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Python XSDataMXv1.XSDataExperimentalCondition類代碼示例

本文整理匯總了Python中XSDataMXv1.XSDataExperimentalCondition的典型用法代碼示例。如果您正苦於以下問題:Python XSDataExperimentalCondition類的具體用法?Python XSDataExperimentalCondition怎麽用?Python XSDataExperimentalCondition使用的例子?那麽, 這裏精選的類代碼示例或許可以為您提供幫助。


在下文中一共展示了XSDataExperimentalCondition類的15個代碼示例,這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚,您的評價將有助於係統推薦出更棒的Python代碼示例。

示例1: generateXSDataIndexingResult

    def generateXSDataIndexingResult(_xsDataResultXDSIndexing, _xsDataExperimentalCondition=None):

        xsDataIndexingResult = XSDataIndexingResult()
        xsDataIndexingSolutionSelected = XSDataIndexingSolutionSelected()
        xsDataCrystalSelected = XSDataCrystal()
#        xsDataIndexingSolutionSelected.setNumber(XSDataInteger(iIndex))
#        xsDataCellSelected = xsDataLabelitSolution.getUnitCell()
        spaceGroupName = EDUtilsSymmetry.getMinimumSymmetrySpaceGroupFromBravaisLattice(_xsDataResultXDSIndexing.bravaisLattice.value)
        xsDataCrystalSelected = XSDataCrystal()
        xsDataSpaceGroupSelected = XSDataSpaceGroup()
        xsDataSpaceGroupSelected.setName(XSDataString(spaceGroupName))
        xsDataCrystalSelected.setSpaceGroup(xsDataSpaceGroupSelected)
#        xsDataCrystalSelected.setCell(xsDataCellSelected)
        xsDataCrystalSelected.setMosaicity(XSDataDouble(_xsDataResultXDSIndexing.mosaicity.value))
        xsDataCrystalSelected.setCell(XSDataCell.parseString(_xsDataResultXDSIndexing.unitCell.marshal()))

        xsDataIndexingSolutionSelected.setCrystal(xsDataCrystalSelected)

        xsDataOrientation = XSDataOrientation()
        xsDataOrientation.setMatrixA(_xsDataResultXDSIndexing.getAMatrix())
        xsDataOrientation.setMatrixU(_xsDataResultXDSIndexing.getUMatrix())
        xsDataIndexingSolutionSelected.setOrientation(xsDataOrientation)


        xsDataStatisticsIndexing = XSDataStatisticsIndexing()

        if (_xsDataExperimentalCondition is not None):
            fBeamPositionXOrig = _xsDataExperimentalCondition.getDetector().getBeamPositionX().getValue()
            fBeamPositionYOrig = _xsDataExperimentalCondition.getDetector().getBeamPositionY().getValue()
            fBeamPositionXNew = _xsDataResultXDSIndexing.getBeamCentreX().getValue()
            fBeamPositionYNew = _xsDataResultXDSIndexing.getBeamCentreY().getValue()
            xsDataStatisticsIndexing.setBeamPositionShiftX(XSDataLength(fBeamPositionXOrig - fBeamPositionXNew))
            xsDataStatisticsIndexing.setBeamPositionShiftY(XSDataLength(fBeamPositionYOrig - fBeamPositionYNew))

        xsDataExperimentalConditionRefined = None
        if (_xsDataExperimentalCondition is None):
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition()
        else:
            # Copy the incoming experimental condition
            xmlExperimentalCondition = _xsDataExperimentalCondition.marshal()
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition.parseString(xmlExperimentalCondition)

        xsDataDetector = xsDataExperimentalConditionRefined.getDetector()
        if (xsDataDetector is None):
            xsDataDetector = XSDataDetector()

        xsDataDetector.setBeamPositionX(XSDataLength(_xsDataResultXDSIndexing.getBeamCentreX().value))
        xsDataDetector.setBeamPositionY(XSDataLength(_xsDataResultXDSIndexing.getBeamCentreY().value))
        xsDataDetector.setDistance(_xsDataResultXDSIndexing.getDistance())

        xsDataExperimentalConditionRefined.setDetector(xsDataDetector)
        xsDataIndexingSolutionSelected.setExperimentalConditionRefined(xsDataExperimentalConditionRefined)

        xsDataIndexingResult.setSelectedSolution(xsDataIndexingSolutionSelected)

        return xsDataIndexingResult
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:56,代碼來源:EDHandlerXSDataXDSv1_0.py

