputSubWedgeAssemble = XSDataInputSubWedgeAssemble()
for xsDataImageFile in xsDataCCP4iDataSet.getImageFile():
xsDataInputSubWedgeAssemble.addFile(xsDataImageFile)
edPluginControlSubWedgeAssemble.setDataInput(xsDataInputSubWedgeAssemble)
pyListPluginControlSubWedgeAssemble.append(edPluginControlSubWedgeAssemble)
self.addPluginToActionCluster(edPluginControlSubWedgeAssemble)
iIndex += 1
# Run the action cluster synchronously
self.executeActionCluster()
self.synchronizeActionCluster()
# Recuperate the output
for edPluginControlSubWedgeAssemble in pyListPluginControlSubWedgeAssemble:
if (edPluginControlSubWedgeAssemble.isFailure()):
self.setFailure()
else:
xsDataResultSubWedgeAssemble = edPluginControlSubWedgeAssemble.getDataOutput()
for xsDataSubWedge in xsDataResultSubWedgeAssemble.getSubWedge():
# Instantiate the xsDataInputCharacterisation object if it's not already done.
xsDataCollection = None
if (xsDataInputCharacterisation is None):
xsDataInputCharacterisation = XSDataInputCharacterisation()
else:
xsDataCollection = xsDataInputCharacterisation.getDataCollection()
if (xsDataCollection is None):
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataInputCharacterisation.setDataCollection(xsDataCollection)
return xsDataInputCharacterisation
def testCreatePyarchHtmlDirectoryPath(self):
strTestDataDir = self.getPluginTestsDataHome()
strTestFile = os.path.join(strTestDataDir, "EDHandlerESRFPyarchv1_0", "XSDataCollection_reference.xml")
strXml = self.readAndParseFile(strTestFile)
xsDataCollection = XSDataCollection.parseString(strXml)
strPyarchHtmlDirectoryPath = EDHandlerESRFPyarchv1_0.createPyarchHtmlDirectoryPath(xsDataCollection)
#print strPyarchHtmlDirectoryPath
strReferencePath = "/data/pyarch/id23eh1/Pasha/data/visitor/mx1199/id29/20111205/RAW_DATA/4ESR372D11/4ESR372D11_1_dnafiles"
EDAssert.equal(strReferencePath, strPyarchHtmlDirectoryPath, "Correct pyarch path")
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
self.DEBUG("EDPluginControlCharacterisationv1_2.preProcess")
# Load the plugins
self.__edPluginControlIndexingIndicators = self.loadPlugin(self.__strPluginControlIndexingIndicators, \
"Indexing")
self.__edPluginControlIndexingLabelit = self.loadPlugin(self.__strPluginControlIndexingLabelit, \
"IndexingLabelit")
self.__edPluginExecEvaluationIndexingMOSFLM = self.loadPlugin(self.__strPluginExecEvaluationIndexing, \
"IndexingEvalualtionMOSFLM")
self.__edPluginExecEvaluationIndexingLABELIT = self.loadPlugin(self.__strPluginExecEvaluationIndexing, \
"IndexingEvalualtionLABELIT")
self.__edPluginControlGeneratePrediction = self.loadPlugin(self.__strPluginControlGeneratePrediction, \
"GeneratePrediction")
self.__edPluginControlIntegration = self.loadPlugin(self.__strPluginControlIntegration, \
"Integration")
self.__edPluginControlStrategy = self.loadPlugin(self.__strPluginControlStrategy, \
"Strategy")
if (self.__edPluginControlIndexingIndicators is not None):
self.DEBUG("EDPluginControlCharacterisationv1_2.preProcess: " + self.__strPluginControlIndexingIndicators + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputCharacterisation = self.getDataInput()
self.__xsDataCollection = xsDataInputCharacterisation.getDataCollection()
xsDataCrystal = None
xsDataSubWedgeList = self.__xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_2.preProcess: No subwedges in input data."
self.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam().getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
strErrorMessage = "Input flux is negative or close to zero. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.addErrorMessage("EDPluginControlCharacterisationv1_2.preProcess ERROR: " + strErrorMessage)
#self.addComment(strErrorMessage)
self.setFailure()
xsDataDiffractionPlan = self.__xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup()
if (xsDataStringForcedSpaceGroup is not None):
self.__xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
self.__xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
self.__edPluginControlIndexingIndicators.setDataInput(self.__xsDataCollection, "dataCollection")
if self.__xsDataCrystal is not None:
self.__edPluginControlIndexingIndicators.setDataInput(self.__xsDataCrystal, "crystal")
# Populate characterisation object
self.__xsDataResultCharacterisation = XSDataResultCharacterisation()
self.__xsDataResultCharacterisation.setDataCollection(XSDataCollection.parseString(self.__xsDataCollection.marshal()))
def testCreatePyarchHtmlDirectoryPath(self):
strTestDataDir = self.getPluginTestsDataHome()
strTestFile = os.path.join(strTestDataDir, "EDHandlerESRFPyarchv1_0", "XSDataCollection_reference.xml")
strXml = self.readAndParseFile(strTestFile)
xsDataCollection = XSDataCollection.parseString(strXml)
strPyarchHtmlDirectoryPath = EDHandlerESRFPyarchv1_0.createPyarchHtmlDirectoryPath(xsDataCollection)
# print strPyarchHtmlDirectoryPath
strReferencePath = "/data/pyarch/2016/id30b/opid30b/20161214/RAW_DATA/Magda/Test_x1_2_dnafiles"
EDAssert.equal(strReferencePath, strPyarchHtmlDirectoryPath, "Correct pyarch path")
def testCreatePyarchHtmlDirectoryPath(self):
strTestDataDir = self.getPluginTestsDataHome()
strTestFile = os.path.join(strTestDataDir, "EDHandlerESRFPyarchv1_0", "XSDataCollection_reference.xml")
strXml = self.readAndParseFile(strTestFile)
xsDataCollection = XSDataCollection.parseString(strXml)
strPyarchHtmlDirectoryPath = EDHandlerESRFPyarchv1_0.createPyarchHtmlDirectoryPath(xsDataCollection)
#print strPyarchHtmlDirectoryPath
strReferencePath = "/data/pyarch/id23eh1/Pasha/data/visitor/mx1199/id29/20111205/RAW_DATA/4ESR372D11/4ESR372D11_1_dnafiles"
EDAssert.equal(strReferencePath, strPyarchHtmlDirectoryPath, "Correct pyarch path")
def getXSDataResultStrategy(self, _xsDataResultBest, _xsDataExperimentalCondition, _xsDataSample):
xsDataResultStrategy = XSDataResultStrategy()
#xsDataCollectionRunsBest = _xsDataResultBest.getCollectionRun()
xsDataCollectionPlansBest = _xsDataResultBest.getCollectionPlan()
for xsDataCollectionPlanBest in xsDataCollectionPlansBest:
xsDataCollectionPlan = XSDataCollectionPlan()
xsDataCollectionStrategy = XSDataCollection()
xsDataDoubleTransmission = xsDataCollectionPlanBest.getStrategySummary().getAttenuation()
for xsDataCollectionRunBest in xsDataCollectionPlanBest.getCollectionRun():
xsDataSubWedge = XSDataSubWedge()
strXmlStringDataExperimentalCondition = _xsDataExperimentalCondition.marshal()
xsDataExperimentalCondition = XSDataExperimentalCondition.parseString(strXmlStringDataExperimentalCondition)
xsDataExperimentalCondition.getBeam().setExposureTime(xsDataCollectionRunBest.getExposureTime())
xsDataExperimentalCondition.getBeam().setTransmission(xsDataDoubleTransmission)
xsDataExperimentalCondition.getDetector().setDistance(xsDataCollectionRunBest.getDistance())
xsDataExperimentalCondition.getGoniostat().setRotationAxisStart(xsDataCollectionRunBest.getPhiStart())
xsDataExperimentalCondition.getGoniostat().setOscillationWidth(xsDataCollectionRunBest.getPhiWidth())
fRotationAxisEnd = xsDataCollectionRunBest.getPhiStart().getValue() + xsDataCollectionRunBest.getNumberOfImages().getValue() * xsDataCollectionRunBest.getPhiWidth().getValue()
xsDataExperimentalCondition.getGoniostat().setRotationAxisEnd(XSDataAngle(fRotationAxisEnd))
xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
xsDataSubWedge.setSubWedgeNumber(xsDataCollectionRunBest.getCollectionRunNumber())
xsDataCollectionStrategy.addSubWedge(xsDataSubWedge)
xsDataCollectionStrategy.setSample(_xsDataSample)
xsDataCollectionPlan.setCollectionStrategy(xsDataCollectionStrategy)
xsDataStrategySummary = xsDataCollectionPlanBest.getStrategySummary()
xsDataCollectionPlan.setStrategySummary(xsDataStrategySummary)
xsDataStatistics = xsDataCollectionPlanBest.getStatisticalPrediction()
xsDataCollectionPlan.setStatistics(xsDataStatistics)
xsDataCollectionPlan.setCollectionPlanNumber(xsDataCollectionPlanBest.getCollectionPlanNumber())
xsDataResultStrategy.addCollectionPlan(xsDataCollectionPlan)
return xsDataResultStrategy
def generatePredictionImageList(self, _edPluginGeneratePrediction, _xsDataCollection, _xsDataIndexingResult):
"""
Generate a list containing the prediction images
"""
self.verboseDebug("EDPluginControlIndexingv10.generatePredictionImageList")
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(_xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(_xsDataIndexingResult.getSelectedSolution().marshal()))
_edPluginGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
_edPluginGeneratePrediction.executeSynchronous()
def doSuccessEvaluationIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlCharacterisationv1_4.doSuccessEvaluationIndexingMOSFLM"
)
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlCharacterisationv1_4.doSuccessEvaluationIndexingMOSFLM"
)
# Retrieve status messages (if any)
if self._edPluginExecEvaluationIndexingMOSFLM.hasDataOutput(
"statusMessageIndexing"):
self.addStatusMessage(
"MOSFLM: " +
self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput(
"statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexingSuccess = self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput(
"indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self._edPluginExecEvaluationIndexingMOSFLM.getDataOutput(
"indexingResult")[0]
self._xsDataResultCharacterisation.setIndexingResult(
xsDataIndexingResult)
self._strCharacterisationShortSummary += self.generateIndexingShortSummary(
xsDataIndexingResult)
xsDataCollection = self._xsDataResultCharacterisation.getDataCollection(
)
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(
XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(
XSDataIndexingSolutionSelected.parseString(
xsDataIndexingResult.getSelectedSolution().marshal()))
self._edPluginControlGeneratePrediction.setDataInput(
xsDataGeneratePredictionInput)
if self._edPluginControlIndexingIndicators.hasDataOutput(
"indexingShortSummary"):
self._strCharacterisationShortSummary += self._edPluginControlIndexingIndicators.getDataOutput(
"indexingShortSummary")[0].getValue()
# Start the generation of prediction images - we synchronize in the post-process
self._edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
strErrorMessage = "Execution of indexing with MOSFLM failed."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage(strErrorMessage)
self.setFailure()
self.generateExecutiveSummary(self)
if self._strStatusMessage != None:
self.setDataOutput(XSDataString(self._strStatusMessage),
"statusMessage")
self.writeDataOutput()
def testCreatePyarchHtmlDirectoryPath(self):
strTestDataDir = self.getPluginTestsDataHome()
strTestFile = os.path.join(strTestDataDir, "EDHandlerESRFPyarchv1_0",
"XSDataCollection_reference.xml")
strXml = self.readAndParseFile(strTestFile)
xsDataCollection = XSDataCollection.parseString(strXml)
strPyarchHtmlDirectoryPath = EDHandlerESRFPyarchv1_0.createPyarchHtmlDirectoryPath(
xsDataCollection)
# print strPyarchHtmlDirectoryPath
strReferencePath = "/data/pyarch/2016/id30b/opid30b/20161214/RAW_DATA/Magda/Test_x1_2_dnafiles"
EDAssert.equal(strReferencePath, strPyarchHtmlDirectoryPath,
"Correct pyarch path")
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
EDVerbose.DEBUG("EDPluginControlCharacterisationv2_0.preProcess...")
self.edPluginIndexing = self.loadPlugin(self.strPluginIndexingName,
"Indexing")
self.edPluginIntegration = self.loadPlugin(
self.strPluginIntegrationName, "Integration")
self.edPluginStrategy = self.loadPlugin(self.strPluginStrategyName,
"Strategy")
if (self.edPluginIndexing is not None):
EDVerbose.DEBUG(
"EDPluginControlCharacterisationv2_0.preProcess: " +
self.strPluginIndexingName + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputStrategy = self.getDataInput(
"mxv1InputCharacterisation")[0]
xsDataCollection = xsDataInputStrategy.getDataCollection()
#xsDataSample = xsDataCollection.getSample()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
xsDataExperimentalCondition = xsDataSubWedgeList[
0].getExperimentalCondition()
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(
xsDataExperimentalCondition)
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup(
)
if (xsDataStringForcedSpaceGroup is not None):
xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataIndexingInput.setCrystal(xsDataCrystal)
self.edPluginIndexing.setDataInput(xsDataIndexingInput)
# Populate characterisation object
self.xsDataResultCharacterisationv2_0 = XSDataResultCharacterisationv2_0(
)
self.xsDataResultCharacterisation = XSDataResultCharacterisation()
self.xsDataResultCharacterisationv2_0.setMxv1ResultCharacterisation(
self.xsDataResultCharacterisation)
self.xsDataResultCharacterisation.setDataCollection(
XSDataCollection.parseString(xsDataCollection.marshal()))
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_1.preProcess...")
self.__edPluginIndexing = self.loadPlugin(self.__strPluginIndexingName , "Indexing")
self.__edPluginIntegration = self.loadPlugin(self.__strPluginIntegrationName, "Integration")
self.__edPluginStrategy = self.loadPlugin(self.__strPluginStrategyName , "Strategy")
if (self.__edPluginIndexing is not None):
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_1.preProcess: " + self.__strPluginIndexingName + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputStrategy = self.getDataInput()
xsDataCollection = xsDataInputStrategy.getDataCollection()
xsDataSample = xsDataCollection.getSample()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_1.preProcess: No subwedges in input data."
EDVerbose.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam().getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
pyStrErrorMessage = "EDPluginControlCharacterisationv1_1.preProcess ERROR: Input flux is negative or close to zero. Execution of characterisation aborted."
EDVerbose.ERROR(pyStrErrorMessage)
self.addErrorMessage(pyStrErrorMessage)
self.setFailure()
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(xsDataExperimentalCondition)
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup()
if (xsDataStringForcedSpaceGroup is not None):
xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataIndexingInput.setCrystal(xsDataCrystal)
self.__edPluginIndexing.setDataInput(xsDataIndexingInput)
# Populate characterisation object
self.__xsDataResultCharacterisation = XSDataResultCharacterisation()
self.__xsDataResultCharacterisation.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
def testSetDataInput(self):
edPluginControlCharacterisationv10 = self.createPlugin()
xsPluginItemGood01 = self.getPluginConfiguration(os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml"))
edPluginControlCharacterisationv10.setConfiguration(xsPluginItemGood01)
edPluginControlCharacterisationv10.configure()
edStringXMLInput = self.readAndParseFile(self.strReferenceInputFile)
edPluginControlCharacterisationv10.setDataInput(edStringXMLInput)
from XSDataMXv1 import XSDataCollection
xsDataCollectionReference = XSDataCollection.parseString(edStringXMLInput)
xsDataCharacterisationv10Input = edPluginControlCharacterisationv10.getDataInput()
EDAssert.equal(xsDataCollectionReference.marshal(), xsDataCharacterisationv10Input.marshal())
def createInputCharacterisationFromSubWedges(self):
self.DEBUG("EDPluginControlInterfacev1_2.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.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)
self.xsDataInputCharacterisation.setToken(self.xsDataToken)
def createInputCharacterisationFromSubWedges(self):
self.DEBUG("EDPluginControlInterfacev2_0.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)
xsDataDiffractionPlan = XSDataDiffractionPlan()
if (not xsDataResultSubWedgeAssemble is None):
pyListSubWedge = xsDataResultSubWedgeAssemble.getSubWedge()
xsDataCollection.setSubWedge(pyListSubWedge)
for xsDataSubWedge in pyListSubWedge:
if (self.strComplexity is not None):
xsDataDiffractionPlan.setComplexity(XSDataString(self.strComplexity))
if (self.fFlux is not None):
xsDataSubWedge.getExperimentalCondition().getBeam().setFlux(XSDataFloat(self.fFlux))
if (self.fBeamSize is not None):
xsDataSize = XSDataSize()
xsDataSize.setX(XSDataLength(self.fBeamSize))
xsDataSize.setY(XSDataLength(self.fBeamSize))
xsDataSubWedge.getExperimentalCondition().getBeam().setSize(xsDataSize)
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(XSDataFloat(self.fMinExposureTimePerImage))
if (self.fTransmission is not None):
xsDataSubWedge.getExperimentalCondition().getBeam().setTransmission(XSDataDouble(self.fTransmission))
if (self.strForcedSpaceGroup is not None):
xsDataDiffractionPlan.setForcedSpaceGroup(XSDataString(self.strForcedSpaceGroup))
xsDataDiffractionPlan.setAnomalousData(XSDataBoolean(self.bAnomalousData))
xsDataDiffractionPlan.setMaxExposureTimePerDataCollection(XSDataTime(self.fMaxExposureTimePerDataCollection))
if (self.strStrategyOption is not None):
xsDataDiffractionPlan.setStrategyOption(XSDataString(self.strStrategyOption))
xsDataCollection.setDiffractionPlan(xsDataDiffractionPlan)
self.xsDataInputCharacterisation.setDataCollection(xsDataCollection)
def doSuccessReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
xsDataResultReadImageHeader = self.edPluginControlReadImageHeader.getDataOutput()
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.getSubWedge()
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
self.xsDataCollection.setDiffractionPlan(self.xsDataDiffractionPlan)
xsDataInputControlImageQualityIndicators = XSDataInputControlImageQualityIndicators()
xsDataInputControlImageQualityIndicators.addImage(XSDataImage(path=XSDataString(self.strImageFile)))
self.edPluginControlIndicators.setDataInput(xsDataInputControlImageQualityIndicators)
self.edPluginControlIndicators.connectSUCCESS(self.doSuccessIndicators)
self.edPluginControlIndicators.connectFAILURE(self.doFailureIndicators)
self.executePluginSynchronous(self.edPluginControlIndicators)
def doSuccessEvaluationIndexingLABELIT(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_5.doSuccessEvaluationIndexingLABELIT")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv1_5.doSuccessEvaluationIndexingLABELIT")
# Retrieve status messages (if any)
if self._edPluginExecEvaluationIndexingLABELIT.hasDataOutput("statusMessageIndexing"):
self.addStatusMessage("Labelit: " + self._edPluginExecEvaluationIndexingLABELIT.getDataOutput("statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexingSuccess = self._edPluginExecEvaluationIndexingLABELIT.getDataOutput("indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self._edPluginExecEvaluationIndexingLABELIT.getDataOutput("indexingResult")[0]
self._xsDataResultCharacterisation.setIndexingResult(xsDataIndexingResult)
if self._edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
self._strCharacterisationShortSummary += self._edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
xsDataCollection = self._xsDataResultCharacterisation.getDataCollection()
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(xsDataIndexingResult.getSelectedSolution().marshal()))
self._edPluginControlGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
if self._edPluginControlIndexingIndicators.hasDataOutput("indexingShortSummary"):
indexingShortSummary = self._edPluginControlIndexingIndicators.getDataOutput("indexingShortSummary")[0].getValue()
self._strCharacterisationShortSummary += indexingShortSummary
self.sendMessageToMXCuBE(indexingShortSummary)
# Start the generation of prediction images - we synchronize in the post-process
self._edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
if self._iNoImagesWithDozorScore > 0:
strWarningMessage = "Execution of Indexing and Indicators plugin failed - trying to index with MOSFLM."
