def generateXSDataInputISPyBStoreScreening(_xsDataInputControlISPyB,
_strStatusMessage=None,
_strShortComments=None,
_strComments=None):
xsDataInputISPyBStoreScreening = XSDataInputISPyBStoreScreening()
xsDataResultCharacterisation = _xsDataInputControlISPyB.getCharacterisationResult(
)
xsDataIntegerDataCollectionGroupId = _xsDataInputControlISPyB.getDataCollectionGroupId(
)
# ISPyB image
xsDataISPyBImage = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBImage(
xsDataResultCharacterisation)
# Diffraction plan
xsDataISPyBDiffractionPlan = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBDiffractionPlan(
xsDataResultCharacterisation)
# Screening
# Temporary fix for mxsup717, while waiting for a change of the ISPyB web service
strComments = _strComments
# if xsDataResultCharacterisation.getIndexingResult() is not None:
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing():
# if strComments is None:
# strComments = ""
# else:
# strComments += " "
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing().getValue():
# strComments += "Labelit indexing"
# else:
# strComments += "MOSFLM indexing"
xsDataISPyBScreening = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreening(
_strShortComments, strComments)
# ScreeningOutputContainer
fKappa = None
if _xsDataInputControlISPyB.kappa is not None:
fKappa = _xsDataInputControlISPyB.kappa.value
fPhi = None
if _xsDataInputControlISPyB.phi is not None:
fPhi = _xsDataInputControlISPyB.phi.value
xsDataISPyBScreeningOutputContainer = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreeningOutputContainer(xsDataResultCharacterisation, \
_strStatusMessage, fKappa, fPhi)
# Assemble the input
xsDataISPyBScreening.dataCollectionGroupId = xsDataIntegerDataCollectionGroupId
xsDataInputISPyBStoreScreening.image = xsDataISPyBImage
xsDataInputISPyBStoreScreening.diffractionPlan = xsDataISPyBDiffractionPlan
xsDataInputISPyBStoreScreening.screening = xsDataISPyBScreening
xsDataInputISPyBStoreScreening.addScreeningOutputContainer(
xsDataISPyBScreeningOutputContainer)
return xsDataInputISPyBStoreScreening
def generateXSDataInputISPyBStoreScreening(_xsDataInputControlISPyB, _strStatusMessage=None, _strShortComments=None, _strComments=None):
xsDataInputISPyBStoreScreening = XSDataInputISPyBStoreScreening()
xsDataResultCharacterisation = _xsDataInputControlISPyB.getCharacterisationResult()
xsDataIntegerDataCollectionId = _xsDataInputControlISPyB.getDataCollectionId()
# Diffraction plan
xsDataISPyBDiffractionPlan = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBDiffractionPlan(xsDataResultCharacterisation)
# Screening
# Temporary fix for mxsup717, while waiting for a change of the ISPyB web service
strComments = _strComments
# if xsDataResultCharacterisation.getIndexingResult() is not None:
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing():
# if strComments is None:
# strComments = ""
# else:
# strComments += " "
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing().getValue():
# strComments += "Labelit indexing"
# else:
# strComments += "MOSFLM indexing"
xsDataISPyBScreening = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreening(_strShortComments, strComments)
# ScreeningOutputContainer
xsDataISPyBScreeningOutputContainer = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreeningOutputContainer(xsDataResultCharacterisation, \
_strStatusMessage)
# Legacy strategy - everything stored in a list of XSDataISPyBStrategy entries
EDHandlerXSDataISPyBv1_4.generateLegacyXSDataISPyBStrategy(xsDataResultCharacterisation, xsDataISPyBScreeningOutputContainer)
# Assemble the input
xsDataISPyBScreening.dataCollectionId = xsDataIntegerDataCollectionId
xsDataInputISPyBStoreScreening.diffractionPlan = xsDataISPyBDiffractionPlan
xsDataInputISPyBStoreScreening.screening = xsDataISPyBScreening
xsDataInputISPyBStoreScreening.addScreeningOutputContainer(xsDataISPyBScreeningOutputContainer)
return xsDataInputISPyBStoreScreening
def generateXSDataInputISPyBStoreScreening(_xsDataInputControlISPyB,
_strStatusMessage=None,