示例2: 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)
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:55,代碼來源:EDPluginControlGeneratePredictionv10.py

示例3: 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()
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:53,代碼來源:EDPluginControlIntegrationv10.py

示例4: 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
開發者ID:antolinos,項目名稱:edna,代碼行數:43,代碼來源:EDHandlerXSDataBestv1_1.py

示例5: process

    def process(self, _edObject=None):
        EDPluginExec.process(self)
        EDVerbose.DEBUG("EDPluginExecReadImageHeaderPilatus2Mv10.process")
        xsDataInputReadImageHeader = self.getDataInput()
        xsDataFile = xsDataInputReadImageHeader.getImage()
        strPath = xsDataFile.getPath().getValue()
        dictPilatus2MHeader = self.readHeaderPilatus2M(strPath)
        if (dictPilatus2MHeader is None):
            strErrorMessage = "EDPluginExecReadImageHeaderPilatus2Mv10.process : Cannot read header : %s" % strPath
            EDVerbose.error(strErrorMessage)
            self.addErrorMessage(strErrorMessage)
            self.setFailure()
        else:
            xsDataExperimentalCondition = XSDataExperimentalCondition()
            xsDataDetector = XSDataDetector()

            iNoPixelsX = 1475
            iNoPixelsY = 1679
            xsDataDetector.setNumberPixelX(XSDataInteger(iNoPixelsX))
            xsDataDetector.setNumberPixelY(XSDataInteger(iNoPixelsY))
            # Pixel size
            listPixelSizeXY = dictPilatus2MHeader[ "Pixel_size"   ].split(" ")
            fPixelSizeX = float(listPixelSizeXY[0]) * 1000
            xsDataDetector.setPixelSizeX(XSDataLength(fPixelSizeX))
            fPixelSizeY = float(listPixelSizeXY[3]) * 1000
            xsDataDetector.setPixelSizeY(XSDataLength(fPixelSizeY))
            # Beam position
            listBeamPosition = dictPilatus2MHeader["Beam_xy"].replace("(", " ").replace(")", " ").replace(",", " ").split()
            fBeamPositionX = float(listBeamPosition[1]) * fPixelSizeX
            fBeamPositionY = float(listBeamPosition[0]) * fPixelSizeY
            xsDataDetector.setBeamPositionX(XSDataLength(fBeamPositionX))
            xsDataDetector.setBeamPositionY(XSDataLength(fBeamPositionY))
            fDistance = float(dictPilatus2MHeader[ "Detector_distance" ].split(" ")[0]) * 1000
            xsDataDetector.setDistance(XSDataLength(fDistance))
#            xsDataDetector.setNumberBytesInHeader(XSDataInteger(float(dictPilatus2MHeader[ "header_size"   ])))
            xsDataDetector.setSerialNumber(XSDataString(dictPilatus2MHeader[ "Detector:"   ]))
#            #xsDataDetector.setBin(                 XSDataString(   dictPilatus2MHeader[ "BIN" ] ) ) )
#            #xsDataDetector.setDataType(            XSDataString(   dictPilatus2MHeader[ "TYPE" ] ) ) )
#            #xsDataDetector.setByteOrder(           XSDataString(   dictPilatus2MHeader[ "BYTE_ORDER" ] ) ) )
#            xsDataDetector.setImageSaturation(XSDataInteger(int(dictPilatus2MHeader[ "saturation_level" ])))
            xsDataDetector.setName(XSDataString("PILATUS2 3M"))
            xsDataDetector.setType(XSDataString("pilatus2m"))
            xsDataExperimentalCondition.setDetector(xsDataDetector)

            # Beam object

            xsDataBeam = XSDataBeam()
            xsDataBeam.setWavelength(XSDataWavelength(float(dictPilatus2MHeader[ "Wavelength" ].split(" ")[0])))
            xsDataBeam.setExposureTime(XSDataTime(float(dictPilatus2MHeader[ "Exposure_time" ].split(" ")[0])))
            xsDataExperimentalCondition.setBeam(xsDataBeam)

