def doCharacterisationSuccess(self, _edPlugin=None):
EDVerbose.DEBUG("EDPluginControlCharForReorientationv2_0.doCharacterisationSuccess")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv2_0.doCharacterisationSuccess")
self.xsDataResultCharacterisation = self.edPluginControlCharacterisation.getDataOutput()
# Check if kappa strategy is requested:
if self.strPluginStrategyName is not None:
self.edPluginControlStrategy = self.loadPlugin(self.strPluginStrategyName, \
"MXv2KappaStrategy")
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.xsDataResultCharacterisation.getIndexingResult().getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.xsDataResultCharacterisation.getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = self.xsDataResultCharacterisation.getIntegrationResult().getIntegrationSubWedgeResult()
xsDataInputStrategy.setBestFileContentDat(xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(xsDataIntegrationSubWedgeResultList[0].getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(self.mxv1InputCharacterisation.getDataCollection())
xsDataInputStrategy.setXdsBackgroundImage(self.xsDataResultCharacterisation.getXdsBackgroundImage())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(self.xsDataResultCharacterisation.getDataCollection().getDiffractionPlan())
self.edPluginControlStrategy.setDataInput(xsDataInputStrategy, "mxv1InputStrategy")
self.edPluginControlStrategy.setDataInput(self.mxv2DataCollection, "mxv2DataCollection")
self.edPluginControlStrategy.setDataInput(self.xsDataResultCharacterisation.getIndexingResult(), "mxv1IndexingResult")
self.edPluginControlStrategy.connectSUCCESS(self.doStrategySuccess)
self.edPluginControlStrategy.connectFAILURE(self.doStrategyFailure)
self.executePluginSynchronous(self.edPluginControlStrategy)
def doIntegrationToStrategyTransition(self, _edPlugin=None):
EDVerbose.DEBUG("EDPluginControlInducedRadiationProcessv10.doIntegrationToStrategyTransition")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlInducedRadiationProcessv10.doIntegrationToStrategyTransition")
xsDataIntegrationOutput = self.__edPluginIntegration.getDataOutput()
self.__xsDataResultCharacterisation.setIntegrationResult(xsDataIntegrationOutput)
#EDVerbose.DEBUG( self.__xsDataExperimentCharacterisation.marshal() )
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.__xsDataResultCharacterisation.getIndexingResult().getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.__xsDataResultCharacterisation.getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = xsDataIntegrationOutput.getIntegrationSubWedgeResult()
xsDataInputStrategy.setBestFileContentDat(xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(xsDataIntegrationSubWedgeResultList[0].getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(self.getDataInput().getDataCollection())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(self.__xsDataResultCharacterisation.getDataCollection().getDiffractionPlan())
#print xsDataInputStrategy.marshal()
self.__edPluginStrategy.setDataInput(xsDataInputStrategy)
self.__edPluginStrategy.executeSynchronous()
def doSuccessIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_5.doSuccessIntegration")
self.retrieveSuccessMessages(self._edPluginControlIntegration, "EDPluginControlCharacterisationv1_5.doSuccessIntegration")
# Wait for XDS plugin if necessary
self._edPluginControlXDSGenerateBackgroundImage.synchronize()
self.addStatusMessage("Integration successful.")