self.WARNING(strWarningMessage)
self.sendMessageToMXCuBE(strWarningMessage, "warning")
self.addWarningMessage(strWarningMessage)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.dataCollection = self._xsDataCollection
xsDataIndexingInput.experimentalCondition = self._xsDataCollection.subWedge[0].experimentalCondition
xsDataIndexingInput.crystal = self._xsDataCrystal
self._edPluginControlIndexingMOSFLM.setDataInput(xsDataIndexingInput)
self.executePluginSynchronous(self._edPluginControlIndexingMOSFLM)
else:
strErrorMessage = "Execution of indexing with Labelit failed."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage(strErrorMessage)
self.setFailure()
self.generateExecutiveSummary(self)
if self._strStatusMessage != None:
self.setDataOutput(XSDataString(self._strStatusMessage), "statusMessage")
self.writeDataOutput()
def doSuccessActionIndexing(self, _edPlugin=None):
self.verboseDebug("EDPluginControlIndexingv10.doSuccessActionIndexing")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlIndexingv10.doSuccessActionIndexing")
# Retrieve the output from the plugin
self.xsDataIndexingResult = self.getDataIndexingResult(_edPlugin)
self.generateShortSummary()
# Add the list of images to the results
xsDataListImage = self.generateImageList(self.xsDataCollection)
self.xsDataIndexingResult.setImage(xsDataListImage)
if (self.bGeneratePredictionImage):
# Generate prediction images
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(XSDataCollection.parseString(self.xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(XSDataIndexingSolutionSelected.parseString(self.xsDataIndexingResult.getSelectedSolution().marshal()))
self.edPluginGeneratePrediction.setDataInput(xsDataGeneratePredictionInput)
self.edPluginGeneratePrediction.executeSynchronous()
def testSetDataInput(self):
edPluginControlCharacterisationv10 = self.createPlugin()
xsPluginItemGood01 = self.getPluginConfiguration(
os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml"))
edPluginControlCharacterisationv10.setConfiguration(xsPluginItemGood01)
edPluginControlCharacterisationv10.configure()
edStringXMLInput = self.readAndParseFile(self.strReferenceInputFile)
edPluginControlCharacterisationv10.setDataInput(edStringXMLInput)
from XSDataMXv1 import XSDataCollection
xsDataCollectionReference = XSDataCollection.parseString(
edStringXMLInput)
xsDataCharacterisationv10Input = edPluginControlCharacterisationv10.getDataInput(
)
EDAssert.equal(xsDataCollectionReference.marshal(),
xsDataCharacterisationv10Input.marshal())
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
EDVerbose.DEBUG("EDPluginControlCharacterisationv2_0.preProcess...")
self.edPluginIndexing = self.loadPlugin(self.strPluginIndexingName, "Indexing")
self.edPluginIntegration = self.loadPlugin(self.strPluginIntegrationName, "Integration")
self.edPluginStrategy = self.loadPlugin(self.strPluginStrategyName, "Strategy")
if self.edPluginIndexing is not None:
EDVerbose.DEBUG(
"EDPluginControlCharacterisationv2_0.preProcess: "
+ self.strPluginIndexingName
+ " Found... setting Data Input"
)
# create Data Input for indexing
xsDataInputStrategy = self.getDataInput("mxv1InputCharacterisation")[0]
xsDataCollection = xsDataInputStrategy.getDataCollection()
# xsDataSample = xsDataCollection.getSample()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(xsDataExperimentalCondition)
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup()
if xsDataStringForcedSpaceGroup is not None:
xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataIndexingInput.setCrystal(xsDataCrystal)
self.edPluginIndexing.setDataInput(xsDataIndexingInput)
# Populate characterisation object
self.xsDataResultCharacterisationv2_0 = XSDataResultCharacterisationv2_0()
self.xsDataResultCharacterisation = XSDataResultCharacterisation()
self.xsDataResultCharacterisationv2_0.setMxv1ResultCharacterisation(self.xsDataResultCharacterisation)
self.xsDataResultCharacterisation.setDataCollection(
XSDataCollection.parseString(xsDataCollection.marshal())
)
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 createInputCharacterisationFromSubWedges(self):
EDVerbose.DEBUG(
"EDPluginControlInterfacev2_0.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)
xsDataDiffractionPlan = XSDataDiffractionPlan()
if (not xsDataResultSubWedgeAssemble is None):
pyListSubWedge = xsDataResultSubWedgeAssemble.getSubWedge()
xsDataCollection.setSubWedge(pyListSubWedge)
for xsDataSubWedge in pyListSubWedge:
if (self.strComplexity is not None):
xsDataDiffractionPlan.setComplexity(
XSDataString(self.strComplexity))
if (self.fFlux is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setFlux(XSDataFloat(self.fFlux))
if (self.fBeamSize is not None):
xsDataSize = XSDataSize()
xsDataSize.setX(XSDataLength(self.fBeamSize))
xsDataSize.setY(XSDataLength(self.fBeamSize))
xsDataSubWedge.getExperimentalCondition().getBeam(
).setSize(xsDataSize)
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(
XSDataFloat(self.fMinExposureTimePerImage))
if (self.fTransmission is not None):
xsDataSubWedge.getExperimentalCondition().getBeam(
).setTransmission(XSDataDouble(self.fTransmission))
if (self.strForcedSpaceGroup is not None):
xsDataDiffractionPlan.setForcedSpaceGroup(
XSDataString(self.strForcedSpaceGroup))
xsDataDiffractionPlan.setAnomalousData(
XSDataBoolean(self.bAnomalousData))
xsDataDiffractionPlan.setMaxExposureTimePerDataCollection(
XSDataTime(self.fMaxExposureTimePerDataCollection))
if (self.strStrategyOption is not None):
xsDataDiffractionPlan.setStrategyOption(
XSDataString(self.strStrategyOption))
xsDataCollection.setDiffractionPlan(xsDataDiffractionPlan)
self.xsDataInputCharacterisation.setDataCollection(xsDataCollection)
def getXSDataStrategyResult(self, _xsDataBestOutput, _xsDataExperimentalCondition, _xsDataSample):
xsDataStrategyResult = XSDataStrategyResult()
#xsDataCollectionRunsBest = _xsDataBestOutput.getCollectionRun()
xsDataCollectionPlansBest = _xsDataBestOutput.getCollectionPlan()
for xsDataCollectionPlanBest in xsDataCollectionPlansBest:
xsDataCollectionPlan = XSDataCollectionPlan()
xsDataCollectionStrategy = XSDataCollection()
for xsDataCollectionRunBest in xsDataCollectionPlanBest.getCollectionRun():
xsDataSubWedge = XSDataSubWedge()
strXmlStringDataExperimentalCondition = _xsDataExperimentalCondition.marshal()
xsDataExperimentalCondition = XSDataExperimentalCondition.parseString(strXmlStringDataExperimentalCondition)
xsDataExperimentalCondition.getBeam().setExposureTime(xsDataCollectionRunBest.getExposureTime())
xsDataExperimentalCondition.getDetector().setDistance(xsDataCollectionRunBest.getDistance())
xsDataExperimentalCondition.getGoniostat().setRotationAxisStart(xsDataCollectionRunBest.getPhiStart())
xsDataExperimentalCondition.getGoniostat().setOscillationWidth(xsDataCollectionRunBest.getPhiWidth())
fRotationAxisEnd = xsDataCollectionRunBest.getPhiStart().getValue() + xsDataCollectionRunBest.getNumberOfImages().getValue() * xsDataCollectionRunBest.getPhiWidth().getValue()
xsDataExperimentalCondition.getGoniostat().setRotationAxisEnd(XSDataAngle(fRotationAxisEnd))
xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
xsDataCollectionStrategy.addSubWedge(xsDataSubWedge)
xsDataCollectionStrategy.setSample(_xsDataSample)
xsDataCollectionPlan.setCollectionStrategy(xsDataCollectionStrategy)
xsDataStrategySummary = xsDataCollectionPlanBest.getStrategySummary()
xsDataCollectionPlan.setStrategySummary(xsDataStrategySummary)
xsDataStatistics = xsDataCollectionPlanBest.getStatisticalPrediction()
xsDataCollectionPlan.setStatistics(xsDataStatistics)
xsDataStrategyResult.addCollectionPlan(xsDataCollectionPlan)
return xsDataStrategyResult
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.process")
EDUtilsParallel.initializeNbThread()
# Check batch size
if self.dataInput.batchSize is None:
batchSize = 1
else:
batchSize = self.dataInput.batchSize.value
self.screen("Batch size: {0}".format(batchSize))
# Check if we should do distlSignalStrength:
bDoDistlSignalStrength = True
if self.dataInput.doDistlSignalStrength is not None:
if not self.dataInput.doDistlSignalStrength.value:
bDoDistlSignalStrength = False
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators()
listPluginDistl = []
listPluginDozor = []
listBatch = []
indexBatch = 0
listH5FilePath = []
ispybDataCollection = None
for xsDataImage in listXSDataImage:
strPathToImage = xsDataImage.path.value
# If Eiger, just wait for the h5 file
if "id30a3" in strPathToImage:
h5MasterFilePath, h5DataFilePath, hdf5ImageNumber = self.getH5FilePath(strPathToImage, batchSize)
# print(h5FilePath)
# print(hdf5ImageNumber)
if not h5DataFilePath in listH5FilePath:
self.screen("ID30a3 Eiger data, waiting for master and data files...")
listH5FilePath.append(h5DataFilePath)
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(h5DataFilePath))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.screen("Waiting for file {0}".format(h5DataFilePath))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
# hdf5FilePath = strPathToImage.replace(".cbf", ".h5")
ispybDataCollection = None
time.sleep(1)
indexLoop = 1
continueLoop = True
while continueLoop:
xsDataInputControlH5ToCBF = XSDataInputControlH5ToCBF()
xsDataInputControlH5ToCBF.hdf5File = XSDataFile(XSDataString(strPathToImage))
imageNumber = EDUtilsImage.getImageNumber(strPathToImage)
xsDataInputControlH5ToCBF.imageNumber = XSDataInteger(imageNumber)
xsDataInputControlH5ToCBF.hdf5ImageNumber = XSDataInteger(hdf5ImageNumber)
xsDataInputControlH5ToCBF.ispybDataCollection = ispybDataCollection
edPluginControlH5ToCBF = self.loadPlugin(self.strPluginControlH5ToCBF, "ControlH5ToCBF_%04d_%02d" % (imageNumber, indexLoop))
edPluginControlH5ToCBF.dataInput = xsDataInputControlH5ToCBF
edPluginControlH5ToCBF.executeSynchronous()
cbfFile = edPluginControlH5ToCBF.dataOutput.outputCBFFile
# print(cbfFile)
# print(indexLoop)
if cbfFile is not None:
strPathToImage = cbfFile.path.value
# print(cbfFile.path.value)
if os.path.exists(strPathToImage):
self.screen("Image has been converted to CBF file: {0}".format(strPathToImage))
continueLoop = False
# print(continueLoop)
if continueLoop:
self.screen("Still waiting for converting to CBF file: {0}".format(strPathToImage))
indexLoop += 1
time.sleep(5)
if indexLoop > 10:
continueLoop = False
ispybDataCollection = edPluginControlH5ToCBF.dataOutput.ispybDataCollection
elif not os.path.exists(strPathToImage):
self.screen("Waiting for file {0}".format(strPathToImage))
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(strPathToImage))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(strPathToImage):
strError = "Time-out while waiting for image %s" % strPathToImage
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
# Check if we should run distl.signalStrength
xsDataImageNew = XSDataImage(XSDataString(strPathToImage))
edPluginPluginExecImageQualityIndicator = None
if bDoDistlSignalStrength:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(strPluginName)
self.listPluginExecImageQualityIndicator.append(edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength()
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImageNew)
edPluginPluginExecImageQualityIndicator.setDataInput(xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listPluginDistl.append((xsDataImageNew.copy(), edPluginPluginExecImageQualityIndicator))
listBatch.append(xsDataImageNew.copy())
if len(listBatch) == batchSize:
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor)
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append((edPluginControlDozor, listBatch))
listBatch = []
if len(listBatch) > 0:
# Process the remaining images...
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor)
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append([edPluginControlDozor, listBatch])
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators()
for (xsDataImage, edPluginPluginExecImageQualityIndicator) in listPluginDistl:
xsDataImageQualityIndicators = XSDataImageQualityIndicators()
xsDataImageQualityIndicators.image = xsDataImage.copy()
if edPluginPluginExecImageQualityIndicator is not None:
edPluginPluginExecImageQualityIndicator.synchronize()
if edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators is not None:
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(xsDataImageQualityIndicators)
for (edPluginControlDozor, listBatch) in listPluginDozor:
edPluginControlDozor.synchronize()
for imageDozor in edPluginControlDozor.dataOutput.imageDozor:
for xsDataImageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if xsDataImageQualityIndicators.image.path.value == imageDozor.image.path.value:
xsDataImageQualityIndicators.dozor_score = imageDozor.mainScore
xsDataImageQualityIndicators.dozorSpotFile = imageDozor.spotFile
if imageDozor.spotFile is not None:
if os.path.exists(imageDozor.spotFile.path.value):
numpyArray = numpy.loadtxt(imageDozor.spotFile.path.value, skiprows=3)
xsDataImageQualityIndicators.dozorSpotList = XSDataString(base64.b64encode(numpyArray.tostring()))
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[0]))
if len(numpyArray.shape) > 1:
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[1]))
xsDataImageQualityIndicators.dozorSpotsIntAver = imageDozor.spotsIntAver
xsDataImageQualityIndicators.dozorSpotsResolution = imageDozor.spotsResolution
if self.xsDataResultControlImageQualityIndicators.inputDozor is None:
if edPluginControlDozor.dataOutput.inputDozor is not None:
self.xsDataResultControlImageQualityIndicators.inputDozor = XSDataDozorInput().parseString(
edPluginControlDozor.dataOutput.inputDozor.marshal())
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have dozor_score from all images:
has_dozor_score = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.dozor_score is None:
has_dozor_score = False
if has_dozor_score:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.dozor_score.value)
else:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([edPluginMOSFLMIndexing, xsDataResultControlImageQualityIndicator])
edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
class EDPluginControlImageQualityIndicatorsv1_3(EDPluginControl):
"""
This plugin that control the plugin that generates the image quality indicators.
"""
def __init__(self):
EDPluginControl.__init__(self)
self.strPluginMXWaitFileName = "EDPluginMXWaitFilev1_1"
self.strPluginName = "EDPluginDistlSignalStrengthv1_1"
self.strPluginNameThinClient = "EDPluginDistlSignalStrengthThinClientv1_1"
self.strPluginNameControlBackground3D = "EDPluginControlBackground3Dv1_0"
self.strISPyBPluginName = "EDPluginISPyBStoreListOfImageQualityIndicatorsv1_4"
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.edPluginReadImageHeader = None
self.edPluginControlBackground3D = None
self.setXSDataInputClass(XSDataInputControlImageQualityIndicators)
self.listPluginExecImageQualityIndicator = []
self.listPluginControlBackground3D = []
self.xsDataResultControlImageQualityIndicators = None
self.edPluginMXWaitFile = None
# Default time out for wait file
self.fMXWaitFileTimeOut = 30 # s
# Flag for using the thin client - disabled as of 2016/07/20
self.bUseThinClient = False
self.edPluginISPyB = None
self.listPluginMOSFLM = []
self.defaultMinImageSize = 1000000
self.minImageSize = None
def checkParameters(self):
"""
Checks the mandatory parameters
"""
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_3.checkParameters")
self.checkMandatoryParameters(self.getDataInput().getImage(), "Image")
def configure(self, _edPlugin=None):
EDPluginControl.configure(self)
self.DEBUG("EDPluginControlReadImageHeaderv10.configure")
self.fMXWaitFileTimeOut = float(
self.config.get("MXWaitFileTimeOut", self.fMXWaitFileTimeOut))
self.minImageSize = self.config.get("minImageSize")
if self.minImageSize is None:
self.minImageSize = self.defaultMinImageSize
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_3.process")
EDUtilsParallel.initializeNbThread()
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators(
)
listPlugin = []
for xsDataImage in listXSDataImage:
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(5000000))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" %
self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
strError = "Time-out while waiting for image %s" % xsDataImage.path.value
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(
strPluginName)
self.listPluginExecImageQualityIndicator.append(
edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength(
)
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImage)
edPluginPluginExecImageQualityIndicator.setDataInput(
xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
edPluginControlBackground3D = self.loadPlugin(
self.strPluginNameControlBackground3D)
listPlugin.append([
edPluginPluginExecImageQualityIndicator,
edPluginControlBackground3D
])
xsDataInputControlBackground3D = XSDataInputControlBackground3D(
)
xsDataInputControlBackground3D.addImage(
XSDataFile(xsDataImage.path))
edPluginControlBackground3D.dataInput = xsDataInputControlBackground3D
edPluginControlBackground3D.execute()
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators(
)
for pluginPair in listPlugin:
edPluginPluginExecImageQualityIndicator = pluginPair[0]
edPluginControlBackground3D = pluginPair[1]
edPluginPluginExecImageQualityIndicator.synchronize()
edPluginControlBackground3D.synchronize()
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
if edPluginControlBackground3D.dataOutput.imageBackground != []:
xsDataImageQualityIndicators.background3D_estimate = edPluginControlBackground3D.dataOutput.imageBackground[
0].estimate
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(
xsDataImageQualityIndicators)
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have background3D_estimate from all images:
has_background3D_estimate = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.background3D_estimate is None:
has_background3D_estimate = False
if has_background3D_estimate:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.
background3D_estimate.value)
else:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.
totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(
xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(
self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(
self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(
self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([
edPluginMOSFLMIndexing,
xsDataResultControlImageQualityIndicator
])
edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
# print xsDataIndexingResult.marshal()
# xsDataResultISPyB = edPluginISPyB.dataOutput
# if xsDataResultISPyB is not None:
# print xsDataResultISPyB.marshal()
def finallyProcess(self, _edPlugin=None):
EDPluginControl.finallyProcess(self, _edPlugin)
if self.edPluginISPyB is not None:
# Synchronize ISPyB plugin
self.DEBUG(
"EDPluginControlImageQualityIndicatorsv1_3.finallyProcess")
self.edPluginISPyB.synchronize()
listId = []
for xsDataInteger in self.edPluginISPyB.dataOutput.imageQualityIndicatorsId:
listId.append(xsDataInteger.value)
self.DEBUG("ISPyB imageQualityIndicatorIds = %r" % listId)
self.setDataOutput(self.xsDataResultControlImageQualityIndicators)
def generateExecutiveSummary(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlImageQualityIndicatorsv1_3.generateExecutiveSummary"
)
self.addErrorWarningMessagesToExecutiveSummary(
"Image quality indicator plugin execution failure! Error messages: "
)
self.addExecutiveSummaryLine(
"Summary of image quality indicators with %s :" %
self.strPluginName)
for edPluginPluginExecImageQualityIndicator in self.listPluginExecImageQualityIndicator:
self.addExecutiveSummaryLine("")
if edPluginPluginExecImageQualityIndicator is not None:
self.appendExecutiveSummary(
edPluginPluginExecImageQualityIndicator,
"Distl.signal_strength : ",
_bAddSeparator=False)
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_3.process")
EDUtilsParallel.initializeNbThread()
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators(
)
listPlugin = []
for xsDataImage in listXSDataImage:
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(5000000))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" %
self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
strError = "Time-out while waiting for image %s" % xsDataImage.path.value
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(
strPluginName)
self.listPluginExecImageQualityIndicator.append(
edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength(
)
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImage)
edPluginPluginExecImageQualityIndicator.setDataInput(
xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
edPluginControlBackground3D = self.loadPlugin(
self.strPluginNameControlBackground3D)
listPlugin.append([
edPluginPluginExecImageQualityIndicator,
edPluginControlBackground3D
])
xsDataInputControlBackground3D = XSDataInputControlBackground3D(
)
xsDataInputControlBackground3D.addImage(
XSDataFile(xsDataImage.path))
edPluginControlBackground3D.dataInput = xsDataInputControlBackground3D
edPluginControlBackground3D.execute()
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators(
)
for pluginPair in listPlugin:
edPluginPluginExecImageQualityIndicator = pluginPair[0]
edPluginControlBackground3D = pluginPair[1]
edPluginPluginExecImageQualityIndicator.synchronize()
edPluginControlBackground3D.synchronize()
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
if edPluginControlBackground3D.dataOutput.imageBackground != []:
xsDataImageQualityIndicators.background3D_estimate = edPluginControlBackground3D.dataOutput.imageBackground[
0].estimate
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(
xsDataImageQualityIndicators)
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have background3D_estimate from all images:
has_background3D_estimate = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.background3D_estimate is None:
has_background3D_estimate = False
if has_background3D_estimate:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.
background3D_estimate.value)
else:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.
totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(
xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(
self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(
self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(
self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([
edPluginMOSFLMIndexing,
xsDataResultControlImageQualityIndicator
])
edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
def getXSDataResultStrategy(self, _xsDataResultBest,
_xsDataExperimentalCondition, _xsDataSample):
xsDataResultStrategy = XSDataResultStrategy()
listXSDataBestCollectionPlan = _xsDataResultBest.getCollectionPlan()
for xsDataBestCollectionPlan in listXSDataBestCollectionPlan:
xsDataCollectionPlan = XSDataCollectionPlan()
xsDataCollectionStrategy = XSDataCollection()
xsDataBestStrategySummary = xsDataBestCollectionPlan.getStrategySummary(
)
xsDataDoubleTransmission = xsDataBestStrategySummary.getTransmission(
)
for xsDataBestCollectionRun in xsDataBestCollectionPlan.getCollectionRun(
):
xsDataSubWedge = XSDataSubWedge()
strXmlStringDataExperimentalCondition = _xsDataExperimentalCondition.marshal(
)
xsDataExperimentalCondition = XSDataExperimentalCondition.parseString(
strXmlStringDataExperimentalCondition)
xsDataExperimentalCondition.getBeam().setExposureTime(
xsDataBestCollectionRun.getExposureTime())
if (xsDataBestCollectionRun.getTransmission() is None):
xsDataExperimentalCondition.getBeam().setTransmission(
xsDataDoubleTransmission)
else:
xsDataExperimentalCondition.getBeam().setTransmission(
xsDataBestCollectionRun.getTransmission())
xsDataExperimentalCondition.getDetector().setDistance(
xsDataBestStrategySummary.getDistance())
xsDataExperimentalCondition.getGoniostat(
).setRotationAxisStart(xsDataBestCollectionRun.getPhiStart())
xsDataExperimentalCondition.getGoniostat().setOscillationWidth(
xsDataBestCollectionRun.getPhiWidth())
fRotationAxisEnd = xsDataBestCollectionRun.getPhiStart(
).getValue(
) + xsDataBestCollectionRun.getNumberOfImages().getValue(
) * xsDataBestCollectionRun.getPhiWidth().getValue()
xsDataExperimentalCondition.getGoniostat().setRotationAxisEnd(
XSDataAngle(fRotationAxisEnd))
xsDataSubWedge.setExperimentalCondition(
xsDataExperimentalCondition)
xsDataSubWedge.setSubWedgeNumber(
xsDataBestCollectionRun.getCollectionRunNumber())
if xsDataBestCollectionRun.getCrystalPosition():
xsDataSubWedge.setAction(
XSDataString("Crystal position: %d" %
xsDataBestCollectionRun.
getCrystalPosition().getValue()))
else:
xsDataSubWedge.setAction(
xsDataBestCollectionRun.getAction())
xsDataCollectionStrategy.addSubWedge(xsDataSubWedge)
xsDataCollectionStrategy.setSample(_xsDataSample)
xsDataCollectionPlan.setCollectionStrategy(
xsDataCollectionStrategy)
xsDataStrategySummary = XSDataStrategySummary()
xsDataStrategySummary.setCompleteness(
xsDataBestStrategySummary.getCompleteness())
xsDataStrategySummary.setISigma(
xsDataBestStrategySummary.getISigma())
xsDataStrategySummary.setRankingResolution(
xsDataBestStrategySummary.getRankingResolution())
xsDataStrategySummary.setRedundancy(
xsDataBestStrategySummary.getRedundancy())
xsDataStrategySummary.setResolution(
xsDataBestStrategySummary.getResolution())
xsDataStrategySummary.setResolutionReasoning(
xsDataBestStrategySummary.getResolutionReasoning())
xsDataStrategySummary.setTotalDataCollectionTime(
xsDataBestStrategySummary.getTotalDataCollectionTime())
xsDataStrategySummary.setTotalExposureTime(
xsDataBestStrategySummary.getTotalExposureTime())
xsDataCollectionPlan.setStrategySummary(xsDataStrategySummary)
if xsDataBestCollectionPlan.getStatisticalPrediction() is not None:
xsDataStatisticsStrategy = XSDataStatisticsStrategy.parseString(
xsDataBestCollectionPlan.getStatisticalPrediction(
).marshal())
xsDataCollectionPlan.setStatistics(xsDataStatisticsStrategy)
xsDataCollectionPlan.setCollectionPlanNumber(
xsDataBestCollectionPlan.getCollectionPlanNumber())
xsDataResultStrategy.addCollectionPlan(xsDataCollectionPlan)
if _xsDataResultBest.getPathToLogFile() != None:
xsDataResultStrategy.setBestLogFile(
_xsDataResultBest.getPathToLogFile())
return xsDataResultStrategy
class EDPluginControlImageQualityIndicatorsv1_2(EDPluginControl):
"""
This plugin that control the plugin that generates the image quality indicators.
"""
def __init__(self):
EDPluginControl.__init__(self)
self.strPluginMXWaitFileName = "EDPluginMXWaitFilev1_1"
self.strPluginName = "EDPluginDistlSignalStrengthv1_1"
self.strPluginNameThinClient = "EDPluginDistlSignalStrengthv1_1"
self.strISPyBPluginName = "EDPluginISPyBStoreListOfImageQualityIndicatorsv1_4"
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.edPluginReadImageHeader = None
self.setXSDataInputClass(XSDataInputControlImageQualityIndicators)
self.listPluginExecImageQualityIndicator = []
self.xsDataResultControlImageQualityIndicators = None
self.edPluginMXWaitFile = None
# Default time out for wait file
self.fMXWaitFileTimeOut = 30 #s
# Flag for using the thin client
self.bUseThinClient = True
self.edPluginISPyB = None
self.listPluginMOSFLM = []
self.bDoISPyBUpload = True
self.defaultMinImageSize = 1000000
self.minImageSize = None
def checkParameters(self):
"""
Checks the mandatory parameters
"""
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_2.checkParameters")
self.checkMandatoryParameters(self.getDataInput().getImage(), "Image")
def configure(self, _edPlugin=None):
EDPluginControl.configure(self)
self.DEBUG("EDPluginControlReadImageHeaderv10.configure")
self.fMXWaitFileTimeOut = float(
self.config.get("MXWaitFileTimeOut", self.fMXWaitFileTimeOut))
self.bDoISPyBUpload = self.config.get("do_ispyb_upload")
if self.bDoISPyBUpload is None or self.bDoISPyBUpload == "false":
self.bDoISPyBUpload = False
self.minImageSize = self.config.get("minImageSize")
if self.minImageSize is None:
self.minImageSize = self.defaultMinImageSize
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_2.process")
EDUtilsParallel.initializeNbThread()
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators(
)
listPlugin = []
for xsDataImage in listXSDataImage:
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
strError = "Time-out while waiting for image %s" % xsDataImage.path.value
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(
strPluginName)
listPlugin.append(edPluginPluginExecImageQualityIndicator)
self.listPluginExecImageQualityIndicator.append(
edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength(
)
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImage)
edPluginPluginExecImageQualityIndicator.setDataInput(
xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators(
)
for edPluginPluginExecImageQualityIndicator in listPlugin:
edPluginPluginExecImageQualityIndicator.synchronize()
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString( \
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(
xsDataImageQualityIndicators)
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.bDoISPyBUpload:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=
lambda imageQualityIndicators: imageQualityIndicators.totalIntegratedSignal.value
)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(
xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(
self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(
self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(
self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([
edPluginMOSFLMIndexing,
xsDataResultControlImageQualityIndicator
])
edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
# print xsDataIndexingResult.marshal()
# xsDataResultISPyB = edPluginISPyB.dataOutput
# if xsDataResultISPyB is not None:
#print xsDataResultISPyB.marshal()
def finallyProcess(self, _edPlugin=None):
EDPluginControl.finallyProcess(self, _edPlugin)
# Synchronize ISPyB plugin
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_2.finallyProcess")
if self.bDoISPyBUpload:
self.edPluginISPyB.synchronize()
listId = []
for xsDataInteger in self.edPluginISPyB.dataOutput.imageQualityIndicatorsId:
listId.append(xsDataInteger.value)
self.DEBUG("ISPyB imageQualityIndicatorIds = %r" % listId)
self.setDataOutput(self.xsDataResultControlImageQualityIndicators)
def generateExecutiveSummary(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlImageQualityIndicatorsv1_2.generateExecutiveSummary"
)
self.addErrorWarningMessagesToExecutiveSummary(
"Image quality indicator plugin execution failure! Error messages: "
)
self.addExecutiveSummaryLine(
"Summary of image quality indicators with %s :" %
self.strPluginName)
for edPluginPluginExecImageQualityIndicator in self.listPluginExecImageQualityIndicator:
self.addExecutiveSummaryLine("")
if edPluginPluginExecImageQualityIndicator is not None:
self.appendExecutiveSummary(
edPluginPluginExecImageQualityIndicator,
"Distl.signal_strength : ",
_bAddSeparator=False)
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_2.process")
EDUtilsParallel.initializeNbThread()
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators(
)
listPlugin = []
for xsDataImage in listXSDataImage:
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(xsDataImage.path)
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(xsDataImage.path.value):
strError = "Time-out while waiting for image %s" % xsDataImage.path.value
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(
strPluginName)
listPlugin.append(edPluginPluginExecImageQualityIndicator)
self.listPluginExecImageQualityIndicator.append(
edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength(
)
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImage)
edPluginPluginExecImageQualityIndicator.setDataInput(
xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators(
)
for edPluginPluginExecImageQualityIndicator in listPlugin:
edPluginPluginExecImageQualityIndicator.synchronize()
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString( \
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(
xsDataImageQualityIndicators)
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.bDoISPyBUpload:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=
lambda imageQualityIndicators: imageQualityIndicators.totalIntegratedSignal.value
)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(
xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(
self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(
self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(
self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([
edPluginMOSFLMIndexing,
xsDataResultControlImageQualityIndicator
])
edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
class EDPluginControlGridScreeningv1_0(EDPluginControl):
"""
This plugin is a "light-weight" characterisation to be used for processing
images from grid scans.
"""
def __init__(self):
EDPluginControl.__init__(self)
self.setXSDataInputClass(XSDataInputGridScreening)
self.strControlReadImageHeaderPluginName = "EDPluginControlReadImageHeaderv10"
self.edPluginControlReadImageHeader = None
self.strControlledIndicatorsPluginName = "EDPluginControlImageQualityIndicatorsv1_4"
self.edPluginControlIndicators = None
self.strISPyBStoreImageQualityIndicatorsPluginName = "EDPluginISPyBStoreImageQualityIndicatorsv1_4"
self.edPluginISPyBStoreImageQualityIndicators = None
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginControlIntegration = "EDPluginControlIntegrationv10"
self.edPluginControlIntegration = None
self.strPluginControlStrategy = "EDPluginControlStrategyv1_2"
self.edPluginControlStrategy = None
self.strPluginExecMtz2Various = "EDPluginExecMtz2Variousv1_0"
self.edPluginExecMtz2Various = None
self.strImageFile = None
self.xsDataIndexingResultMOSFLM = None
self.xsDataCrystal = None
self.strCharacterisationShortSummary = ""
self.strStatusMessage = ""
self.xsDataDiffractionPlan = None
self.xsDataCollection = None
self.xsDataIndexingResult = None
self.xsDataStrategyResult = None
self.xsDataImageQualityIndicators = None
self.bStoreImageQualityIndicatorsInISPyB = False
self.bDoOnlyImageQualityIndicators = False
self.bDoOnlyIntegrationWithXMLOutput = False
self.iImageQualityIndicatorsId = None
self.xsDataGridScreeningResultIntegration = None
def checkParameters(self):
"""
Checks the mandatory parameters.
"""
self.DEBUG("EDPluginControlGridScreeningv1_0.checkParameters")
self.checkMandatoryParameters(self.getDataInput(), "Data Input is None")
self.checkMandatoryParameters(self.getDataInput().getImageFile(), "imageFile")
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.preProcess")
# Load the plugins
self.edPluginControlReadImageHeader = self.loadPlugin(self.strControlReadImageHeaderPluginName, \
"ReadImageHeader")
self.edPluginControlIndicators = self.loadPlugin(self.strControlledIndicatorsPluginName, \
"ControlIndicators")
self.edPluginMOSFLMIndexing = self.loadPlugin(self.strIndexingMOSFLMPluginName, \
"IndexingMOSFLM")
self.edPluginControlIntegration = self.loadPlugin(self.strPluginControlIntegration, \
"Integration")
self.edPluginControlStrategy = self.loadPlugin(self.strPluginControlStrategy, \
"Strategy")
self.edPluginExecMtz2Various = self.loadPlugin(self.strPluginExecMtz2Various, \
"Mtz2Various")
# Input data
self.strImageFile = self.getDataInput().getImageFile().getPath().getValue()
self.xsDataGridScreeningFileNameParameters = self.getFileNameParameters(self.strImageFile)
self.xsDataDiffractionPlan = self.getDataInput().getDiffractionPlan()
if self.xsDataDiffractionPlan is None:
self.xsDataDiffractionPlan = XSDataDiffractionPlan()
if self.xsDataDiffractionPlan.getMaxExposureTimePerDataCollection() is None:
# Default max esposure time: 10000s
self.xsDataDiffractionPlan.setMaxExposureTimePerDataCollection(XSDataTime(10000))
self.xsDataDiffractionPlan.setEstimateRadiationDamage(XSDataBoolean(False))
# Image quality indicators
if self.getDataInput().getStoreImageQualityIndicatorsInISPyB():
self.bStoreImageQualityIndicatorsInISPyB = self.getDataInput().getStoreImageQualityIndicatorsInISPyB().getValue()
if self.getDataInput().getDoOnlyImageQualityIndicators():
self.bDoOnlyImageQualityIndicators = self.getDataInput().getDoOnlyImageQualityIndicators().getValue()
if self.getDataInput().getDoOnlyIntegrationWithXMLOutput():
self.bDoOnlyIntegrationWithXMLOutput = self.getDataInput().getDoOnlyIntegrationWithXMLOutput().getValue()
if self.bStoreImageQualityIndicatorsInISPyB:
self.edPluginISPyBStoreImageQualityIndicators = self.loadPlugin(self.strISPyBStoreImageQualityIndicatorsPluginName, \
"ISPyBStoreImageQualityIndicators")
def process(self, _edObject=None):
EDPluginControl.process(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.process")
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.setImage(image=XSDataFile(path=XSDataString(self.strImageFile)))
self.edPluginControlReadImageHeader.setDataInput(xsDataInputReadImageHeader)
self.edPluginControlReadImageHeader.connectSUCCESS(self.doSuccessReadImageHeader)
self.edPluginControlReadImageHeader.connectFAILURE(self.doFailureReadImageHeader)
self.executePluginSynchronous(self.edPluginControlReadImageHeader)
def finallyProcess(self, _edObject=None):
EDPluginControl.finallyProcess(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.finallyProcess")
# Synchronise if necessary
if self.edPluginISPyBStoreImageQualityIndicators is not None:
self.edPluginISPyBStoreImageQualityIndicators.synchronize()
# Build up the output object
strComment = ""
xsDataResultGridScreening = XSDataResultGridScreening()
if self.xsDataGridScreeningFileNameParameters is not None:
xsDataResultGridScreening.setFileNameParameters(self.xsDataGridScreeningFileNameParameters)
if self.xsDataImageQualityIndicators is None:
strComment = "No image quality indicators"
else:
xsDataResultGridScreening.setImageQualityIndicators(self.xsDataImageQualityIndicators)
if self.xsDataImageQualityIndicators.getIceRings() is not None:
if self.xsDataImageQualityIndicators.getIceRings().getValue() > 1:
strComment = "Ice rings detected"
if self.xsDataIndexingResult is None:
if strComment == "":
strComment = "No indexing result"
else:
strComment += ", no indexing result"
else:
xsDataSelectedSolution = self.xsDataIndexingResult.getSelectedSolution()
xsDataResultGridScreening.setMosaicity(xsDataSelectedSolution.getCrystal().getMosaicity())
if self.xsDataStrategyResult is None:
if strComment == "":
strComment = "No strategy result"
else:
strComment += ", no strategy result"
else:
xsDataCollectionPlan = self.xsDataStrategyResult.getCollectionPlan()[0]
xsDataStrategySummary = xsDataCollectionPlan.getStrategySummary()
xsDataResultGridScreening.setRankingResolution(xsDataStrategySummary.getRankingResolution())
xsDataResultGridScreening.setResultIntegration(self.xsDataGridScreeningResultIntegration)
xsDataResultGridScreening.setComment(XSDataString(strComment))
if self.iImageQualityIndicatorsId is not None:
xsDataResultGridScreening.setImageQualityIndicatorsId(XSDataInteger(self.iImageQualityIndicatorsId))
# print xsDataResultGridScreening.marshal()
self.setDataOutput(xsDataResultGridScreening)
def doSuccessReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
xsDataResultReadImageHeader = self.edPluginControlReadImageHeader.getDataOutput()
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.getSubWedge()
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
self.xsDataCollection.setDiffractionPlan(self.xsDataDiffractionPlan)
if not self.bDoOnlyIntegrationWithXMLOutput:
xsDataInputControlImageQualityIndicators = XSDataInputControlImageQualityIndicators()
if self.bStoreImageQualityIndicatorsInISPyB:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(True)
else:
xsDataInputControlImageQualityIndicators.doUploadToIspyb = XSDataBoolean(False)
xsDataInputControlImageQualityIndicators.addImage(XSDataImage(path=XSDataString(self.strImageFile)))
self.edPluginControlIndicators.setDataInput(xsDataInputControlImageQualityIndicators)
self.edPluginControlIndicators.connectSUCCESS(self.doSuccessIndicators)
self.edPluginControlIndicators.connectFAILURE(self.doFailureIndicators)
self.executePluginSynchronous(self.edPluginControlIndicators)
else:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def doFailureReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureReadImageHeader")
self.retrieveFailureMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
def doSuccessIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIndicators")
# self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessIndexingIndicators")
if self.edPluginControlIndicators.hasDataOutput():
self.xsDataImageQualityIndicators = self.edPluginControlIndicators.getDataOutput().getImageQualityIndicators()[0]
# Continue only if requested
if not self.bDoOnlyImageQualityIndicators:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def doFailureIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureIndicators")
strErrorMessage = "Execution of Indexing and Indicators plugin failed. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessISPyBStoreImageQualityIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessISPyBStoreImageQualityIndicators")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessISPyBStoreImageQualityIndicators")
self.iImageQualityIndicatorsId = self.edPluginISPyBStoreImageQualityIndicators.getDataOutput().getImageQualityIndicatorsId().getValue()
if self.iImageQualityIndicatorsId is None:
self.WARNING("Image quality indicators result not stored in ISPyB!")
def doFailureISPyBStoreImageQualityIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureISPyBStoreImageQualityIndicators")
strErrorMessage = "Execution of store ISPyB image quality indicators plugin failed."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIndexingMOSFLM")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doIntegrationToStrategyTransition")
xsDataMOSFLMIndexingOutput = self.edPluginMOSFLMIndexing.getDataOutput()
xsDataExperimentalConditionRefined = None
if self.hasDataInput("refinedExperimentalCondition"):
xsDataExperimentalConditionRefined = self.getDataInput("refinedExperimentalCondition")[0]
else:
# Use the experimental condition from the xsDataCollection
xsDataExperimentalConditionRefined = self.xsDataCollection.getSubWedge()[0].getExperimentalCondition()
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
self.xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(xsDataMOSFLMIndexingOutput, xsDataExperimentalConditionRefined)
xsDataIntegrationInput = XSDataIntegrationInput()
xsDataIntegrationInput.setDataCollection(self.xsDataCollection)
xsDataIntegrationInput.setExperimentalConditionRefined(self.xsDataIndexingResult.getSelectedSolution().getExperimentalConditionRefined())
xsDataIntegrationInput.setSelectedIndexingSolution(self.xsDataIndexingResult.getSelectedSolution())
self.edPluginControlIntegration.connectSUCCESS(self.doSuccessIntegration)
self.edPluginControlIntegration.connectFAILURE(self.doFailureIntegration)
self.edPluginControlIntegration.setDataInput(xsDataIntegrationInput)
self.executePluginSynchronous(self.edPluginControlIntegration)
def doFailureIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureActionIndexing")
self.retrieveFailureMessages(_edPlugin, "EDPluginControlCharacterisationv1_1.doFailureActionIndexing")
def doSuccessIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIntegration")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessIntegration")
self.addStatusMessage("Integration successful.")
self.xsDataIntegrationOutput = self.edPluginControlIntegration.getDataOutput()
# Integration short summary
if self.edPluginControlIntegration.hasDataOutput("integrationShortSummary"):
self.strCharacterisationShortSummary += self.edPluginControlIntegration.getDataOutput("integrationShortSummary")[0].getValue()
# self.DEBUG( self.xsDataExperimentCharacterisation.marshal() )
if self.bDoOnlyIntegrationWithXMLOutput:
# Run mtz2various
xsDataInputMtz2Various = XSDataInputMtz2Various()
xsDataInputMtz2Various.setMtzfile(self.edPluginControlIntegration.getDataOutput().getIntegrationSubWedgeResult()[0].getGeneratedMTZFile())
xsDataInputMtz2Various.addLabin(XSDataString("I=I"))
xsDataInputMtz2Various.addLabin(XSDataString("SIGI=SIGI"))
xsDataInputMtz2Various.setOutput(XSDataString("USER '(3I4,2F10.1)'"))
self.edPluginExecMtz2Various.setDataInput(xsDataInputMtz2Various)
self.edPluginExecMtz2Various.executeSynchronous()
strHklFilePath = self.edPluginExecMtz2Various.getDataOutput().getHklfile().getPath().getValue()
strIntegration = EDUtilsFile.readFile(strHklFilePath)
# Output the result in XML format
self.xsDataGridScreeningResultIntegration = XSDataGridScreeningResultIntegration()
self.xsDataGridScreeningResultIntegration.setFileName(os.path.basename(self.strImageFile))
self.xsDataGridScreeningResultIntegration.setFileDirectory(os.path.dirname(self.strImageFile))
self.xsDataGridScreeningResultIntegration.setIntegratedData(strIntegration)
else:
# We continue with the strategy calculation
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.xsDataIndexingResult.getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.xsDataCollection.getSample())
xsDataIntegrationSubWedgeResultList = self.xsDataIntegrationOutput.getIntegrationSubWedgeResult()
xsDataInputStrategy.setBestFileContentDat(xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(xsDataIntegrationSubWedgeResultList[0].getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(self.xsDataCollection)
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(self.xsDataDiffractionPlan)
self.edPluginControlStrategy.connectSUCCESS(self.doSuccessStrategy)
self.edPluginControlStrategy.connectFAILURE(self.doFailureStrategy)
self.edPluginControlStrategy.setDataInput(xsDataInputStrategy)
self.executePluginSynchronous(self.edPluginControlStrategy)
def doFailureIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureIntegration")
strErrorMessage = "Execution of integration plugin failed."
self.addStatusMessage("Integration FAILURE.")