_strShortComments=None,
_strComments=None):
xsDataInputISPyBStoreScreening = XSDataInputISPyBStoreScreening()
xsDataResultCharacterisation = _xsDataInputControlISPyB.getCharacterisationResult(
)
xsDataIntegerDataCollectionId = _xsDataInputControlISPyB.getDataCollectionId(
)
# ISPyB image
xsDataISPyBImage = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBImage(
xsDataResultCharacterisation)
# Diffraction plan
xsDataISPyBDiffractionPlan = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBDiffractionPlan(
xsDataResultCharacterisation)
# Screening
# Temporary fix for mxsup717, while waiting for a change of the ISPyB web service
strComments = _strComments
# if xsDataResultCharacterisation.getIndexingResult() is not None:
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing():
# if strComments is None:
# strComments = ""
# else:
# strComments += " "
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing().getValue():
# strComments += "Labelit indexing"
# else:
# strComments += "MOSFLM indexing"
xsDataISPyBScreening = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreening(
_strShortComments, strComments)
# ScreeningOutputContainer
xsDataISPyBScreeningOutputContainer = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreeningOutputContainer(xsDataResultCharacterisation, \
_strStatusMessage)
# Legacy strategy - everything stored in a list of XSDataISPyBStrategy entries
EDHandlerXSDataISPyBv1_4.generateLegacyXSDataISPyBStrategy(
xsDataResultCharacterisation, xsDataISPyBScreeningOutputContainer)
# Assemble the input
xsDataISPyBScreening.dataCollectionId = xsDataIntegerDataCollectionId
xsDataInputISPyBStoreScreening.image = xsDataISPyBImage
xsDataInputISPyBStoreScreening.diffractionPlan = xsDataISPyBDiffractionPlan
xsDataInputISPyBStoreScreening.screening = xsDataISPyBScreening
xsDataInputISPyBStoreScreening.addScreeningOutputContainer(
xsDataISPyBScreeningOutputContainer)
return xsDataInputISPyBStoreScreening
def generateXSDataInputISPyBStoreScreening(_xsDataInputControlISPyB, _strStatusMessage=None, _strShortComments=None, _strComments=None):
xsDataInputISPyBStoreScreening = XSDataInputISPyBStoreScreening()
xsDataResultCharacterisation = _xsDataInputControlISPyB.getCharacterisationResult()
xsDataIntegerDataCollectionId = _xsDataInputControlISPyB.getDataCollectionId()
# ISPyB image
xsDataISPyBImage = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBImage(xsDataResultCharacterisation)
# Diffraction plan
xsDataISPyBDiffractionPlan = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBDiffractionPlan(xsDataResultCharacterisation)
# Screening
# Temporary fix for mxsup717, while waiting for a change of the ISPyB web service
strComments = _strComments
# if xsDataResultCharacterisation.getIndexingResult() is not None:
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing():
# if strComments is None:
# strComments = ""
# else:
# strComments += " "
# if xsDataResultCharacterisation.getIndexingResult().getLabelitIndexing().getValue():
# strComments += "Labelit indexing"
# else:
# strComments += "MOSFLM indexing"
xsDataISPyBScreening = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreening(_strShortComments, strComments)
# ScreeningOutputContainer
fKappa = None
if _xsDataInputControlISPyB.kappa is not None:
fKappa = _xsDataInputControlISPyB.kappa.value
fPhi = None
if _xsDataInputControlISPyB.phi is not None:
fPhi = _xsDataInputControlISPyB.phi.value
xsDataISPyBScreeningOutputContainer = EDHandlerXSDataISPyBv1_4.generateXSDataISPyBScreeningOutputContainer(xsDataResultCharacterisation, \
_strStatusMessage, fKappa, fPhi)
# Assemble the input
xsDataISPyBScreening.dataCollectionId = xsDataIntegerDataCollectionId
xsDataInputISPyBStoreScreening.image = xsDataISPyBImage
xsDataInputISPyBStoreScreening.diffractionPlan = xsDataISPyBDiffractionPlan
xsDataInputISPyBStoreScreening.screening = xsDataISPyBScreening
xsDataInputISPyBStoreScreening.addScreeningOutputContainer(xsDataISPyBScreeningOutputContainer)
return xsDataInputISPyBStoreScreening