xsDataIntegrationOutput = self._edPluginControlIntegration.getDataOutput()
self._xsDataResultCharacterisation.setIntegrationResult(xsDataIntegrationOutput)
# Integration short summary
if self._edPluginControlIntegration.hasDataOutput("integrationShortSummary"):
integrationShortSummary = self._edPluginControlIntegration.getDataOutput("integrationShortSummary")[0].getValue()
self._strCharacterisationShortSummary += integrationShortSummary
self.sendMessageToMXCuBE(integrationShortSummary)
# self.DEBUG( self._xsDataExperimentCharacterisation.marshal() )
if self._bDoStrategyCalculation:
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self._xsDataResultCharacterisation.getIndexingResult().getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self._xsDataResultCharacterisation.getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = xsDataIntegrationOutput.getIntegrationSubWedgeResult()
bFirst = True
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
if xsDataIntegrationSubWedgeResult.getBestfileHKL() is not None:
xsDataInputStrategy.addBestFileContentHKL(xsDataIntegrationSubWedgeResult.getBestfileHKL())
if bFirst:
xsDataInputStrategy.setBestFileContentDat(xsDataIntegrationSubWedgeResult.getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(xsDataIntegrationSubWedgeResult.getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(xsDataIntegrationSubWedgeResult.getExperimentalConditionRefined())
bFirst = False
xsDataInputStrategy.setXdsBackgroundImage(self._xsDataFileXdsBackgroundImage)
xsDataInputStrategy.setDataCollection(self._xsDataCollection)
xsDataInputStrategy.setDiffractionPlan(self._xsDataResultCharacterisation.getDataCollection().getDiffractionPlan())
self._edPluginControlStrategy.setDataInput(xsDataInputStrategy)
self.executePluginSynchronous(self._edPluginControlStrategy)
def doSuccessIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_2.doSuccessIntegration")
self.retrieveSuccessMessages(_edPlugin, "EDPluginControlCharacterisationv1_2.doSuccessIntegration")
self.addStatusMessage("Integration successful.")
xsDataIntegrationOutput = self.__edPluginControlIntegration.getDataOutput()
self.__xsDataResultCharacterisation.setIntegrationResult(xsDataIntegrationOutput)
# Integration short summary
if self.__edPluginControlIntegration.hasDataOutput("integrationShortSummary"):
self.__strCharacterisationShortSummary += self.__edPluginControlIntegration.getDataOutput("integrationShortSummary")[0].getValue()
#self.DEBUG( self.__xsDataExperimentCharacterisation.marshal() )
if self.__bDoStrategyCalculation:
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.__xsDataResultCharacterisation.getIndexingResult().getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.__xsDataResultCharacterisation.getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = xsDataIntegrationOutput.getIntegrationSubWedgeResult()
xsDataInputStrategy.setBestFileContentDat(xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(xsDataIntegrationSubWedgeResultList[0].getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(self.getDataInput().getDataCollection())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(self.__xsDataResultCharacterisation.getDataCollection().getDiffractionPlan())
self.__edPluginControlStrategy.setDataInput(xsDataInputStrategy)
self.__edPluginControlStrategy.executeSynchronous()
def doSuccessIntegration(self, _edPlugin=None):
self.DEBUG("EDPluginControlCharacterisationv1_4.doSuccessIntegration")
self.retrieveSuccessMessages(
self._edPluginControlIntegration,
"EDPluginControlCharacterisationv1_4.doSuccessIntegration")
# Wait for XDS plugin if necessary
self._edPluginControlXDSGenerateBackgroundImage.synchronize()
self.addStatusMessage("Integration successful.")
xsDataIntegrationOutput = self._edPluginControlIntegration.getDataOutput(
)
self._xsDataResultCharacterisation.setIntegrationResult(
xsDataIntegrationOutput)
# Integration short summary
if self._edPluginControlIntegration.hasDataOutput(
"integrationShortSummary"):
integrationShortSummary = self._edPluginControlIntegration.getDataOutput(
"integrationShortSummary")[0].getValue()
self._strCharacterisationShortSummary += integrationShortSummary
self.sendMessageToMXCuBE(integrationShortSummary)
# self.DEBUG( self._xsDataExperimentCharacterisation.marshal() )
if self._bDoStrategyCalculation:
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self._xsDataResultCharacterisation.getIndexingResult(
).getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(
xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self._xsDataResultCharacterisation.
getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = xsDataIntegrationOutput.getIntegrationSubWedgeResult(
)
bFirst = True
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
if xsDataIntegrationSubWedgeResult.getBestfileHKL(
) is not None:
xsDataInputStrategy.addBestFileContentHKL(
xsDataIntegrationSubWedgeResult.getBestfileHKL())
if bFirst:
xsDataInputStrategy.setBestFileContentDat(
xsDataIntegrationSubWedgeResult.getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(
xsDataIntegrationSubWedgeResult.getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(
xsDataIntegrationSubWedgeResult.