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessStrategy(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessStrategy")
self.retrieveSuccessMessages(self.edPluginControlStrategy, "EDPluginControlGridScreeningv1_0.doSuccessStrategy")
self.xsDataStrategyResult = self.edPluginControlStrategy.getDataOutput()
def doFailureStrategy(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureStrategy")
self.retrieveFailureMessages(self.edPluginControlStrategy, "EDPluginControlGridScreeningv1_0.doFailureStrategy")
strErrorMessage = "Strategy calculation FAILURE."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
# def generateExecutiveSummary(self, _edPlugin):
# """
# Generates a summary of the execution of the plugin.
# """
# self.DEBUG("EDPluginControlGridScreeningv1_0.generateExecutiveSummary")
# self.addExecutiveSummaryLine("Summary of characterisation:")
# xsDataInputStrategy = self.getDataInput()
# xsDataCollection = xsDataInputStrategy.getDataCollection()
# xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
# self.addExecutiveSummaryLine("Diffraction plan:")
# if (xsDataDiffractionPlan.getComplexity() is not None):
# self.addExecutiveSummaryLine("BEST complexity : %s" % xsDataDiffractionPlan.getComplexity().getValue())
# if (xsDataDiffractionPlan.getAimedCompleteness() is not None):
# self.addExecutiveSummaryLine("Aimed completeness : %6.1f [%%]" % (100.0 * xsDataDiffractionPlan.getAimedCompleteness().getValue()))
# if (xsDataDiffractionPlan.getRequiredCompleteness() is not None):
# self.addExecutiveSummaryLine("Required completeness : %6.1f [%%]" % (100.0 * xsDataDiffractionPlan.getRequiredCompleteness().getValue()))
# if (xsDataDiffractionPlan.getAimedIOverSigmaAtHighestResolution() is not None):
# self.addExecutiveSummaryLine("Aimed I/sigma at highest resolution : %6.1f" % xsDataDiffractionPlan.getAimedIOverSigmaAtHighestResolution().getValue())
# if (xsDataDiffractionPlan.getAimedResolution() is not None):
# self.addExecutiveSummaryLine("Aimed resolution : %6.1f [A]" % xsDataDiffractionPlan.getAimedResolution().getValue())
# if (xsDataDiffractionPlan.getRequiredResolution() is not None):
# self.addExecutiveSummaryLine("Required resolution : %6.1f [A]" % xsDataDiffractionPlan.getRequiredResolution().getValue())
# if (xsDataDiffractionPlan.getAimedMultiplicity() is not None):
# self.addExecutiveSummaryLine("Aimed multiplicity : %6.1f" % xsDataDiffractionPlan.getAimedMultiplicity().getValue())
# if (xsDataDiffractionPlan.getRequiredMultiplicity() is not None):
# self.addExecutiveSummaryLine("Required multiplicity : %6.1f" % xsDataDiffractionPlan.getRequiredMultiplicity().getValue())
# if (xsDataDiffractionPlan.getForcedSpaceGroup() is not None):
# self.addExecutiveSummaryLine("Forced space group : %6s" % xsDataDiffractionPlan.getForcedSpaceGroup().getValue())
# if (xsDataDiffractionPlan.getMaxExposureTimePerDataCollection() is not None):
# self.addExecutiveSummaryLine("Max exposure time per data collection : %6.1f [s]" % xsDataDiffractionPlan.getMaxExposureTimePerDataCollection().getValue())
# self.addExecutiveSummarySeparator()
# if self.edPluginControlIndexingIndicators is not None:
# self.appendExecutiveSummary(self.edPluginControlIndexingIndicators, "")
# if self.edPluginControlIndexingLabelit is not None:
# self.appendExecutiveSummary(self.edPluginControlIndexingLabelit, "")
# if self.edPluginControlIntegration is not None:
# self.appendExecutiveSummary(self.edPluginControlIntegration, "")
# if self.edPluginControlStrategy is not None:
# self.appendExecutiveSummary(self.edPluginControlStrategy, "")
# self.addExecutiveSummarySeparator()
# if self.strCharacterisationShortSummary is not None:
# self.addExecutiveSummaryLine("Characterisation short summary:")
# self.addExecutiveSummaryLine("")
# if self.strStatusMessage != None:
# for strLine in self.strStatusMessage.split(". "):
# if strLine.endswith("."):
# self.addExecutiveSummaryLine(strLine)
# else:
# self.addExecutiveSummaryLine(strLine + ".")
# self.addExecutiveSummaryLine("")
# for strLine in self.strCharacterisationShortSummary.split("\n"):
# if strLine != "\n":
# self.addExecutiveSummaryLine(strLine)
# self.addErrorWarningMessagesToExecutiveSummary("Characterisation error and warning messages: ")
# self.addExecutiveSummarySeparator()
def addStatusMessage(self, _strStatusMessage):
if self.strStatusMessage != "":
self.strStatusMessage += " "
self.strStatusMessage += _strStatusMessage
def getFileNameParameters(self, _strFileName):
"""Method for extracting the rotation start angle, the two motor positions and the grid scan image no from the file name"""
# Typical file name: mesh_0_21.676_-0.051_22_001.mccd
listParts = os.path.basename(_strFileName).split("_")
xsDataGridScreeningFileNameParameters = XSDataGridScreeningFileNameParameters()
try:
strScanId1 = listParts[1]
xsDataGridScreeningFileNameParameters.setScanId1(XSDataString(strScanId1))
strMotorPosition1 = listParts[2]
xsDataGridScreeningFileNameParameters.setMotorPosition1(XSDataString(strMotorPosition1))
strMotorPosition2 = listParts[3]
xsDataGridScreeningFileNameParameters.setMotorPosition2(XSDataString(strMotorPosition2))
strScanId2 = listParts[4]
xsDataGridScreeningFileNameParameters.setScanId2(XSDataString(strScanId2))
except:
xsDataGridScreeningFileNameParameters = None
return xsDataGridScreeningFileNameParameters
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
self.DEBUG("EDPluginControlCharacterisationv1_5.preProcess")
self._xsDataResultCharacterisation = XSDataResultCharacterisation()
# Load the plugins
self._edPluginControlIndexingIndicators = self.loadPlugin(self._strPluginControlIndexingIndicators, \
"Indexing")
self._edPluginExecEvaluationIndexingLABELIT = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionLABELIT")
self._edPluginControlIndexingMOSFLM = self.loadPlugin(self._strPluginControlIndexingMOSFLM, \
"IndexingMOSFLM")
self._edPluginExecEvaluationIndexingMOSFLM = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionMOSFLM")
self._edPluginControlGeneratePrediction = self.loadPlugin(self._strPluginControlGeneratePrediction, \
"GeneratePrediction")
self._edPluginControlIntegration = self.loadPlugin(self._strPluginControlIntegration, \
"Integration")
self._edPluginControlXDSGenerateBackgroundImage = self.loadPlugin(self._strPluginControlXDSGenerateBackgroundImage, \
"ControlXDSGenerateBackgroundImage")
self._edPluginControlStrategy = self.loadPlugin(self._strPluginControlStrategy, \
"Strategy")
if self._runKappa:
self._edPluginControlKappa = self.loadPlugin(self._strPluginControlKappaName, "Kappa")
if (self._edPluginControlIndexingIndicators is not None):
self.DEBUG("EDPluginControlCharacterisationv1_5.preProcess: " + self._strPluginControlIndexingIndicators + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputCharacterisation = self.getDataInput()
self._xsDataCollection = xsDataInputCharacterisation.getDataCollection()
# MXSUP-1445: Check if transmission is less than 10% and warn if it's the case
xsDataFirstSubWedge = self._xsDataCollection.getSubWedge()[0]
xsDataBeam = xsDataFirstSubWedge.getExperimentalCondition().getBeam()
if xsDataBeam.getTransmission() is not None:
fTransmission = xsDataBeam.getTransmission().getValue()
if fTransmission < self._fMinTransmission:
strWarningMessageBanner = "^"*80
strWarningMessage1 = "WARNING! Transmission for characterisation set to %.1f %%" % fTransmission
strWarningMessage2 = "Please consider re-characterising with transmission set to 100 %"
self.warning(strWarningMessageBanner)
self.warning(strWarningMessage1)
self.warning(strWarningMessage2)
self.warning(strWarningMessageBanner)
self.addWarningMessage(strWarningMessageBanner)
self.addWarningMessage(strWarningMessage1)
self.addWarningMessage(strWarningMessage2)
self.addWarningMessage(strWarningMessageBanner)
self.sendMessageToMXCuBE(strWarningMessage1, "warning")
self.sendMessageToMXCuBE(strWarningMessage2, "warning")
xsDataCrystal = None
xsDataSubWedgeList = self._xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_5.preProcess: No subwedges in input data."
self.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam().getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
strErrorMessage = "Input flux is negative or close to zero. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage("EDPluginControlCharacterisationv1_5.preProcess ERROR: " + strErrorMessage)
# self.addComment(strErrorMessage)
self.setFailure()
xsDataDiffractionPlan = self._xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup()
if (xsDataStringForcedSpaceGroup is not None):
self._xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
self._xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
self._edPluginControlIndexingIndicators.setDataInput(self._xsDataCollection, "dataCollection")
if self._xsDataCrystal is not None:
self._edPluginControlIndexingIndicators.setDataInput(self._xsDataCrystal, "crystal")
# Populate characterisation object
self._xsDataResultCharacterisation.setDataCollection(XSDataCollection.parseString(self._xsDataCollection.marshal()))
# Load the thumbnail plugins
self._iNoReferenceImages = 0
if not self.isFailure():
for subWedge in xsDataInputCharacterisation.dataCollection.subWedge:
for image in subWedge.image:
self._iNoReferenceImages += 1
edPluginJpeg = self.loadPlugin(self._strPluginGenerateThumbnailName)
xsDataInputMXThumbnail = XSDataInputMXThumbnail()
xsDataInputMXThumbnail.image = XSDataFile(image.path)
xsDataInputMXThumbnail.height = XSDataInteger(1024)
xsDataInputMXThumbnail.width = XSDataInteger(1024)
jpegFilename = os.path.splitext(os.path.basename(image.path.value))[0] + ".jpg"
xsDataInputMXThumbnail.outputPath = XSDataFile(XSDataString(os.path.join(self.getWorkingDirectory(), jpegFilename)))
edPluginJpeg.dataInput = xsDataInputMXThumbnail
edPluginThumnail = self.loadPlugin(self._strPluginGenerateThumbnailName)
xsDataInputMXThumbnail = XSDataInputMXThumbnail()
xsDataInputMXThumbnail.image = XSDataFile(image.path)
xsDataInputMXThumbnail.height = XSDataInteger(256)
xsDataInputMXThumbnail.width = XSDataInteger(256)
thumbnailFilename = os.path.splitext(os.path.basename(image.path.value))[0] + ".thumbnail.jpg"
xsDataInputMXThumbnail.outputPath = XSDataFile(XSDataString(os.path.join(self.getWorkingDirectory(), thumbnailFilename)))
edPluginThumnail.dataInput = xsDataInputMXThumbnail
self._listPluginGenerateThumbnail.append((image, edPluginJpeg, edPluginThumnail))
def getXSDataResultStrategy(self, _xsDataResultBest, _xsDataExperimentalCondition, _xsDataSample):
xsDataResultStrategy = XSDataResultStrategy()
listXSDataBestCollectionPlan = _xsDataResultBest.getCollectionPlan()
for xsDataBestCollectionPlan in listXSDataBestCollectionPlan:
xsDataCollectionPlan = XSDataCollectionPlan()
xsDataCollectionStrategy = XSDataCollection()
xsDataBestStrategySummary = xsDataBestCollectionPlan.getStrategySummary()
xsDataDoubleTransmission = xsDataBestStrategySummary.getTransmission()
for xsDataBestCollectionRun in xsDataBestCollectionPlan.getCollectionRun():
xsDataSubWedge = XSDataSubWedge()
strXmlStringDataExperimentalCondition = _xsDataExperimentalCondition.marshal()
xsDataExperimentalCondition = XSDataExperimentalCondition.parseString(
strXmlStringDataExperimentalCondition
)
xsDataExperimentalCondition.getBeam().setExposureTime(xsDataBestCollectionRun.getExposureTime())
if xsDataBestCollectionRun.getTransmission() is None:
xsDataExperimentalCondition.getBeam().setTransmission(xsDataDoubleTransmission)
else:
xsDataExperimentalCondition.getBeam().setTransmission(xsDataBestCollectionRun.getTransmission())
xsDataExperimentalCondition.getDetector().setDistance(xsDataBestStrategySummary.getDistance())
xsDataExperimentalCondition.getGoniostat().setRotationAxisStart(xsDataBestCollectionRun.getPhiStart())
xsDataExperimentalCondition.getGoniostat().setOscillationWidth(xsDataBestCollectionRun.getPhiWidth())
fRotationAxisEnd = (
xsDataBestCollectionRun.getPhiStart().getValue()
+ xsDataBestCollectionRun.getNumberOfImages().getValue()
* xsDataBestCollectionRun.getPhiWidth().getValue()
)
xsDataExperimentalCondition.getGoniostat().setRotationAxisEnd(XSDataAngle(fRotationAxisEnd))
xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
xsDataSubWedge.setSubWedgeNumber(xsDataBestCollectionRun.getCollectionRunNumber())
if xsDataBestCollectionRun.getCrystalPosition():
xsDataSubWedge.setAction(
XSDataString("Crystal position: %d" % xsDataBestCollectionRun.getCrystalPosition().getValue())
)
else:
xsDataSubWedge.setAction(xsDataBestCollectionRun.getAction())
xsDataCollectionStrategy.addSubWedge(xsDataSubWedge)
xsDataCollectionStrategy.setSample(_xsDataSample)
xsDataCollectionPlan.setCollectionStrategy(xsDataCollectionStrategy)
xsDataStrategySummary = XSDataStrategySummary()
xsDataStrategySummary.setCompleteness(xsDataBestStrategySummary.getCompleteness())
xsDataStrategySummary.setISigma(xsDataBestStrategySummary.getISigma())
xsDataStrategySummary.setRankingResolution(xsDataBestStrategySummary.getRankingResolution())
xsDataStrategySummary.setRedundancy(xsDataBestStrategySummary.getRedundancy())
xsDataStrategySummary.setResolution(xsDataBestStrategySummary.getResolution())
xsDataStrategySummary.setResolutionReasoning(xsDataBestStrategySummary.getResolutionReasoning())
xsDataStrategySummary.setTotalDataCollectionTime(xsDataBestStrategySummary.getTotalDataCollectionTime())
xsDataStrategySummary.setTotalExposureTime(xsDataBestStrategySummary.getTotalExposureTime())
xsDataCollectionPlan.setStrategySummary(xsDataStrategySummary)
if xsDataBestCollectionPlan.getStatisticalPrediction() is not None:
xsDataStatisticsStrategy = XSDataStatisticsStrategy.parseString(
xsDataBestCollectionPlan.getStatisticalPrediction().marshal()
)
xsDataCollectionPlan.setStatistics(xsDataStatisticsStrategy)
xsDataCollectionPlan.setCollectionPlanNumber(xsDataBestCollectionPlan.getCollectionPlanNumber())
xsDataResultStrategy.addCollectionPlan(xsDataCollectionPlan)
if _xsDataResultBest.getPathToLogFile() != None:
xsDataResultStrategy.setBestLogFile(_xsDataResultBest.getPathToLogFile())
return xsDataResultStrategy
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
EDVerbose.DEBUG("EDPluginControlGeneratePredictionv10.preProcess...")
xsDataGeneratePredictionInput = self.getDataInput()
xsDataSelectedIndexingSolution = xsDataGeneratePredictionInput.getSelectedIndexingSolution(
)
xsDataExperimentalConditionRefined = xsDataSelectedIndexingSolution.getExperimentalConditionRefined(
)
xsDataCollection = xsDataGeneratePredictionInput.getDataCollection()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
# List containing instances of all the generate prediction plugins
self.__listPluginGeneratePrediction = []
# Loop through all subwedges
iIndex = 0
for xsDataSubWedge in xsDataSubWedgeList:
xsDataImageList = xsDataSubWedge.getImage()
# 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
# Then loop through all images in a sub wedge
for xsDataImage in xsDataImageList:
iIndex += 1
edPluginGeneratePrediction = self.loadPlugin(
self.__strPluginGeneratePredictionName, "%s-%02d" %
(self.__strPluginGeneratePredictionName, iIndex))
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setSelectedIndexingSolution(
XSDataIndexingSolutionSelected.parseString(
xsDataSelectedIndexingSolution.marshal()))
xsDataCollectionNew = XSDataCollection()
xsDataSubWedgeNew = XSDataSubWedge()
xsDataSubWedgeNew.addImage(
XSDataImage.parseString(xsDataImage.marshal()))
xsDataSubWedgeNew.setExperimentalCondition(
XSDataExperimentalCondition.parseString(
xsDataSubWedge.getExperimentalCondition().marshal()))
# We must modify the rotationOscillationStart for the new subwedge
xsDataGoniostatNew = xsDataSubWedgeNew.getExperimentalCondition(
).getGoniostat()
fGoniostatRotationAxisStart = xsDataGoniostatNew.getRotationAxisStart(
).getValue()
fGonioStatOscillationRange = xsDataGoniostatNew.getOscillationWidth(
).getValue()
iImageNumber = xsDataImage.getNumber().getValue()
fGoniostatRotationAxisStartNew = fGoniostatRotationAxisStart + (
iImageNumber -
iLowestImageNumber) * fGonioStatOscillationRange
xsDataGoniostatNew.setRotationAxisStart(
XSDataAngle(fGoniostatRotationAxisStartNew))
#
xsDataCollectionNew.addSubWedge(xsDataSubWedgeNew)
xsDataGeneratePredictionInput.setDataCollection(
xsDataCollectionNew)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMInputGeneratePrediction = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputGeneratePrediction(
xsDataGeneratePredictionInput)
edPluginGeneratePrediction.setDataInput(
xsDataMOSFLMInputGeneratePrediction)
self.__listPluginGeneratePrediction.append(
edPluginGeneratePrediction)
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
self.DEBUG("EDPluginControlIntegrationv10.preProcess...")
xsDataIntegrationInput = self.getDataInput()
xsDataSelectedIndexingSolution = xsDataIntegrationInput.getSelectedIndexingSolution(
)
self.__xsDataExperimentalConditionRefined = xsDataIntegrationInput.getExperimentalConditionRefined(
)
# To be changed (see bug #40)
if (self.__xsDataExperimentalConditionRefined is None):
self.__xsDataExperimentalConditionRefined = xsDataSelectedIndexingSolution.getExperimentalConditionRefined(
)
xsDataCollection = xsDataIntegrationInput.getDataCollection()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
self.__edPluginIntegrationList = []
iIndex = 0
for xsDataSubWedge in xsDataSubWedgeList:
iSubWedgeNumber = iIndex
if (xsDataSubWedge.getSubWedgeNumber() is not None):
# Use the incoming subwedge number if it exists
iSubWedgeNumber = xsDataSubWedge.getSubWedgeNumber().getValue()
edPluginIntegration = self.loadPlugin(
self.__strPluginIntegrationName)
if (not edPluginIntegration is None):
iIndex += 1
xsDataIntegrationInputSubWedge = XSDataIntegrationInput()
xsDataIntegrationInputSubWedge.setSelectedIndexingSolution(
XSDataIndexingSolutionSelected.parseString(
xsDataSelectedIndexingSolution.marshal()))
xsDataIntegrationInputSubWedge.setExperimentalConditionRefined(
XSDataExperimentalCondition.parseString(
self.__xsDataExperimentalConditionRefined.marshal()))
xsDataCollection = XSDataCollection()
xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIntegrationInputSubWedge.setDataCollection(
xsDataCollection)
try:
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMInputIntegration = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIntegration(
xsDataIntegrationInputSubWedge)
edPluginIntegration.setDataInput(
xsDataMOSFLMInputIntegration)
edPluginIntegration.setBaseName(
"%s-%02d" % (self.__strPluginIntegrationName, iIndex))
edPluginIntegration.connectSUCCESS(
self.doSuccessActionIntegration)
edPluginIntegration.connectFAILURE(
self.doFailureActionIntegration)
# Here we store the sub wedge number for use in the results
self.__edPluginIntegrationList.append(
[iSubWedgeNumber, edPluginIntegration])
except Exception as strErrorMessage:
self.addErrorMessage(strErrorMessage)
self.ERROR(strErrorMessage)
self.setFailure()
else:
strErrorMessage = "EDPluginControlIntegrationv10.preProcess: could not load plugin %s" % self.__strPluginIntegrationName
self.error(strErrorMessage)
self.addErrorMessage(strErrorMessage)
self.setFailure()
class EDPluginControlImageQualityIndicatorsv1_4(EDPluginControl):
"""
This plugin that control the plugin that generates the image quality indicators.