            # Goniostat object
            xsDataGoniostat = XSDataGoniostat()
            fRotationAxisStart = float(dictPilatus2MHeader[ "Start_angle" ].split(" ")[0])
            fOscillationWidth = float(dictPilatus2MHeader[ "Angle_increment" ].split(" ")[0])
            xsDataGoniostat.setRotationAxisStart(XSDataAngle(fRotationAxisStart))
            xsDataGoniostat.setRotationAxisEnd(XSDataAngle(fRotationAxisStart + fOscillationWidth))
            xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
            xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)
#
            # Create the image object
            xsDataImage = XSDataImage()
            xsDataImage.setPath(XSDataString(strPath))
            if "DateTime" in dictPilatus2MHeader:
                strTimeStamp = dictPilatus2MHeader[ "DateTime" ]
                xsDataImage.setDate(XSDataString(strTimeStamp))
            iImageNumber = EDUtilsImage.getImageNumber(strPath)
            xsDataImage.setNumber(XSDataInteger(iImageNumber))

            xsDataSubWedge = XSDataSubWedge()
            xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
            xsDataSubWedge.addImage(xsDataImage)

            self.__xsDataResultReadImageHeader = XSDataResultReadImageHeader()
            self.__xsDataResultReadImageHeader.setSubWedge(xsDataSubWedge)
開發者ID:edna-site,項目名稱:edna,代碼行數:75,代碼來源:EDPluginExecReadImageHeaderPilatus2Mv10.py

示例6: process

    def process(self, _edObject=None):
        EDPluginExec.process(self)
        EDVerbose.DEBUG("*** EDPluginExecReadImageHeaderADSCv10.process")
        xsDataInputReadImageHeader = self.getDataInput()
        xsDataFile = xsDataInputReadImageHeader.getImage()
        strPath = xsDataFile.getPath().getValue()
        strAbsolutePath = os.path.abspath(strPath)
        dictHeader = self.readHeaderADSC(strPath)
        if (dictHeader is None):
            strErrorMessage = "EDPluginExecReadImageHeaderADSCv10.process : error when reading header from %s" % strAbsolutePath
            EDVerbose.error(strErrorMessage)
            self.addErrorMessage(strErrorMessage)
            self.setFailure()
        else:
            xsDataExperimentalCondition = XSDataExperimentalCondition()
            xsDataDetector = XSDataDetector()

            xsDataDetector.setBeamPositionX(XSDataLength(float(dictHeader[ "BEAM_CENTER_X" ])))
            xsDataDetector.setBeamPositionY(XSDataLength(float(dictHeader[ "BEAM_CENTER_Y" ])))
            xsDataDetector.setDistance(XSDataLength(float(dictHeader[ "DISTANCE"   ])))
            fPixelSize = float(dictHeader[ "PIXEL_SIZE"   ])
            xsDataDetector.setPixelSizeX(XSDataLength(fPixelSize))
            xsDataDetector.setPixelSizeY(XSDataLength(fPixelSize))
            if "TWOTHETA" in dictHeader.keys():
                xsDataDetector.setTwoTheta(XSDataAngle(float(dictHeader[ "TWOTHETA"   ])))
            xsDataDetector.setNumberBytesInHeader(XSDataInteger(float(dictHeader[ "HEADER_BYTES"   ])))
            xsDataDetector.setSerialNumber(XSDataString(dictHeader[ "DETECTOR_SN"   ]))
            xsDataDetector.setNumberPixelX(XSDataInteger(int(dictHeader[ "SIZE1"   ])))
            xsDataDetector.setNumberPixelY(XSDataInteger(int(dictHeader[ "SIZE2"   ])))
            xsDataDetector.setBin(XSDataString(dictHeader[ "BIN" ]))
            xsDataDetector.setDataType(XSDataString(dictHeader[ "TYPE" ]))
            xsDataDetector.setByteOrder(XSDataString(dictHeader[ "BYTE_ORDER" ]))
            if "CCD_IMAGE_SATURATION" in dictHeader.keys():
                xsDataDetector.setImageSaturation(XSDataInteger(int(dictHeader[ "CCD_IMAGE_SATURATION" ])))

