本文整理汇总了Python中XSDataMXv1.XSDataCollection类的典型用法代码示例。如果您正苦于以下问题:Python XSDataCollection类的具体用法?Python XSDataCollection怎么用?Python XSDataCollection使用的例子?那么恭喜您, 这里精选的类代码示例或许可以为您提供帮助。
在下文中一共展示了XSDataCollection类的15个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: createDataCollectionFromDataFiles
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)
示例2: doXdsIndexingIntegration
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
示例3: preProcess
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)
示例4: preProcess
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()
示例5: doSuccessReadImageHeader
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()
示例6: doSuccessEvaluationIndexingMOSFLM
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()
示例7: doFailureIndexingLabelit
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()
示例8: doSuccessEvaluationIndexingMOSFLM
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()
示例9: preProcess
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()))
示例10: createDataInputCharacterisationFromDataSets
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
示例11: testCreatePyarchHtmlDirectoryPath
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")
示例12: getXSDataResultStrategy
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
示例13: generatePredictionImageList
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()
示例14: preProcess
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()))
示例15: testSetDataInput
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())