"""
def __init__(self):
EDPluginControl.__init__(self)
self.strPluginMXWaitFileName = "EDPluginMXWaitFilev1_1"
self.strPluginName = "EDPluginDistlSignalStrengthv1_1"
self.strPluginNameThinClient = "EDPluginDistlSignalStrengthThinClientv1_1"
self.strPluginNameControlDozor = "EDPluginControlDozorv1_0"
self.strISPyBPluginName = "EDPluginISPyBStoreListOfImageQualityIndicatorsv1_4"
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.edPluginReadImageHeader = None
self.edPluginControlDozor = None
self.strPluginControlH5ToCBF = "EDPluginControlH5ToCBFv1_1"
self.setXSDataInputClass(XSDataInputControlImageQualityIndicators)
self.listPluginExecImageQualityIndicator = []
self.listPluginControlDozor = []
self.xsDataResultControlImageQualityIndicators = None
self.edPluginMXWaitFile = None
# Default time out for wait file
self.fMXWaitFileTimeOut = 120 # s
# Flag for using the thin client - disabled as of 2016/07/20
self.bUseThinClient = False
self.edPluginISPyB = None
self.listPluginMOSFLM = []
self.defaultMinImageSize = 1000000
self.minImageSize = None
self.strEDPluginControlReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.hasOverlap = False
def checkParameters(self):
"""
Checks the mandatory parameters
"""
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.checkParameters")
# self.checkMandatoryParameters(self.getDataInput().getImage(), "Image")
def configure(self, _edPlugin=None):
EDPluginControl.configure(self)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.configure")
self.fMXWaitFileTimeOut = float(
self.config.get("MXWaitFileTimeOut", self.fMXWaitFileTimeOut))
self.minImageSize = self.config.get("minImageSize")
if self.minImageSize is None:
self.minImageSize = self.defaultMinImageSize
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.process")
EDUtilsParallel.initializeNbThread()
# Check batch size
if self.dataInput.batchSize is None:
batchSize = 1
else:
batchSize = self.dataInput.batchSize.value
self.screen(
"Image quality indicators batch size: {0}".format(batchSize))
# Check if we should do distlSignalStrength:
bDoDistlSignalStrength = True
if self.dataInput.doDistlSignalStrength is not None:
if not self.dataInput.doDistlSignalStrength.value:
bDoDistlSignalStrength = False
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Check if fast mesh (for HDF5)
isFastMesh = False
if self.dataInput.fastMesh:
isFastMesh = self.dataInput.fastMesh.value
# Loop through all the incoming reference images
if len(self.dataInput.image) == 0:
directory = self.dataInput.directory.path.value
template = self.dataInput.template.value
startNo = self.dataInput.startNo.value
endNo = self.dataInput.endNo.value
listXSDataImage = []
for index in range(startNo, endNo + 1):
imageName = template.replace("####", "{0:04d}".format(index))
imagePath = os.path.join(directory, imageName)
xsDataImage = XSDataImage(path=XSDataString(imagePath),
number=XSDataInteger(index))
listXSDataImage.append(xsDataImage)
else:
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators(
)
listPluginDistl = []
listPluginDozor = []
listOfImagesInBatch = []
listOfAllBatches = []
indexBatch = 0
listH5FilePath = []
# Process data in batches
for xsDataImage in listXSDataImage:
listOfImagesInBatch.append(xsDataImage.copy())
if len(listOfImagesInBatch) == batchSize:
listOfAllBatches.append(listOfImagesInBatch)
listOfImagesInBatch = []
if len(listOfImagesInBatch) > 0:
listOfAllBatches.append(listOfImagesInBatch)
listOfImagesInBatch = []
# Loop over batches
for listOfImagesInBatch in listOfAllBatches:
# First wait for images
for image in listOfImagesInBatch:
strPathToImage = image.path.value
# If Eiger, just wait for the h5 file
if strPathToImage.endswith(".h5"):
h5MasterFilePath, h5DataFilePath, hdf5ImageNumber = self.getH5FilePath(
strPathToImage,
batchSize=batchSize,
isFastMesh=isFastMesh)
# print(h5FilePath)
# print(hdf5ImageNumber)
if not h5DataFilePath in listH5FilePath:
self.screen(
"ID30a3 Eiger data, waiting for master and data files..."
)
listH5FilePath.append(h5DataFilePath)
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(
XSDataString(h5DataFilePath))
xsDataInputMXWaitFile.setSize(
XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.screen(
"Waiting for file {0}".format(h5DataFilePath))
self.DEBUG("Wait file timeOut set to %f" %
self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(
xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
# hdf5FilePath = strPathToImage.replace(".cbf", ".h5")
time.sleep(1)
if not os.path.exists(h5DataFilePath):
strError = "Time-out while waiting for image %s" % h5DataFilePath
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if not os.path.exists(strPathToImage):
# self.screen("Waiting for file {0}".format(strPathToImage))
self.edPluginMXWaitFile = self.loadPlugin(
self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(
XSDataString(strPathToImage))
xsDataInputMXWaitFile.setSize(
XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(
XSDataTime(self.fMXWaitFileTimeOut))
self.screen("Wait file timeOut set to %.0f s" %
self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(
xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(strPathToImage):
strError = "Time-out while waiting for image %s" % strPathToImage
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
if not self.isFailure():
strPathToFirstImage = listOfImagesInBatch[0].path.value
if strPathToImage.endswith(".h5"):
indexLoop = 1
continueLoop = True
while continueLoop:
directory = os.path.dirname(strPathToFirstImage)
firstImage = EDUtilsImage.getImageNumber(
listOfImagesInBatch[0].path.value)
lastImage = EDUtilsImage.getImageNumber(
listOfImagesInBatch[-1].path.value)
xsDataInputH5ToCBF = XSDataInputH5ToCBF()
xsDataInputH5ToCBF.hdf5File = XSDataFile(
listOfImagesInBatch[0].path)
xsDataInputH5ToCBF.hdf5ImageNumber = XSDataInteger(1)
xsDataInputH5ToCBF.startImageNumber = XSDataInteger(
firstImage)
xsDataInputH5ToCBF.endImageNumber = XSDataInteger(
lastImage)
xsDataInputH5ToCBF.forcedOutputDirectory = XSDataFile(
XSDataString(directory))
edPluginH5ToCBF = self.loadPlugin(
"EDPluginH5ToCBFv1_1")
edPluginH5ToCBF.dataInput = xsDataInputH5ToCBF
edPluginH5ToCBF.execute()
edPluginH5ToCBF.synchronize()
outputCBFFileTemplate = edPluginH5ToCBF.dataOutput.outputCBFFileTemplate
if outputCBFFileTemplate is not None:
lastCbfFile = outputCBFFileTemplate.path.value.replace(
"######", "{0:06d}".format(
EDUtilsImage.getImageNumber(
listOfImagesInBatch[-1].path.value)))
strPathToImage = os.path.join(
directory, lastCbfFile)
# print(cbfFile.path.value)
if os.path.exists(strPathToImage):
# Rename all images
for image in listOfImagesInBatch:
image.path.value = image.path.value.replace(
".h5", ".cbf")
imageNumber = EDUtilsImage.getImageNumber(
image.path.value)
oldPath = os.path.join(
directory,
outputCBFFileTemplate.path.value.
replace("######",
"{0:06d}".format(imageNumber)))
newPath = os.path.join(
directory,
outputCBFFileTemplate.path.value.
replace("######",
"{0:04d}".format(imageNumber)))
os.rename(oldPath, newPath)
lastCbfFile = outputCBFFileTemplate.path.value.replace(
"######", "{0:04d}".format(
EDUtilsImage.getImageNumber(
listOfImagesInBatch[-1].path.value)
))
strPathToImage = os.path.join(
directory, lastCbfFile)
self.screen(
"Image has been converted to CBF file: {0}"
.format(strPathToImage))
continueLoop = False
# print(continueLoop)
if continueLoop:
self.screen(
"Still waiting for converting to CBF file: {0}"
.format(strPathToImage))
indexLoop += 1
time.sleep(5)
if indexLoop > 10:
continueLoop = False
for image in listOfImagesInBatch:
strPathToImage = image.path.value
# Check if we should run distl.signalStrength
xsDataImageNew = XSDataImage(XSDataString(strPathToImage))
xsDataImageNew.number = XSDataInteger(
EDUtilsImage.getImageNumber(image.path.value))
edPluginPluginExecImageQualityIndicator = None
if bDoDistlSignalStrength:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(
strPluginName)
self.listPluginExecImageQualityIndicator.append(
edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength(
)
xsDataInputDistlSignalStrength.setReferenceImage(
xsDataImageNew)
edPluginPluginExecImageQualityIndicator.setDataInput(
xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listPluginDistl.append(
(xsDataImageNew.copy(),
edPluginPluginExecImageQualityIndicator))
edPluginControlDozor = self.loadPlugin(
self.strPluginNameControlDozor, "ControlDozor_{0}".format(
os.path.splitext(
os.path.basename(strPathToFirstImage))[0]))
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listOfImagesInBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(
len(listOfImagesInBatch))
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append(
(edPluginControlDozor, list(listOfImagesInBatch)))
if not self.isFailure():
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators(
)
for (xsDataImage,
edPluginPluginExecImageQualityIndicator) in listPluginDistl:
xsDataImageQualityIndicators = XSDataImageQualityIndicators()
xsDataImageQualityIndicators.image = xsDataImage.copy()
if edPluginPluginExecImageQualityIndicator is not None:
edPluginPluginExecImageQualityIndicator.synchronize()
if edPluginPluginExecImageQualityIndicator.dataOutput is not None:
if edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators is not None:
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(
xsDataImageQualityIndicators)
for (edPluginControlDozor, listBatch) in listPluginDozor:
edPluginControlDozor.synchronize()
# Check that we got at least one result
if len(edPluginControlDozor.dataOutput.imageDozor) == 0:
# Run the dozor plugin again, this time synchronously
firstImage = os.path.basename(listBatch[0].path.value)
lastImage = os.path.basename(listBatch[-1].path.value)
self.screen(
"No dozor results! Re-executing Dozor for images {0} to {1}"
.format(firstImage, lastImage))
time.sleep(5)
edPluginControlDozor = self.loadPlugin(
self.strPluginNameControlDozor,
"ControlDozor_reexecution_{0}".format(
os.path.splitext(firstImage)[0]))
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(
image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(
batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.executeSynchronous()
for imageDozor in edPluginControlDozor.dataOutput.imageDozor:
for xsDataImageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if xsDataImageQualityIndicators.image.path.value == imageDozor.image.path.value:
xsDataImageQualityIndicators.dozor_score = imageDozor.mainScore
xsDataImageQualityIndicators.dozorSpotFile = imageDozor.spotFile
if imageDozor.spotFile is not None:
if os.path.exists(
imageDozor.spotFile.path.value):
numpyArray = numpy.loadtxt(
imageDozor.spotFile.path.value,
skiprows=3)
xsDataImageQualityIndicators.dozorSpotList = XSDataString(
base64.b64encode(
numpyArray.tostring()))
xsDataImageQualityIndicators.addDozorSpotListShape(
XSDataInteger(numpyArray.shape[0]))
if len(numpyArray.shape) > 1:
xsDataImageQualityIndicators.addDozorSpotListShape(
XSDataInteger(numpyArray.shape[1]))
xsDataImageQualityIndicators.dozorSpotsIntAver = imageDozor.spotsIntAver
xsDataImageQualityIndicators.dozorSpotsResolution = imageDozor.spotsResolution
xsDataImageQualityIndicators.dozorVisibleResolution = imageDozor.visibleResolution
if self.xsDataResultControlImageQualityIndicators.inputDozor is None:
if edPluginControlDozor.dataOutput.inputDozor is not None:
self.xsDataResultControlImageQualityIndicators.inputDozor = XSDataDozorInput(
).parseString(
edPluginControlDozor.dataOutput.
inputDozor.marshal())
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have dozor_score from all images:
has_dozor_score = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.dozor_score is None:
has_dozor_score = False
if has_dozor_score:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators:
imageQualityIndicators.dozor_score.value)
else:
listSorted = sorted(
self.xsDataResultControlImageQualityIndicators.
imageQualityIndicators,
key=lambda imageQualityIndicators:
imageQualityIndicators.totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[
-5:]:
if xsDataResultControlImageQualityIndicator.dozor_score.value > 1:
xsDataInputReadImageHeader = XSDataInputReadImageHeader(
)
xsDataInputReadImageHeader.image = XSDataFile(
xsDataResultControlImageQualityIndicator.image.path
)
self.edPluginReadImageHeader = self.loadPlugin(
self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(
self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(
self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([
edPluginMOSFLMIndexing,
xsDataResultControlImageQualityIndicator
])
edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
def finallyProcess(self, _edPlugin=None):
EDPluginControl.finallyProcess(self, _edPlugin)
if self.edPluginISPyB is not None:
# Synchronize ISPyB plugin
self.DEBUG(
"EDPluginControlImageQualityIndicatorsv1_4.finallyProcess")
self.edPluginISPyB.synchronize()
listId = []
for xsDataInteger in self.edPluginISPyB.dataOutput.imageQualityIndicatorsId:
listId.append(xsDataInteger.value)
self.DEBUG("ISPyB imageQualityIndicatorIds = %r" % listId)
self.setDataOutput(self.xsDataResultControlImageQualityIndicators)
def generateExecutiveSummary(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlImageQualityIndicatorsv1_4.generateExecutiveSummary"
)
self.addErrorWarningMessagesToExecutiveSummary(
"Image quality indicator plugin execution failure! Error messages: "
)
self.addExecutiveSummaryLine(
"Summary of image quality indicators with %s :" %
self.strPluginName)
for edPluginPluginExecImageQualityIndicator in self.listPluginExecImageQualityIndicator:
self.addExecutiveSummaryLine("")
if edPluginPluginExecImageQualityIndicator is not None:
self.appendExecutiveSummary(
edPluginPluginExecImageQualityIndicator,
"Distl.signal_strength : ",
_bAddSeparator=False)
def getH5FilePath(self, filePath, batchSize=1, isFastMesh=False):
imageNumber = EDUtilsImage.getImageNumber(filePath)
prefix = EDUtilsImage.getPrefix(filePath)
if isFastMesh:
h5ImageNumber = int((imageNumber - 1) / 100) + 1
h5FileNumber = 1
else:
h5ImageNumber = 1
h5FileNumber = int((imageNumber - 1) / batchSize) * batchSize + 1
h5MasterFileName = "{prefix}_{h5FileNumber}_master.h5".format(
prefix=prefix, h5FileNumber=h5FileNumber)
h5MasterFilePath = os.path.join(os.path.dirname(filePath),
h5MasterFileName)
h5DataFileName = "{prefix}_{h5FileNumber}_data_{h5ImageNumber:06d}.h5".format(
prefix=prefix,
h5FileNumber=h5FileNumber,
h5ImageNumber=h5ImageNumber)
h5DataFilePath = os.path.join(os.path.dirname(filePath),
h5DataFileName)
return h5MasterFilePath, h5DataFilePath, h5FileNumber
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_3.preProcess")
# Load the plugins
self._edPluginControlIndexingIndicators = self.loadPlugin(self._strPluginControlIndexingIndicators, \
"Indexing")
self._edPluginControlIndexingLabelit = self.loadPlugin(self._strPluginControlIndexingLabelit, \
"IndexingLabelit")
self._edPluginExecEvaluationIndexingMOSFLM = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionMOSFLM")
self._edPluginExecEvaluationIndexingLABELIT = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionLABELIT")
self._edPluginControlGeneratePrediction = self.loadPlugin(self._strPluginControlGeneratePrediction, \
"GeneratePrediction")
self._edPluginControlIntegration = self.loadPlugin(self._strPluginControlIntegration, \
"Integration")
self._edPluginControlXDSGenerateBackgroundImage = self.loadPlugin(self._strPluginControlXDSGenerateBackgroundImage, \
"ControlXDSGenerateBackgroundImage")
self._edPluginControlStrategy = self.loadPlugin(self._strPluginControlStrategy, \
"Strategy")
if (self._edPluginControlIndexingIndicators is not None):
EDVerbose.DEBUG(
"EDPluginControlCharacterisationv1_3.preProcess: " +
self._strPluginControlIndexingIndicators +
" Found... setting Data Input")
# create Data Input for indexing
xsDataInputCharacterisation = self.getDataInput()
self._xsDataCollection = xsDataInputCharacterisation.getDataCollection(
)
# MXSUP-1445: Check if transmission is less than 10% and warn if it's the case
xsDataFirstSubWedge = self._xsDataCollection.getSubWedge()[0]
xsDataBeam = xsDataFirstSubWedge.getExperimentalCondition(
).getBeam()
if xsDataBeam.getTransmission() is not None:
fTransmission = xsDataBeam.getTransmission().getValue()
if fTransmission < self._fMinTransmission:
strWarningMessageBanner = "^" * 80
strWarningMessage1 = "WARNING! Transmission for characterisation set to %.1f %%" % fTransmission
strWarningMessage2 = "Please consider re-characterising with transmission set to 100 %"
self.warning(strWarningMessageBanner)
self.warning(strWarningMessage1)
self.warning(strWarningMessage2)
self.warning(strWarningMessageBanner)
self.addWarningMessage(strWarningMessageBanner)
self.addWarningMessage(strWarningMessage1)
self.addWarningMessage(strWarningMessage2)
self.addWarningMessage(strWarningMessageBanner)
xsDataCrystal = None
xsDataSubWedgeList = self._xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_3.preProcess: No subwedges in input data."
EDVerbose.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[
0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam(
).getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
strErrorMessage = "Input flux is negative or close to zero. Execution of characterisation aborted."
EDVerbose.ERROR(strErrorMessage)
self.addErrorMessage(
"EDPluginControlCharacterisationv1_3.preProcess ERROR: "
+ strErrorMessage)
#self.addComment(strErrorMessage)
self.setFailure()
xsDataDiffractionPlan = self._xsDataCollection.getDiffractionPlan(
)
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup(
)
if (xsDataStringForcedSpaceGroup is not None):
self._xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
self._xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
self._edPluginControlIndexingIndicators.setDataInput(
self._xsDataCollection, "dataCollection")
if self._xsDataCrystal is not None:
self._edPluginControlIndexingIndicators.setDataInput(
self._xsDataCrystal, "crystal")
# Populate characterisation object
self._xsDataResultCharacterisation = XSDataResultCharacterisation(
)
self._xsDataResultCharacterisation.setDataCollection(
XSDataCollection.parseString(
self._xsDataCollection.marshal()))
class EDPluginControlImageQualityIndicatorsv1_4(EDPluginControl):
"""
This plugin that control the plugin that generates the image quality indicators.