getExperimentalConditionRefined())
bFirst = False
xsDataInputStrategy.setXdsBackgroundImage(
self._xsDataFileXdsBackgroundImage)
xsDataInputStrategy.setDataCollection(self._xsDataCollection)
xsDataInputStrategy.setDiffractionPlan(
self._xsDataResultCharacterisation.getDataCollection(
).getDiffractionPlan())
self._edPluginControlStrategy.setDataInput(xsDataInputStrategy)
self.executePluginSynchronous(self._edPluginControlStrategy)
def doCharacterisationSuccess(self, _edPlugin=None):
EDVerbose.DEBUG(
"EDPluginControlCharForReorientationv2_0.doCharacterisationSuccess"
)
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlCharacterisationv2_0.doCharacterisationSuccess")
self.xsDataResultCharacterisation = self.edPluginControlCharacterisation.getDataOutput(
)
# Check if kappa strategy is requested:
if self.strPluginStrategyName is not None:
self.edPluginControlStrategy = self.loadPlugin(self.strPluginStrategyName, \
"MXv2KappaStrategy")
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.xsDataResultCharacterisation.getIndexingResult(
).getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(
xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.xsDataResultCharacterisation.
getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = self.xsDataResultCharacterisation.getIntegrationResult(
).getIntegrationSubWedgeResult()
xsDataInputStrategy.setBestFileContentDat(
xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(
xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(
xsDataIntegrationSubWedgeResultList[0].
getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(
self.mxv1InputCharacterisation.getDataCollection())
xsDataInputStrategy.setXdsBackgroundImage(
self.xsDataResultCharacterisation.getXdsBackgroundImage())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(
xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(
self.xsDataResultCharacterisation.getDataCollection(
).getDiffractionPlan())
self.edPluginControlStrategy.setDataInput(xsDataInputStrategy,
"mxv1InputStrategy")
self.edPluginControlStrategy.setDataInput(self.mxv2DataCollection,
"mxv2DataCollection")
self.edPluginControlStrategy.setDataInput(
self.xsDataResultCharacterisation.getIndexingResult(),
"mxv1IndexingResult")
self.edPluginControlStrategy.connectSUCCESS(self.doStrategySuccess)
self.edPluginControlStrategy.connectFAILURE(self.doStrategyFailure)
self.executePluginSynchronous(self.edPluginControlStrategy)
def doIntegrationToStrategyTransition(self, _edPlugin=None):
self.DEBUG(
"EDPluginControlInducedRadiationProcessv10.doIntegrationToStrategyTransition"
)
self.retrieveSuccessMessages(
_edPlugin,
"EDPluginControlInducedRadiationProcessv10.doIntegrationToStrategyTransition"
)
xsDataIntegrationOutput = self.__edPluginIntegration.getDataOutput()
self.__xsDataResultCharacterisation.setIntegrationResult(
xsDataIntegrationOutput)
# self.DEBUG( self.__xsDataExperimentCharacterisation.marshal() )
xsDataInputStrategy = XSDataInputStrategy()
xsDataSolutionSelected = self.__xsDataResultCharacterisation.getIndexingResult(
).getSelectedSolution()
xsDataInputStrategy.setCrystalRefined(
xsDataSolutionSelected.getCrystal())
xsDataInputStrategy.setSample(self.__xsDataResultCharacterisation.
getDataCollection().getSample())
xsDataIntegrationSubWedgeResultList = xsDataIntegrationOutput.getIntegrationSubWedgeResult(
)
xsDataInputStrategy.setBestFileContentDat(
xsDataIntegrationSubWedgeResultList[0].getBestfileDat())
xsDataInputStrategy.setBestFileContentPar(
xsDataIntegrationSubWedgeResultList[0].getBestfilePar())
xsDataInputStrategy.setExperimentalCondition(
xsDataIntegrationSubWedgeResultList[0].
getExperimentalConditionRefined())
xsDataInputStrategy.setDataCollection(
self.getDataInput().getDataCollection())
for xsDataIntegrationSubWedgeResult in xsDataIntegrationSubWedgeResultList:
xsDataInputStrategy.addBestFileContentHKL(
xsDataIntegrationSubWedgeResult.getBestfileHKL())
xsDataInputStrategy.setDiffractionPlan(
self.__xsDataResultCharacterisation.getDataCollection(
).getDiffractionPlan())
# print xsDataInputStrategy.marshal()
self.__edPluginStrategy.setDataInput(xsDataInputStrategy)
self.__edPluginStrategy.executeSynchronous()
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 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)