"""
def __init__ (self):
EDPluginControl.__init__(self)
self.strPluginMXWaitFileName = "EDPluginMXWaitFilev1_1"
self.strPluginName = "EDPluginDistlSignalStrengthv1_1"
self.strPluginNameThinClient = "EDPluginDistlSignalStrengthThinClientv1_1"
self.strPluginNameControlDozor = "EDPluginControlDozorv1_0"
self.strISPyBPluginName = "EDPluginISPyBStoreListOfImageQualityIndicatorsv1_4"
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.edPluginReadImageHeader = None
self.edPluginControlDozor = None
self.strPluginControlH5ToCBF = "EDPluginControlH5ToCBFv1_1"
self.setXSDataInputClass(XSDataInputControlImageQualityIndicators)
self.listPluginExecImageQualityIndicator = []
self.listPluginControlDozor = []
self.xsDataResultControlImageQualityIndicators = None
self.edPluginMXWaitFile = None
# Default time out for wait file
self.fMXWaitFileTimeOut = 30 # s
# Flag for using the thin client
self.bUseThinClient = True
self.edPluginISPyB = None
self.listPluginMOSFLM = []
self.defaultMinImageSize = 1000000
self.minImageSize = None
def checkParameters(self):
"""
Checks the mandatory parameters
"""
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.checkParameters")
self.checkMandatoryParameters(self.getDataInput().getImage(), "Image")
def configure(self, _edPlugin=None):
EDPluginControl.configure(self)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.configure")
self.fMXWaitFileTimeOut = float(self.config.get("MXWaitFileTimeOut", self.fMXWaitFileTimeOut))
self.minImageSize = self.config.get("minImageSize")
if self.minImageSize is None:
self.minImageSize = self.defaultMinImageSize
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.process")
EDUtilsParallel.initializeNbThread()
# Check batch size
if self.dataInput.batchSize is None:
batchSize = 1
else:
batchSize = self.dataInput.batchSize.value
self.screen("Batch size: {0}".format(batchSize))
# Check if we should do distlSignalStrength:
bDoDistlSignalStrength = True
if self.dataInput.doDistlSignalStrength is not None:
if not self.dataInput.doDistlSignalStrength.value:
bDoDistlSignalStrength = False
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Loop through all the incoming reference images
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators()
listPluginDistl = []
listPluginDozor = []
listBatch = []
indexBatch = 0
listH5FilePath = []
ispybDataCollection = None
for xsDataImage in listXSDataImage:
strPathToImage = xsDataImage.path.value
# If Eiger, just wait for the h5 file
if "id30a3" in strPathToImage:
h5MasterFilePath, h5DataFilePath, hdf5ImageNumber = self.getH5FilePath(strPathToImage, batchSize)
# print(h5FilePath)
# print(hdf5ImageNumber)
if not h5DataFilePath in listH5FilePath:
self.screen("ID30a3 Eiger data, waiting for master and data files...")
listH5FilePath.append(h5DataFilePath)
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(h5DataFilePath))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.screen("Waiting for file {0}".format(h5DataFilePath))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
# hdf5FilePath = strPathToImage.replace(".cbf", ".h5")
ispybDataCollection = None
time.sleep(1)
indexLoop = 1
continueLoop = True
while continueLoop:
xsDataInputControlH5ToCBF = XSDataInputControlH5ToCBF()
xsDataInputControlH5ToCBF.hdf5File = XSDataFile(XSDataString(strPathToImage))
imageNumber = EDUtilsImage.getImageNumber(strPathToImage)
xsDataInputControlH5ToCBF.imageNumber = XSDataInteger(imageNumber)
xsDataInputControlH5ToCBF.hdf5ImageNumber = XSDataInteger(hdf5ImageNumber)
xsDataInputControlH5ToCBF.ispybDataCollection = ispybDataCollection
edPluginControlH5ToCBF = self.loadPlugin(self.strPluginControlH5ToCBF, "ControlH5ToCBF_%04d_%02d" % (imageNumber, indexLoop))
edPluginControlH5ToCBF.dataInput = xsDataInputControlH5ToCBF
edPluginControlH5ToCBF.executeSynchronous()
cbfFile = edPluginControlH5ToCBF.dataOutput.outputCBFFile
# print(cbfFile)
# print(indexLoop)
if cbfFile is not None:
strPathToImage = cbfFile.path.value
# print(cbfFile.path.value)
if os.path.exists(strPathToImage):
self.screen("Image has been converted to CBF file: {0}".format(strPathToImage))
continueLoop = False
# print(continueLoop)
if continueLoop:
self.screen("Still waiting for converting to CBF file: {0}".format(strPathToImage))
indexLoop += 1
time.sleep(5)
if indexLoop > 10:
continueLoop = False
ispybDataCollection = edPluginControlH5ToCBF.dataOutput.ispybDataCollection
elif not os.path.exists(strPathToImage):
self.screen("Waiting for file {0}".format(strPathToImage))
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(strPathToImage))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(strPathToImage):
strError = "Time-out while waiting for image %s" % strPathToImage
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
# Check if we should run distl.signalStrength
xsDataImageNew = XSDataImage(XSDataString(strPathToImage))
edPluginPluginExecImageQualityIndicator = None
if bDoDistlSignalStrength:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(strPluginName)
self.listPluginExecImageQualityIndicator.append(edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength()
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImageNew)
edPluginPluginExecImageQualityIndicator.setDataInput(xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listPluginDistl.append((xsDataImageNew.copy(), edPluginPluginExecImageQualityIndicator))
listBatch.append(xsDataImageNew.copy())
if len(listBatch) == batchSize:
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor)
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append((edPluginControlDozor, listBatch))
listBatch = []
if len(listBatch) > 0:
# Process the remaining images...
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor)
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append([edPluginControlDozor, listBatch])
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators()
for (xsDataImage, edPluginPluginExecImageQualityIndicator) in listPluginDistl:
xsDataImageQualityIndicators = XSDataImageQualityIndicators()
xsDataImageQualityIndicators.image = xsDataImage.copy()
if edPluginPluginExecImageQualityIndicator is not None:
edPluginPluginExecImageQualityIndicator.synchronize()
if edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators is not None:
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(xsDataImageQualityIndicators)
for (edPluginControlDozor, listBatch) in listPluginDozor:
edPluginControlDozor.synchronize()
for imageDozor in edPluginControlDozor.dataOutput.imageDozor:
for xsDataImageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if xsDataImageQualityIndicators.image.path.value == imageDozor.image.path.value:
xsDataImageQualityIndicators.dozor_score = imageDozor.mainScore
xsDataImageQualityIndicators.dozorSpotFile = imageDozor.spotFile
if imageDozor.spotFile is not None:
if os.path.exists(imageDozor.spotFile.path.value):
numpyArray = numpy.loadtxt(imageDozor.spotFile.path.value, skiprows=3)
xsDataImageQualityIndicators.dozorSpotList = XSDataString(base64.b64encode(numpyArray.tostring()))
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[0]))
if len(numpyArray.shape) > 1:
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[1]))
xsDataImageQualityIndicators.dozorSpotsIntAver = imageDozor.spotsIntAver
xsDataImageQualityIndicators.dozorSpotsResolution = imageDozor.spotsResolution
if self.xsDataResultControlImageQualityIndicators.inputDozor is None:
if edPluginControlDozor.dataOutput.inputDozor is not None:
self.xsDataResultControlImageQualityIndicators.inputDozor = XSDataDozorInput().parseString(
edPluginControlDozor.dataOutput.inputDozor.marshal())
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have dozor_score from all images:
has_dozor_score = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.dozor_score is None:
has_dozor_score = False
if has_dozor_score:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.dozor_score.value)
else:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.goodBraggCandidates.value > 30:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([edPluginMOSFLMIndexing, xsDataResultControlImageQualityIndicator])
edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
# print xsDataIndexingResult.marshal()
# xsDataResultISPyB = edPluginISPyB.dataOutput
# if xsDataResultISPyB is not None:
# print xsDataResultISPyB.marshal()
def finallyProcess(self, _edPlugin=None):
EDPluginControl.finallyProcess(self, _edPlugin)
if self.edPluginISPyB is not None:
# Synchronize ISPyB plugin
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.finallyProcess")
self.edPluginISPyB.synchronize()
listId = []
for xsDataInteger in self.edPluginISPyB.dataOutput.imageQualityIndicatorsId:
listId.append(xsDataInteger.value)
self.DEBUG("ISPyB imageQualityIndicatorIds = %r" % listId)
self.setDataOutput(self.xsDataResultControlImageQualityIndicators)
def generateExecutiveSummary(self, _edPlugin=None):
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.generateExecutiveSummary")
self.addErrorWarningMessagesToExecutiveSummary("Image quality indicator plugin execution failure! Error messages: ")
self.addExecutiveSummaryLine("Summary of image quality indicators with %s :" % self.strPluginName)
for edPluginPluginExecImageQualityIndicator in self.listPluginExecImageQualityIndicator:
self.addExecutiveSummaryLine("")
if edPluginPluginExecImageQualityIndicator is not None:
self.appendExecutiveSummary(edPluginPluginExecImageQualityIndicator, "Distl.signal_strength : ", _bAddSeparator=False)
def getH5FilePath(self, filePath, batchSize=1):
imageNumber = EDUtilsImage.getImageNumber(filePath)
prefix = EDUtilsImage.getPrefix(filePath)
h5FileNumber = int((imageNumber - 1) / batchSize) * batchSize + 1
h5MasterFileName = "{prefix}_{h5FileNumber}_master.h5".format(prefix=prefix,
h5FileNumber=h5FileNumber)
h5MasterFilePath = os.path.join(os.path.dirname(filePath), h5MasterFileName)
h5DataFileName = "{prefix}_{h5FileNumber}_data_000001.h5".format(prefix=prefix,
h5FileNumber=h5FileNumber)
h5DataFilePath = os.path.join(os.path.dirname(filePath), h5DataFileName)
return h5MasterFilePath, h5DataFilePath, h5FileNumber
class EDPluginControlImageQualityIndicatorsv1_4(EDPluginControl):
"""
This plugin that control the plugin that generates the image quality indicators.
"""
def __init__ (self):
EDPluginControl.__init__(self)
self.strPluginMXWaitFileName = "EDPluginMXWaitFilev1_1"
self.strPluginName = "EDPluginDistlSignalStrengthv1_1"
self.strPluginNameThinClient = "EDPluginDistlSignalStrengthThinClientv1_1"
self.strPluginNameControlDozor = "EDPluginControlDozorv1_0"
self.strISPyBPluginName = "EDPluginISPyBStoreListOfImageQualityIndicatorsv1_4"
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.edPluginReadImageHeader = None
self.edPluginControlDozor = None
self.strPluginControlH5ToCBF = "EDPluginControlH5ToCBFv1_1"
self.setXSDataInputClass(XSDataInputControlImageQualityIndicators)
self.listPluginExecImageQualityIndicator = []
self.listPluginControlDozor = []
self.xsDataResultControlImageQualityIndicators = None
self.edPluginMXWaitFile = None
# Default time out for wait file
self.fMXWaitFileTimeOut = 120 # s
# Flag for using the thin client - disabled as of 2016/07/20
self.bUseThinClient = False
self.edPluginISPyB = None
self.listPluginMOSFLM = []
self.defaultMinImageSize = 1000000
self.minImageSize = None
self.strEDPluginControlReadImageHeaderName = "EDPluginControlReadImageHeaderv10"
self.hasOverlap = False
def checkParameters(self):
"""
Checks the mandatory parameters
"""
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.checkParameters")
# self.checkMandatoryParameters(self.getDataInput().getImage(), "Image")
def configure(self, _edPlugin=None):
EDPluginControl.configure(self)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.configure")
self.fMXWaitFileTimeOut = float(self.config.get("MXWaitFileTimeOut", self.fMXWaitFileTimeOut))
self.minImageSize = self.config.get("minImageSize")
if self.minImageSize is None:
self.minImageSize = self.defaultMinImageSize
def process(self, _edPlugin=None):
"""
Executes the execution plugins
"""
EDPluginControl.process(self, _edPlugin)
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.process")
EDUtilsParallel.initializeNbThread()
# Check batch size
if self.dataInput.batchSize is None:
batchSize = 1
else:
batchSize = self.dataInput.batchSize.value
self.screen("Image quality indicators batch size: {0}".format(batchSize))
# Check if we should do distlSignalStrength:
bDoDistlSignalStrength = True
if self.dataInput.doDistlSignalStrength is not None:
if not self.dataInput.doDistlSignalStrength.value:
bDoDistlSignalStrength = False
# Check if we should do indexing:
bDoIndexing = False
if self.dataInput.doIndexing is not None:
if self.dataInput.doIndexing.value:
bDoIndexing = True
# Check if fast mesh (for HDF5)
isFastMesh = False
if self.dataInput.fastMesh:
isFastMesh = self.dataInput.fastMesh.value
# Loop through all the incoming reference images
if len(self.dataInput.image) == 0:
directory = self.dataInput.directory.path.value
template = self.dataInput.template.value
startNo = self.dataInput.startNo.value
endNo = self.dataInput.endNo.value
listXSDataImage = []
for index in range(startNo, endNo + 1):
imageName = template.replace("####", "{0:04d}".format(index))
imagePath = os.path.join(directory, imageName)
xsDataImage = XSDataImage(path=XSDataString(imagePath), number=XSDataInteger(index))
listXSDataImage.append(xsDataImage)
else:
listXSDataImage = self.dataInput.image
xsDataInputMXWaitFile = XSDataInputMXWaitFile()
self.xsDataResultControlImageQualityIndicators = XSDataResultControlImageQualityIndicators()
listPluginDistl = []
listPluginDozor = []
listOfImagesInBatch = []
listOfAllBatches = []
indexBatch = 0
listH5FilePath = []
# Process data in batches
for xsDataImage in listXSDataImage:
listOfImagesInBatch.append(xsDataImage.copy())
if len(listOfImagesInBatch) == batchSize:
listOfAllBatches.append(listOfImagesInBatch)
listOfImagesInBatch = []
if len(listOfImagesInBatch) > 0:
listOfAllBatches.append(listOfImagesInBatch)
listOfImagesInBatch = []
# Loop over batches
for listOfImagesInBatch in listOfAllBatches:
# First wait for images
for image in listOfImagesInBatch:
strPathToImage = image.path.value
# If Eiger, just wait for the h5 file
if strPathToImage.endswith(".h5"):
h5MasterFilePath, h5DataFilePath, hdf5ImageNumber = self.getH5FilePath(strPathToImage,
batchSize=batchSize,
isFastMesh=isFastMesh)
# print(h5FilePath)
# print(hdf5ImageNumber)
if not h5DataFilePath in listH5FilePath:
self.screen("ID30a3 Eiger data, waiting for master and data files...")
listH5FilePath.append(h5DataFilePath)
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(h5DataFilePath))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.screen("Waiting for file {0}".format(h5DataFilePath))
self.DEBUG("Wait file timeOut set to %f" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
# hdf5FilePath = strPathToImage.replace(".cbf", ".h5")
time.sleep(1)
if not os.path.exists(h5DataFilePath):
strError = "Time-out while waiting for image %s" % h5DataFilePath
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
else:
if not os.path.exists(strPathToImage):
# self.screen("Waiting for file {0}".format(strPathToImage))
self.edPluginMXWaitFile = self.loadPlugin(self.strPluginMXWaitFileName)
xsDataInputMXWaitFile.file = XSDataFile(XSDataString(strPathToImage))
xsDataInputMXWaitFile.setSize(XSDataInteger(self.minImageSize))
xsDataInputMXWaitFile.setTimeOut(XSDataTime(self.fMXWaitFileTimeOut))
self.screen("Wait file timeOut set to %.0f s" % self.fMXWaitFileTimeOut)
self.edPluginMXWaitFile.setDataInput(xsDataInputMXWaitFile)
self.edPluginMXWaitFile.executeSynchronous()
if not os.path.exists(strPathToImage):
strError = "Time-out while waiting for image %s" % strPathToImage
self.error(strError)
self.addErrorMessage(strError)
self.setFailure()
if not self.isFailure():
strPathToFirstImage = listOfImagesInBatch[0].path.value
if strPathToImage.endswith(".h5"):
indexLoop = 1
continueLoop = True
while continueLoop:
directory = os.path.dirname(strPathToFirstImage)
firstImage = EDUtilsImage.getImageNumber(listOfImagesInBatch[0].path.value)
lastImage = EDUtilsImage.getImageNumber(listOfImagesInBatch[-1].path.value)
xsDataInputH5ToCBF = XSDataInputH5ToCBF()
xsDataInputH5ToCBF.hdf5File = XSDataFile(listOfImagesInBatch[0].path)
xsDataInputH5ToCBF.hdf5ImageNumber = XSDataInteger(1)
xsDataInputH5ToCBF.startImageNumber = XSDataInteger(firstImage)
xsDataInputH5ToCBF.endImageNumber = XSDataInteger(lastImage)
xsDataInputH5ToCBF.forcedOutputDirectory = XSDataFile(XSDataString(directory))
edPluginH5ToCBF = self.loadPlugin("EDPluginH5ToCBFv1_1")
edPluginH5ToCBF.dataInput = xsDataInputH5ToCBF
edPluginH5ToCBF.execute()
edPluginH5ToCBF.synchronize()
outputCBFFileTemplate = edPluginH5ToCBF.dataOutput.outputCBFFileTemplate
if outputCBFFileTemplate is not None:
lastCbfFile = outputCBFFileTemplate.path.value.replace("######", "{0:06d}".format(EDUtilsImage.getImageNumber(listOfImagesInBatch[-1].path.value)))
strPathToImage = os.path.join(directory, lastCbfFile)
# print(cbfFile.path.value)
if os.path.exists(strPathToImage):
# Rename all images
for image in listOfImagesInBatch:
image.path.value = image.path.value.replace(".h5", ".cbf")
imageNumber = EDUtilsImage.getImageNumber(image.path.value)
oldPath = os.path.join(directory, outputCBFFileTemplate.path.value.replace("######", "{0:06d}".format(imageNumber)))
newPath = os.path.join(directory, outputCBFFileTemplate.path.value.replace("######", "{0:04d}".format(imageNumber)))
os.rename(oldPath, newPath)
lastCbfFile = outputCBFFileTemplate.path.value.replace("######", "{0:04d}".format(EDUtilsImage.getImageNumber(listOfImagesInBatch[-1].path.value)))
strPathToImage = os.path.join(directory, lastCbfFile)
self.screen("Image has been converted to CBF file: {0}".format(strPathToImage))
continueLoop = False
# print(continueLoop)
if continueLoop:
self.screen("Still waiting for converting to CBF file: {0}".format(strPathToImage))
indexLoop += 1
time.sleep(5)
if indexLoop > 10:
continueLoop = False
for image in listOfImagesInBatch:
strPathToImage = image.path.value
# Check if we should run distl.signalStrength
xsDataImageNew = XSDataImage(XSDataString(strPathToImage))
xsDataImageNew.number = XSDataInteger(EDUtilsImage.getImageNumber(image.path.value))
edPluginPluginExecImageQualityIndicator = None
if bDoDistlSignalStrength:
if self.bUseThinClient:
strPluginName = self.strPluginNameThinClient
else:
strPluginName = self.strPluginName
edPluginPluginExecImageQualityIndicator = self.loadPlugin(strPluginName)
self.listPluginExecImageQualityIndicator.append(edPluginPluginExecImageQualityIndicator)
xsDataInputDistlSignalStrength = XSDataInputDistlSignalStrength()
xsDataInputDistlSignalStrength.setReferenceImage(xsDataImageNew)
edPluginPluginExecImageQualityIndicator.setDataInput(xsDataInputDistlSignalStrength)
edPluginPluginExecImageQualityIndicator.execute()
listPluginDistl.append((xsDataImageNew.copy(), edPluginPluginExecImageQualityIndicator))
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor,
"ControlDozor_{0}".format(os.path.splitext(os.path.basename(strPathToFirstImage))[0]))
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listOfImagesInBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(len(listOfImagesInBatch))
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.execute()
listPluginDozor.append((edPluginControlDozor, list(listOfImagesInBatch)))
if not self.isFailure():
listIndexing = []
# Synchronize all image quality indicator plugins and upload to ISPyB
xsDataInputStoreListOfImageQualityIndicators = XSDataInputStoreListOfImageQualityIndicators()
for (xsDataImage, edPluginPluginExecImageQualityIndicator) in listPluginDistl:
xsDataImageQualityIndicators = XSDataImageQualityIndicators()
xsDataImageQualityIndicators.image = xsDataImage.copy()
if edPluginPluginExecImageQualityIndicator is not None:
edPluginPluginExecImageQualityIndicator.synchronize()
if edPluginPluginExecImageQualityIndicator.dataOutput is not None:
if edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators is not None:
xsDataImageQualityIndicators = XSDataImageQualityIndicators.parseString(\
edPluginPluginExecImageQualityIndicator.dataOutput.imageQualityIndicators.marshal())
self.xsDataResultControlImageQualityIndicators.addImageQualityIndicators(xsDataImageQualityIndicators)
for (edPluginControlDozor, listBatch) in listPluginDozor:
edPluginControlDozor.synchronize()
# Check that we got at least one result
if len(edPluginControlDozor.dataOutput.imageDozor) == 0:
# Run the dozor plugin again, this time synchronously
firstImage = os.path.basename(listBatch[0].path.value)
lastImage = os.path.basename(listBatch[-1].path.value)
self.screen("No dozor results! Re-executing Dozor for images {0} to {1}".format(firstImage, lastImage))
time.sleep(5)
edPluginControlDozor = self.loadPlugin(self.strPluginNameControlDozor, "ControlDozor_reexecution_{0}".format(os.path.splitext(firstImage)[0]))
xsDataInputControlDozor = XSDataInputControlDozor()
for image in listBatch:
xsDataInputControlDozor.addImage(XSDataFile(image.path))
xsDataInputControlDozor.batchSize = XSDataInteger(batchSize)
edPluginControlDozor.dataInput = xsDataInputControlDozor
edPluginControlDozor.executeSynchronous()
for imageDozor in edPluginControlDozor.dataOutput.imageDozor:
for xsDataImageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if xsDataImageQualityIndicators.image.path.value == imageDozor.image.path.value:
xsDataImageQualityIndicators.dozor_score = imageDozor.mainScore
xsDataImageQualityIndicators.dozorSpotFile = imageDozor.spotFile
if imageDozor.spotFile is not None:
if os.path.exists(imageDozor.spotFile.path.value):
numpyArray = numpy.loadtxt(imageDozor.spotFile.path.value, skiprows=3)
xsDataImageQualityIndicators.dozorSpotList = XSDataString(base64.b64encode(numpyArray.tostring()))
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[0]))
if len(numpyArray.shape) > 1:
xsDataImageQualityIndicators.addDozorSpotListShape(XSDataInteger(numpyArray.shape[1]))
xsDataImageQualityIndicators.dozorSpotsIntAver = imageDozor.spotsIntAver
xsDataImageQualityIndicators.dozorSpotsResolution = imageDozor.spotsResolution
xsDataImageQualityIndicators.dozorVisibleResolution = imageDozor.visibleResolution
if self.xsDataResultControlImageQualityIndicators.inputDozor is None:
if edPluginControlDozor.dataOutput.inputDozor is not None:
self.xsDataResultControlImageQualityIndicators.inputDozor = XSDataDozorInput().parseString(
edPluginControlDozor.dataOutput.inputDozor.marshal())
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
xsDataISPyBImageQualityIndicators = \
XSDataISPyBImageQualityIndicators.parseString(xsDataImageQualityIndicators.marshal())
xsDataInputStoreListOfImageQualityIndicators.addImageQualityIndicators(xsDataISPyBImageQualityIndicators)
# print xsDataInputStoreListOfImageQualityIndicators.marshal()
if self.dataInput.doUploadToIspyb is not None and self.dataInput.doUploadToIspyb.value:
self.edPluginISPyB = self.loadPlugin(self.strISPyBPluginName)
self.edPluginISPyB.dataInput = xsDataInputStoreListOfImageQualityIndicators
self.edPluginISPyB.execute()
#
if bDoIndexing:
# Find the 5 most intensive images (TIS):
listImage = []
# Check that we have dozor_score from all images:
has_dozor_score = True
for imageQualityIndicators in self.xsDataResultControlImageQualityIndicators.imageQualityIndicators:
if imageQualityIndicators.dozor_score is None:
has_dozor_score = False
if has_dozor_score:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.dozor_score.value)
else:
listSorted = sorted(self.xsDataResultControlImageQualityIndicators.imageQualityIndicators,
key=lambda imageQualityIndicators: imageQualityIndicators.totalIntegratedSignal.value)
for xsDataResultControlImageQualityIndicator in listSorted[-5:]:
if xsDataResultControlImageQualityIndicator.dozor_score.value > 1:
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.image = XSDataFile(xsDataResultControlImageQualityIndicator.image.path)
self.edPluginReadImageHeader = self.loadPlugin(self.strPluginReadImageHeaderName)
self.edPluginReadImageHeader.dataInput = xsDataInputReadImageHeader
self.edPluginReadImageHeader.executeSynchronous()
xsDataResultReadImageHeader = self.edPluginReadImageHeader.dataOutput
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.subWedge
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(xsDataIndexingInput)
edPluginMOSFLMIndexing = self.loadPlugin(self.strIndexingMOSFLMPluginName)
self.listPluginMOSFLM.append([edPluginMOSFLMIndexing, xsDataResultControlImageQualityIndicator])
edPluginMOSFLMIndexing.setDataInput(xsDataMOSFLMIndexingInput)
edPluginMOSFLMIndexing.execute()
for tupleMOSFLM in self.listPluginMOSFLM:
edPluginMOSFLMIndexing = tupleMOSFLM[0]
xsDataResultControlImageQualityIndicator = tupleMOSFLM[1]
edPluginMOSFLMIndexing.synchronize()
if not edPluginMOSFLMIndexing.isFailure():
xsDataMOSFLMOutput = edPluginMOSFLMIndexing.dataOutput
xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(xsDataMOSFLMOutput)
selectedSolution = xsDataIndexingResult.selectedSolution
if selectedSolution is not None:
xsDataResultControlImageQualityIndicator.selectedIndexingSolution = selectedSolution
def finallyProcess(self, _edPlugin=None):
EDPluginControl.finallyProcess(self, _edPlugin)
if self.edPluginISPyB is not None:
# Synchronize ISPyB plugin
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.finallyProcess")
self.edPluginISPyB.synchronize()
listId = []
for xsDataInteger in self.edPluginISPyB.dataOutput.imageQualityIndicatorsId:
listId.append(xsDataInteger.value)
self.DEBUG("ISPyB imageQualityIndicatorIds = %r" % listId)
self.setDataOutput(self.xsDataResultControlImageQualityIndicators)
def generateExecutiveSummary(self, _edPlugin=None):
self.DEBUG("EDPluginControlImageQualityIndicatorsv1_4.generateExecutiveSummary")
self.addErrorWarningMessagesToExecutiveSummary("Image quality indicator plugin execution failure! Error messages: ")
self.addExecutiveSummaryLine("Summary of image quality indicators with %s :" % self.strPluginName)
for edPluginPluginExecImageQualityIndicator in self.listPluginExecImageQualityIndicator:
self.addExecutiveSummaryLine("")
if edPluginPluginExecImageQualityIndicator is not None:
self.appendExecutiveSummary(edPluginPluginExecImageQualityIndicator, "Distl.signal_strength : ", _bAddSeparator=False)
def getH5FilePath(self, filePath, batchSize=1, isFastMesh=False):
imageNumber = EDUtilsImage.getImageNumber(filePath)
prefix = EDUtilsImage.getPrefix(filePath)
if isFastMesh:
h5ImageNumber = int((imageNumber - 1) / 100) + 1
h5FileNumber = 1
else:
h5ImageNumber = 1
h5FileNumber = int((imageNumber - 1) / batchSize) * batchSize + 1
h5MasterFileName = "{prefix}_{h5FileNumber}_master.h5".format(prefix=prefix,
h5FileNumber=h5FileNumber)
h5MasterFilePath = os.path.join(os.path.dirname(filePath), h5MasterFileName)
h5DataFileName = "{prefix}_{h5FileNumber}_data_{h5ImageNumber:06d}.h5".format(prefix=prefix,
h5FileNumber=h5FileNumber,
h5ImageNumber=h5ImageNumber)
h5DataFilePath = os.path.join(os.path.dirname(filePath), h5DataFileName)
return h5MasterFilePath, h5DataFilePath, h5FileNumber
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
self.DEBUG("EDPluginControlCharacterisationv1_4.preProcess")
self._xsDataResultCharacterisation = XSDataResultCharacterisation()
# Load the plugins
self._edPluginControlIndexingIndicators = self.loadPlugin(self._strPluginControlIndexingIndicators, \
"Indexing")
self._edPluginExecEvaluationIndexingLABELIT = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionLABELIT")
self._edPluginControlIndexingMOSFLM = self.loadPlugin(self._strPluginControlIndexingMOSFLM, \
"IndexingMOSFLM")
self._edPluginExecEvaluationIndexingMOSFLM = self.loadPlugin(self._strPluginExecEvaluationIndexing, \
"IndexingEvalualtionMOSFLM")
self._edPluginControlGeneratePrediction = self.loadPlugin(self._strPluginControlGeneratePrediction, \
"GeneratePrediction")
self._edPluginControlIntegration = self.loadPlugin(self._strPluginControlIntegration, \
"Integration")
self._edPluginControlXDSGenerateBackgroundImage = self.loadPlugin(self._strPluginControlXDSGenerateBackgroundImage, \
"ControlXDSGenerateBackgroundImage")
self._edPluginControlStrategy = self.loadPlugin(self._strPluginControlStrategy, \
"Strategy")
if self._runKappa:
self._edPluginControlKappa = self.loadPlugin(
self._strPluginControlKappaName, "Kappa")
if (self._edPluginControlIndexingIndicators is not None):
self.DEBUG("EDPluginControlCharacterisationv1_4.preProcess: " +
self._strPluginControlIndexingIndicators +
" Found... setting Data Input")
# create Data Input for indexing
xsDataInputCharacterisation = self.getDataInput()
self._xsDataCollection = xsDataInputCharacterisation.getDataCollection(
)
# MXSUP-1445: Check if transmission is less than 10% and warn if it's the case
xsDataFirstSubWedge = self._xsDataCollection.getSubWedge()[0]
xsDataBeam = xsDataFirstSubWedge.getExperimentalCondition(
).getBeam()
if xsDataBeam.getTransmission() is not None:
fTransmission = xsDataBeam.getTransmission().getValue()
if fTransmission < self._fMinTransmission:
strWarningMessageBanner = "^" * 80
strWarningMessage1 = "WARNING! Transmission for characterisation set to %.1f %%" % fTransmission
strWarningMessage2 = "Please consider re-characterising with transmission set to 100 %"
self.warning(strWarningMessageBanner)
self.warning(strWarningMessage1)
self.warning(strWarningMessage2)
self.warning(strWarningMessageBanner)
self.addWarningMessage(strWarningMessageBanner)
self.addWarningMessage(strWarningMessage1)
self.addWarningMessage(strWarningMessage2)
self.addWarningMessage(strWarningMessageBanner)
self.sendMessageToMXCuBE(strWarningMessage1, "warning")
self.sendMessageToMXCuBE(strWarningMessage2, "warning")
xsDataCrystal = None
xsDataSubWedgeList = self._xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_4.preProcess: No subwedges in input data."
self.ERROR(strError)
self.setFailure()
else:
# Load the thumbnail plugins
self._iNoReferenceImages = 0
for subWedge in xsDataInputCharacterisation.dataCollection.subWedge:
for image in subWedge.image:
self._iNoReferenceImages += 1
edPluginJpeg = self.loadPlugin(
self._strPluginGenerateThumbnailName)
xsDataInputMXThumbnail = XSDataInputMXThumbnail()
xsDataInputMXThumbnail.image = XSDataFile(image.path)
xsDataInputMXThumbnail.height = XSDataInteger(1024)
xsDataInputMXThumbnail.width = XSDataInteger(1024)
jpegFilename = os.path.splitext(
os.path.basename(image.path.value))[0] + ".jpg"
xsDataInputMXThumbnail.outputPath = XSDataFile(
XSDataString(
os.path.join(self.getWorkingDirectory(),
jpegFilename)))
edPluginJpeg.dataInput = xsDataInputMXThumbnail
edPluginThumnail = self.loadPlugin(
self._strPluginGenerateThumbnailName)
xsDataInputMXThumbnail = XSDataInputMXThumbnail()
xsDataInputMXThumbnail.image = XSDataFile(image.path)
xsDataInputMXThumbnail.height = XSDataInteger(256)
xsDataInputMXThumbnail.width = XSDataInteger(256)
thumbnailFilename = os.path.splitext(
os.path.basename(
image.path.value))[0] + ".thumbnail.jpg"
xsDataInputMXThumbnail.outputPath = XSDataFile(
XSDataString(
os.path.join(self.getWorkingDirectory(),
thumbnailFilename)))
edPluginThumnail.dataInput = xsDataInputMXThumbnail
self._listPluginGenerateThumbnail.append(
(image, edPluginJpeg, edPluginThumnail))
edPluginJpeg.execute()
edPluginThumnail.execute()
xsDataExperimentalCondition = xsDataSubWedgeList[
0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam(
).getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
strErrorMessage = "Input flux is negative or close to zero. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage(
"EDPluginControlCharacterisationv1_4.preProcess ERROR: "
+ strErrorMessage)
# self.addComment(strErrorMessage)
self.setFailure()
xsDataDiffractionPlan = self._xsDataCollection.getDiffractionPlan(
)
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup(
)
if (xsDataStringForcedSpaceGroup is not None):
self._xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
self._xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
self._edPluginControlIndexingIndicators.setDataInput(
self._xsDataCollection, "dataCollection")
if self._xsDataCrystal is not None:
self._edPluginControlIndexingIndicators.setDataInput(
self._xsDataCrystal, "crystal")
# Populate characterisation object
self._xsDataResultCharacterisation.setDataCollection(
XSDataCollection.parseString(
self._xsDataCollection.marshal()))
class EDPluginControlGridScreeningv1_0(EDPluginControl):
"""
This plugin is a "light-weight" characterisation to be used for processing
images from grid scans.
"""
def __init__(self):
EDPluginControl.__init__(self)
self.setXSDataInputClass(XSDataInputGridScreening)
self.strControlReadImageHeaderPluginName = "EDPluginControlReadImageHeaderv10"
self.edPluginControlReadImageHeader = None
self.strControlledIndicatorsPluginName = "EDPluginControlImageQualityIndicatorsv1_1"
self.edPluginControlIndicators = None
self.strISPyBStoreImageQualityIndicatorsPluginName = "EDPluginISPyBStoreImageQualityIndicatorsv1_3"
self.edPluginISPyBStoreImageQualityIndicators = None
self.strIndexingMOSFLMPluginName = "EDPluginMOSFLMIndexingv10"
self.edPluginMOSFLMIndexing = None
self.strPluginControlIntegration = "EDPluginControlIntegrationv10"
self.edPluginControlIntegration = None
self.strPluginControlStrategy = "EDPluginControlStrategyv1_2"
self.edPluginControlStrategy = None
self.strPluginExecMtz2Various = "EDPluginExecMtz2Variousv1_0"
self.edPluginExecMtz2Various = None
self.strImageFile = None
self.xsDataIndexingResultMOSFLM = None
self.xsDataCrystal = None
self.strCharacterisationShortSummary = ""
self.strStatusMessage = ""
self.xsDataDiffractionPlan = None
self.xsDataCollection = None
self.xsDataIndexingResult = None
self.xsDataStrategyResult = None
self.xsDataImageQualityIndicators = None
self.bStoreImageQualityIndicatorsInISPyB = False
self.bDoOnlyImageQualityIndicators = False
self.bDoOnlyIntegrationWithXMLOutput = False
self.iImageQualityIndicatorsId = None
self.xsDataGridScreeningResultIntegration = None
def checkParameters(self):
"""
Checks the mandatory parameters.
"""
self.DEBUG("EDPluginControlGridScreeningv1_0.checkParameters")
self.checkMandatoryParameters(self.getDataInput(),
"Data Input is None")
self.checkMandatoryParameters(self.getDataInput().getImageFile(),
"imageFile")
def preProcess(self, _edObject=None):
EDPluginControl.preProcess(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.preProcess")
# Load the plugins
self.edPluginControlReadImageHeader = self.loadPlugin(self.strControlReadImageHeaderPluginName, \
"ReadImageHeader")
self.edPluginControlIndicators = self.loadPlugin(self.strControlledIndicatorsPluginName, \
"ControlIndicators")
self.edPluginMOSFLMIndexing = self.loadPlugin(self.strIndexingMOSFLMPluginName, \
"IndexingMOSFLM")
self.edPluginControlIntegration = self.loadPlugin(self.strPluginControlIntegration, \
"Integration")
self.edPluginControlStrategy = self.loadPlugin(self.strPluginControlStrategy, \
"Strategy")
self.edPluginExecMtz2Various = self.loadPlugin(self.strPluginExecMtz2Various, \
"Mtz2Various")
# Input data
self.strImageFile = self.getDataInput().getImageFile().getPath(
).getValue()
self.xsDataGridScreeningFileNameParameters = self.getFileNameParameters(
self.strImageFile)
self.xsDataDiffractionPlan = self.getDataInput().getDiffractionPlan()
if self.xsDataDiffractionPlan is None:
self.xsDataDiffractionPlan = XSDataDiffractionPlan()
if self.xsDataDiffractionPlan.getMaxExposureTimePerDataCollection(
) is None:
# Default max esposure time: 10000s
self.xsDataDiffractionPlan.setMaxExposureTimePerDataCollection(
XSDataTime(10000))
self.xsDataDiffractionPlan.setEstimateRadiationDamage(
XSDataBoolean(False))
# Image quality indicators
if self.getDataInput().getStoreImageQualityIndicatorsInISPyB():
self.bStoreImageQualityIndicatorsInISPyB = self.getDataInput(
).getStoreImageQualityIndicatorsInISPyB().getValue()
if self.getDataInput().getDoOnlyImageQualityIndicators():
self.bDoOnlyImageQualityIndicators = self.getDataInput(
).getDoOnlyImageQualityIndicators().getValue()
if self.getDataInput().getDoOnlyIntegrationWithXMLOutput():
self.bDoOnlyIntegrationWithXMLOutput = self.getDataInput(
).getDoOnlyIntegrationWithXMLOutput().getValue()
if self.bStoreImageQualityIndicatorsInISPyB:
self.edPluginISPyBStoreImageQualityIndicators = self.loadPlugin(self.strISPyBStoreImageQualityIndicatorsPluginName, \
"ISPyBStoreImageQualityIndicators")
def process(self, _edObject=None):
EDPluginControl.process(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.process")
xsDataInputReadImageHeader = XSDataInputReadImageHeader()
xsDataInputReadImageHeader.setImage(image=XSDataFile(
path=XSDataString(self.strImageFile)))
self.edPluginControlReadImageHeader.setDataInput(
xsDataInputReadImageHeader)
self.edPluginControlReadImageHeader.connectSUCCESS(
self.doSuccessReadImageHeader)
self.edPluginControlReadImageHeader.connectFAILURE(
self.doFailureReadImageHeader)
self.executePluginSynchronous(self.edPluginControlReadImageHeader)
def finallyProcess(self, _edObject=None):
EDPluginControl.finallyProcess(self)
self.DEBUG("EDPluginControlGridScreeningv1_0.finallyProcess")
# Synchronise if necessary
if self.edPluginISPyBStoreImageQualityIndicators is not None:
self.edPluginISPyBStoreImageQualityIndicators.synchronize()
# Build up the output object
strComment = ""
xsDataResultGridScreening = XSDataResultGridScreening()
if self.xsDataGridScreeningFileNameParameters is not None:
xsDataResultGridScreening.setFileNameParameters(
self.xsDataGridScreeningFileNameParameters)
if self.xsDataImageQualityIndicators is None:
strComment = "No image quality indicators"
else:
xsDataResultGridScreening.setImageQualityIndicators(
self.xsDataImageQualityIndicators)
if self.xsDataImageQualityIndicators.getIceRings().getValue() > 1:
strComment = "Ice rings detected"
if self.xsDataIndexingResult is None:
if strComment == "":
strComment = "No indexing result"
else:
strComment += ", no indexing result"
else:
xsDataSelectedSolution = self.xsDataIndexingResult.getSelectedSolution(
)
xsDataResultGridScreening.setMosaicity(
xsDataSelectedSolution.getCrystal().getMosaicity())
if self.xsDataStrategyResult is None:
if strComment == "":
strComment = "No strategy result"
else:
strComment += ", no strategy result"
else:
xsDataCollectionPlan = self.xsDataStrategyResult.getCollectionPlan(
)[0]
xsDataStrategySummary = xsDataCollectionPlan.getStrategySummary(
)
xsDataResultGridScreening.setRankingResolution(
xsDataStrategySummary.getRankingResolution())
xsDataResultGridScreening.setResultIntegration(
self.xsDataGridScreeningResultIntegration)
xsDataResultGridScreening.setComment(XSDataString(strComment))
if self.iImageQualityIndicatorsId is not None:
xsDataResultGridScreening.setImageQualityIndicatorsId(
XSDataInteger(self.iImageQualityIndicatorsId))
#print xsDataResultGridScreening.marshal()
self.setDataOutput(xsDataResultGridScreening)
def doSuccessReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
xsDataResultReadImageHeader = self.edPluginControlReadImageHeader.getDataOutput(
)
if xsDataResultReadImageHeader is not None:
xsDataSubWedge = xsDataResultReadImageHeader.getSubWedge()
self.xsDataCollection = XSDataCollection()
self.xsDataCollection.addSubWedge(xsDataSubWedge)
self.xsDataCollection.setDiffractionPlan(
self.xsDataDiffractionPlan)
if not self.bDoOnlyIntegrationWithXMLOutput:
xsDataInputControlImageQualityIndicators = XSDataInputControlImageQualityIndicators(
)
xsDataInputControlImageQualityIndicators.addImage(
XSDataImage(path=XSDataString(self.strImageFile)))
self.edPluginControlIndicators.setDataInput(
xsDataInputControlImageQualityIndicators)
self.edPluginControlIndicators.connectSUCCESS(
self.doSuccessIndicators)
self.edPluginControlIndicators.connectFAILURE(
self.doFailureIndicators)
self.executePluginSynchronous(self.edPluginControlIndicators)
else:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(
self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(
self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def doFailureReadImageHeader(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureReadImageHeader")
self.retrieveFailureMessages(
_edPlugin,
"EDPluginControlGridScreeningv1_0.doSuccessReadImageHeader")
def doSuccessIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIndicators")
#self.retrieveSuccessMessages(_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessIndexingIndicators")
if self.edPluginControlIndicators.hasDataOutput():
self.xsDataImageQualityIndicators = self.edPluginControlIndicators.getDataOutput(
).getImageQualityIndicators()[0]
# Store results in ISPyB if requested
if self.bStoreImageQualityIndicatorsInISPyB:
xsDataInputStoreImageQualityIndicators = XSDataInputStoreImageQualityIndicators(
)
xsDataISPyBImageQualityIndicators = XSDataISPyBImageQualityIndicators.parseString(
self.xsDataImageQualityIndicators.marshal())
xsDataInputStoreImageQualityIndicators.setImageQualityIndicators(
xsDataISPyBImageQualityIndicators)
self.edPluginISPyBStoreImageQualityIndicators.setDataInput(
xsDataInputStoreImageQualityIndicators)
self.edPluginISPyBStoreImageQualityIndicators.connectSUCCESS(
self.doSuccessISPyBStoreImageQualityIndicators)
self.edPluginISPyBStoreImageQualityIndicators.connectFAILURE(
self.doFailureISPyBStoreImageQualityIndicators)
self.edPluginISPyBStoreImageQualityIndicators.execute()
# Continue only if requested
if not self.bDoOnlyImageQualityIndicators:
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(self.xsDataCollection)
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
xsDataMOSFLMIndexingInput = EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIndexing(
xsDataIndexingInput)
self.edPluginMOSFLMIndexing.connectSUCCESS(
self.doSuccessIndexingMOSFLM)
self.edPluginMOSFLMIndexing.connectFAILURE(
self.doFailureIndexingMOSFLM)
self.edPluginMOSFLMIndexing.setDataInput(
xsDataMOSFLMIndexingInput)
self.edPluginMOSFLMIndexing.executeSynchronous()
def doFailureIndicators(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureIndicators")
strErrorMessage = "Execution of Indexing and Indicators plugin failed. Execution of characterisation aborted."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessISPyBStoreImageQualityIndicators(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlGridScreeningv1_0.doSuccessISPyBStoreImageQualityIndicators"
)
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlGridScreeningv1_0.doSuccessISPyBStoreImageQualityIndicators"
)
self.iImageQualityIndicatorsId = self.edPluginISPyBStoreImageQualityIndicators.getDataOutput(
).getImageQualityIndicatorsId().getValue()
if self.iImageQualityIndicatorsId is None:
self.WARNING(
"Image quality indicators result not stored in ISPyB!")
def doFailureISPyBStoreImageQualityIndicators(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlGridScreeningv1_0.doFailureISPyBStoreImageQualityIndicators"
)
strErrorMessage = "Execution of store ISPyB image quality indicators plugin failed."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIndexingMOSFLM")
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlGridScreeningv1_0.doIntegrationToStrategyTransition"
)
xsDataMOSFLMIndexingOutput = self.edPluginMOSFLMIndexing.getDataOutput(
)
xsDataExperimentalConditionRefined = None
if self.hasDataInput("refinedExperimentalCondition"):
xsDataExperimentalConditionRefined = self.getDataInput(
"refinedExperimentalCondition")[0]
else:
# Use the experimental condition from the xsDataCollection
xsDataExperimentalConditionRefined = self.xsDataCollection.getSubWedge(
)[0].getExperimentalCondition()
from EDHandlerXSDataMOSFLMv10 import EDHandlerXSDataMOSFLMv10
self.xsDataIndexingResult = EDHandlerXSDataMOSFLMv10.generateXSDataIndexingResult(
xsDataMOSFLMIndexingOutput, xsDataExperimentalConditionRefined)
xsDataIntegrationInput = XSDataIntegrationInput()
xsDataIntegrationInput.setDataCollection(self.xsDataCollection)
xsDataIntegrationInput.setExperimentalConditionRefined(
self.xsDataIndexingResult.getSelectedSolution(
).getExperimentalConditionRefined())
xsDataIntegrationInput.setSelectedIndexingSolution(
self.xsDataIndexingResult.getSelectedSolution())
self.edPluginControlIntegration.connectSUCCESS(
self.doSuccessIntegration)
self.edPluginControlIntegration.connectFAILURE(
self.doFailureIntegration)
self.edPluginControlIntegration.setDataInput(xsDataIntegrationInput)
self.executePluginSynchronous(self.edPluginControlIntegration)
def doFailureIndexingMOSFLM(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureActionIndexing")
self.retrieveFailureMessages(
_edPlugin,
"EDPluginControlCharacterisationv1_1.doFailureActionIndexing")
def doSuccessIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessIntegration")
self.retrieveSuccessMessages(
_edPlugin, "EDPluginControlGridScreeningv1_0.doSuccessIntegration")
self.addStatusMessage("Integration successful.")
self.xsDataIntegrationOutput = self.edPluginControlIntegration.getDataOutput(
)
# Integration short summary
if self.edPluginControlIntegration.hasDataOutput(
"integrationShortSummary"):
self.strCharacterisationShortSummary += self.edPluginControlIntegration.getDataOutput(
"integrationShortSummary")[0].getValue()
#self.DEBUG( self.xsDataExperimentCharacterisation.marshal() )
if self.bDoOnlyIntegrationWithXMLOutput:
# Run mtz2various
xsDataInputMtz2Various = XSDataInputMtz2Various()
xsDataInputMtz2Various.setMtzfile(
self.edPluginControlIntegration.getDataOutput(
).getIntegrationSubWedgeResult()[0].getGeneratedMTZFile())
xsDataInputMtz2Various.addLabin(XSDataString("I=I"))
xsDataInputMtz2Various.addLabin(XSDataString("SIGI=SIGI"))
xsDataInputMtz2Various.setOutput(
XSDataString("USER '(3I4,2F10.1)'"))
self.edPluginExecMtz2Various.setDataInput(xsDataInputMtz2Various)
self.edPluginExecMtz2Various.executeSynchronous()
strHklFilePath = self.edPluginExecMtz2Various.getDataOutput(
).getHklfile().getPath().getValue()
strIntegration = EDUtilsFile.readFile(strHklFilePath)
# Output the result in XML format
self.xsDataGridScreeningResultIntegration = XSDataGridScreeningResultIntegration(
)
self.xsDataGridScreeningResultIntegration.setFileName(
os.path.basename(self.strImageFile))
self.xsDataGridScreeningResultIntegration.setFileDirectory(
os.path.dirname(self.strImageFile))
self.xsDataGridScreeningResultIntegration.setIntegratedData(
strIntegration)
else:
# We continue with the strategy calculation
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.xsDataIndexingResult.getSelectedSolution(
)
xsDataInputStrategy.setCrystalRefined(
xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.xsDataCollection.getSample())
xsDataIntegrationSubWedgeResultList = self.xsDataIntegrationOutput.getIntegrationSubWedgeResult(
)
xsDataInputStrategy.setBestFileContentDat(
xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(
xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(
xsDataIntegrationSubWedgeResultList[0].
getExperimentalConditionRefined())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(
xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(self.xsDataDiffractionPlan)
self.edPluginControlStrategy.connectSUCCESS(self.doSuccessStrategy)
self.edPluginControlStrategy.connectFAILURE(self.doFailureStrategy)
self.edPluginControlStrategy.setDataInput(xsDataInputStrategy)
self.executePluginSynchronous(self.edPluginControlStrategy)
def doFailureIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureIntegration")
strErrorMessage = "Execution of integration plugin failed."
self.addStatusMessage("Integration FAILURE.")
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
def doSuccessStrategy(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doSuccessStrategy")
self.retrieveSuccessMessages(
self.edPluginControlStrategy,
"EDPluginControlGridScreeningv1_0.doSuccessStrategy")
self.xsDataStrategyResult = self.edPluginControlStrategy.getDataOutput(
)
def doFailureStrategy(self, _edPlugin=None):
self.DEBUG("EDPluginControlGridScreeningv1_0.doFailureStrategy")
self.retrieveFailureMessages(
self.edPluginControlStrategy,
"EDPluginControlGridScreeningv1_0.doFailureStrategy")
strErrorMessage = "Execution of strategy plugin failed."
self.ERROR(strErrorMessage)
self.addErrorMessage(strErrorMessage)
# def generateExecutiveSummary(self, _edPlugin):
# """
# Generates a summary of the execution of the plugin.
# """
# self.DEBUG("EDPluginControlGridScreeningv1_0.generateExecutiveSummary")
# self.addExecutiveSummaryLine("Summary of characterisation:")
# xsDataInputStrategy = self.getDataInput()
# xsDataCollection = xsDataInputStrategy.getDataCollection()
# xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
# self.addExecutiveSummaryLine("Diffraction plan:")
# if (xsDataDiffractionPlan.getComplexity() is not None):
# self.addExecutiveSummaryLine("BEST complexity : %s" % xsDataDiffractionPlan.getComplexity().getValue())
# if (xsDataDiffractionPlan.getAimedCompleteness() is not None):
# self.addExecutiveSummaryLine("Aimed completeness : %6.1f [%%]" % (100.0 * xsDataDiffractionPlan.getAimedCompleteness().getValue()))
# if (xsDataDiffractionPlan.getRequiredCompleteness() is not None):
# self.addExecutiveSummaryLine("Required completeness : %6.1f [%%]" % (100.0 * xsDataDiffractionPlan.getRequiredCompleteness().getValue()))
# if (xsDataDiffractionPlan.getAimedIOverSigmaAtHighestResolution() is not None):
# self.addExecutiveSummaryLine("Aimed I/sigma at highest resolution : %6.1f" % xsDataDiffractionPlan.getAimedIOverSigmaAtHighestResolution().getValue())
# if (xsDataDiffractionPlan.getAimedResolution() is not None):
# self.addExecutiveSummaryLine("Aimed resolution : %6.1f [A]" % xsDataDiffractionPlan.getAimedResolution().getValue())
# if (xsDataDiffractionPlan.getRequiredResolution() is not None):
# self.addExecutiveSummaryLine("Required resolution : %6.1f [A]" % xsDataDiffractionPlan.getRequiredResolution().getValue())
# if (xsDataDiffractionPlan.getAimedMultiplicity() is not None):
# self.addExecutiveSummaryLine("Aimed multiplicity : %6.1f" % xsDataDiffractionPlan.getAimedMultiplicity().getValue())
# if (xsDataDiffractionPlan.getRequiredMultiplicity() is not None):
# self.addExecutiveSummaryLine("Required multiplicity : %6.1f" % xsDataDiffractionPlan.getRequiredMultiplicity().getValue())
# if (xsDataDiffractionPlan.getForcedSpaceGroup() is not None):
# self.addExecutiveSummaryLine("Forced space group : %6s" % xsDataDiffractionPlan.getForcedSpaceGroup().getValue())
# if (xsDataDiffractionPlan.getMaxExposureTimePerDataCollection() is not None):
# self.addExecutiveSummaryLine("Max exposure time per data collection : %6.1f [s]" % xsDataDiffractionPlan.getMaxExposureTimePerDataCollection().getValue())
# self.addExecutiveSummarySeparator()
# if self.edPluginControlIndexingIndicators is not None:
# self.appendExecutiveSummary(self.edPluginControlIndexingIndicators, "")
# if self.edPluginControlIndexingLabelit is not None:
# self.appendExecutiveSummary(self.edPluginControlIndexingLabelit, "")
# if self.edPluginControlIntegration is not None:
# self.appendExecutiveSummary(self.edPluginControlIntegration, "")
# if self.edPluginControlStrategy is not None:
# self.appendExecutiveSummary(self.edPluginControlStrategy, "")
# self.addExecutiveSummarySeparator()
# if self.strCharacterisationShortSummary is not None:
# self.addExecutiveSummaryLine("Characterisation short summary:")
# self.addExecutiveSummaryLine("")
# if self.strStatusMessage != None:
# for strLine in self.strStatusMessage.split(". "):
# if strLine.endswith("."):
# self.addExecutiveSummaryLine(strLine)
# else:
# self.addExecutiveSummaryLine(strLine + ".")
# self.addExecutiveSummaryLine("")
# for strLine in self.strCharacterisationShortSummary.split("\n"):
# if strLine != "\n":
# self.addExecutiveSummaryLine(strLine)
# self.addErrorWarningMessagesToExecutiveSummary("Characterisation error and warning messages: ")
# self.addExecutiveSummarySeparator()
def addStatusMessage(self, _strStatusMessage):
if self.strStatusMessage != "":
self.strStatusMessage += " "
self.strStatusMessage += _strStatusMessage
def getFileNameParameters(self, _strFileName):
"""Method for extracting the rotation start angle, the two motor positions and the grid scan image no from the file name"""
# Typical file name: mesh_0_21.676_-0.051_22_001.mccd
listParts = os.path.basename(_strFileName).split("_")
xsDataGridScreeningFileNameParameters = XSDataGridScreeningFileNameParameters(
)
try:
strScanId1 = listParts[1]
xsDataGridScreeningFileNameParameters.setScanId1(
XSDataString(strScanId1))
strMotorPosition1 = listParts[2]
xsDataGridScreeningFileNameParameters.setMotorPosition1(
XSDataString(strMotorPosition1))
strMotorPosition2 = listParts[3]
xsDataGridScreeningFileNameParameters.setMotorPosition2(
XSDataString(strMotorPosition2))
strScanId2 = listParts[4]
xsDataGridScreeningFileNameParameters.setScanId2(
XSDataString(strScanId2))
except:
xsDataGridScreeningFileNameParameters = None
return xsDataGridScreeningFileNameParameters
def preProcess(self, _edObject=None):
"""
Gets the Configuration Parameters, if found, overrides default parameters
"""
EDPluginControl.preProcess(self, _edObject)
EDVerbose.DEBUG("EDPluginControlCharacterisationv1_1.preProcess...")
self.__edPluginIndexing = self.loadPlugin(self.__strPluginIndexingName,
"Indexing")
self.__edPluginIntegration = self.loadPlugin(
self.__strPluginIntegrationName, "Integration")
self.__edPluginStrategy = self.loadPlugin(self.__strPluginStrategyName,
"Strategy")
if (self.__edPluginIndexing is not None):
EDVerbose.DEBUG(
"EDPluginControlCharacterisationv1_1.preProcess: " +
self.__strPluginIndexingName + " Found... setting Data Input")
# create Data Input for indexing
xsDataInputStrategy = self.getDataInput()
xsDataCollection = xsDataInputStrategy.getDataCollection()
xsDataSample = xsDataCollection.getSample()
xsDataSubWedgeList = xsDataCollection.getSubWedge()
if ((xsDataSubWedgeList is None) or (xsDataSubWedgeList == [])):
strError = "EDPluginControlCharacterisationv1_1.preProcess: No subwedges in input data."
EDVerbose.ERROR(strError)
self.setFailure()
else:
xsDataExperimentalCondition = xsDataSubWedgeList[
0].getExperimentalCondition()
# Fix for bug 431: if the flux is zero raise an error
xsDataDoubleFlux = xsDataExperimentalCondition.getBeam(
).getFlux()
if (xsDataDoubleFlux is not None):
if (xsDataDoubleFlux.getValue() < 0.1):
pyStrErrorMessage = "EDPluginControlCharacterisationv1_1.preProcess ERROR: Input flux is negative or close to zero. Execution of characterisation aborted."
EDVerbose.ERROR(pyStrErrorMessage)
self.addErrorMessage(pyStrErrorMessage)
self.setFailure()
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.setDataCollection(xsDataCollection)
xsDataIndexingInput.setExperimentalCondition(
xsDataExperimentalCondition)
xsDataDiffractionPlan = xsDataCollection.getDiffractionPlan()
xsDataStringForcedSpaceGroup = xsDataDiffractionPlan.getForcedSpaceGroup(
)
if (xsDataStringForcedSpaceGroup is not None):
xsDataCrystal = XSDataCrystal()
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setName(xsDataStringForcedSpaceGroup)
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataIndexingInput.setCrystal(xsDataCrystal)
self.__edPluginIndexing.setDataInput(xsDataIndexingInput)
# Populate characterisation object
self.__xsDataResultCharacterisation = XSDataResultCharacterisation(
)
self.__xsDataResultCharacterisation.setDataCollection(
XSDataCollection.parseString(xsDataCollection.marshal()))
def doSuccessEvaluationIndexingLABELIT(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlCharacterisationv1_4.doSuccessEvaluationIndexingLABELIT"
)
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlCharacterisationv1_4.doSuccessEvaluationIndexingLABELIT"
)
# Retrieve status messages (if any)
if self._edPluginExecEvaluationIndexingLABELIT.hasDataOutput(
"statusMessageIndexing"):
self.addStatusMessage(
"Labelit: " +
self._edPluginExecEvaluationIndexingLABELIT.getDataOutput(
"statusMessageIndexing")[0].getValue())
# Check if indexing was successful
bIndexingSuccess = self._edPluginExecEvaluationIndexingLABELIT.getDataOutput(
"indexingSuccess")[0].getValue()
if bIndexingSuccess:
xsDataIndexingResult = self._edPluginExecEvaluationIndexingLABELIT.getDataOutput(
"indexingResult")[0]
self._xsDataResultCharacterisation.setIndexingResult(
xsDataIndexingResult)
xsDataCollection = self._xsDataResultCharacterisation.getDataCollection(
)
xsDataGeneratePredictionInput = XSDataGeneratePredictionInput()
xsDataGeneratePredictionInput.setDataCollection(
XSDataCollection.parseString(xsDataCollection.marshal()))
xsDataGeneratePredictionInput.setSelectedIndexingSolution(
XSDataIndexingSolutionSelected.parseString(
xsDataIndexingResult.getSelectedSolution().marshal()))
self._edPluginControlGeneratePrediction.setDataInput(
xsDataGeneratePredictionInput)
if self._edPluginControlIndexingIndicators.hasDataOutput(
"indexingShortSummary"):
indexingShortSummary = self._edPluginControlIndexingIndicators.getDataOutput(
"indexingShortSummary")[0].getValue()
self._strCharacterisationShortSummary += indexingShortSummary
self.sendMessageToMXCuBE(indexingShortSummary)
# Start the generation of prediction images - we synchronize in the post-process
self._edPluginControlGeneratePrediction.execute()
# Then start the integration of the reference images
self.indexingToIntegration()
else:
if self._iNoImagesWithDozorScore > 0:
if not self._bDoOnlyMoslmfIndexing:
strWarningMessage = "Execution of Indexing and Indicators plugin failed - trying to index with MOSFLM."
self.WARNING(strWarningMessage)
self.sendMessageToMXCuBE(strWarningMessage, "warning")
self.addWarningMessage(strWarningMessage)
xsDataIndexingInput = XSDataIndexingInput()
xsDataIndexingInput.dataCollection = self._xsDataCollection
xsDataIndexingInput.experimentalCondition = self._xsDataCollection.subWedge[
0].experimentalCondition
xsDataIndexingInput.crystal = self._xsDataCrystal
self._edPluginControlIndexingMOSFLM.setDataInput(
xsDataIndexingInput)
self.executePluginSynchronous(
self._edPluginControlIndexingMOSFLM)
else:
strErrorMessage = "Execution of indexing with Labelit failed."
self.ERROR(strErrorMessage)
self.sendMessageToMXCuBE(strErrorMessage, "error")
self.addErrorMessage(strErrorMessage)
self.setFailure()
self.generateExecutiveSummary(self)
if self._strStatusMessage != None:
self.setDataOutput(XSDataString(self._strStatusMessage),
"statusMessage")
self.writeDataOutput()