            # Determine type of detector...
            iNoPixelsX = xsDataDetector.getNumberPixelX().getValue()
            iNoPixelsY = xsDataDetector.getNumberPixelY().getValue()
            if (iNoPixelsX == 2304 and iNoPixelsY == 2304):
                xsDataDetector.setName(XSDataString("ADSC Q4"))
                xsDataDetector.setType(XSDataString("q4"))
            elif (iNoPixelsX == 1152 and iNoPixelsY == 1152):
                xsDataDetector.setName(XSDataString("ADSC Q4 bin 2x2"))
                xsDataDetector.setType(XSDataString("q4-2x"))
            elif (iNoPixelsX == 4096 and iNoPixelsY == 4096):
                xsDataDetector.setName(XSDataString("ADSC Q210"))
                xsDataDetector.setType(XSDataString("q210"))
            elif (iNoPixelsX == 2048 and iNoPixelsY == 2048):
                xsDataDetector.setName(XSDataString("ADSC Q210 bin 2x2"))
                xsDataDetector.setType(XSDataString("q210-2x"))
            elif (iNoPixelsX == 6144 and iNoPixelsY == 6144):
                xsDataDetector.setName(XSDataString("ADSC Q315"))
                xsDataDetector.setType(XSDataString("q315"))
            elif (iNoPixelsX == 3072 and iNoPixelsY == 3072):
                xsDataDetector.setName(XSDataString("ADSC Q315 bin 2x2"))
                xsDataDetector.setType(XSDataString("q315-2x"))
            else:
                strErrorMessage = EDMessage.ERROR_DATA_HANDLER_02 % ("EDPluginExecReadImageHeaderADSCv10.process", "Unknown detector type")
                EDVerbose.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                raise RuntimeError, strErrorMessage

            xsDataExperimentalCondition.setDetector(xsDataDetector)

            # Beam object

            xsDataBeam = XSDataBeam()
            xsDataBeam.setWavelength(XSDataWavelength(float(dictHeader[ "WAVELENGTH" ])))
            xsDataBeam.setExposureTime(XSDataTime(float(dictHeader[ "TIME" ])))
            xsDataExperimentalCondition.setBeam(xsDataBeam)

            # Goniostat object
            xsDataGoniostat = XSDataGoniostat()
            fRotationAxisStart = float(dictHeader[ "OSC_START" ])
            fOscillationWidth = float(dictHeader[ "OSC_RANGE" ])
            xsDataGoniostat.setRotationAxisStart(XSDataAngle(fRotationAxisStart))
            xsDataGoniostat.setRotationAxisEnd(XSDataAngle(fRotationAxisStart + fOscillationWidth))
            xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
            strRotationAxis = None
            if ("AXIS" in dictHeader.keys()):
                strRotationAxis = dictHeader[ "AXIS" ]
            elif ("OSC_AXIS" in dictHeader.keys()):
                strRotationAxis = dictHeader[ "OSC_AXIS" ]
            else:
                strErrorMessage = "EDPluginExecReadImageHeaderADSCv10.process : Neither AXIS nor OSC_AXIS header item found."
                EDVerbose.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                self.setFailure()
            xsDataGoniostat.setRotationAxis(XSDataString(strRotationAxis))
            xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)

            # Create the image object
            xsDataImage = XSDataImage()
            xsDataImage.setPath(XSDataString(strAbsolutePath))
            xsDataImage.setDate(XSDataString(dictHeader[ "DATE" ]))
            strFileName = os.path.basename(strPath)
            iImageNumber = EDUtilsImage.getImageNumber(strFileName)
            xsDataImage.setNumber(XSDataInteger(iImageNumber))

            xsDataSubWedge = XSDataSubWedge()
#.........這裏部分代碼省略.........
開發者ID:edna-site,項目名稱:edna,代碼行數:101,代碼來源:EDPluginExecReadImageHeaderADSCv10.py

示例7: getTestExperimentalCondition

 def getTestExperimentalCondition(self):
     strPathToTestExperimentalCondition = os.path.join(self.getPluginTestsDataHome(), "XSDataExperimentalCondition_test.xml")
     strXMLInput = self.readAndParseFile(strPathToTestExperimentalCondition)
     xsDataExperimentalCondition = XSDataExperimentalCondition.parseString(strXMLInput)
     return xsDataExperimentalCondition
開發者ID:antolinos,項目名稱:edna,代碼行數:5,代碼來源:EDTestCasePluginUnitSubWedgeMergev10.py

示例8: testSetDataModelInput

    def testSetDataModelInput(self):
        edPluginStrategy = self.createPlugin()
        strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(), "XSConfiguration_ESRF.xml")
        edConfiguration = EDConfiguration(strPathToTestConfigFile)
        dictItem = edConfiguration.get(edPluginStrategy.getPluginName())
        edPluginStrategy.setConfig(dictItem)
        edPluginStrategy.configure()

        xsDataStrategy = XSDataInputStrategy()

        # Beam

        xsExperimentalCondition = XSDataExperimentalCondition()

        xsBeam = XSDataBeam()
        xsBeam.setFlux(XSDataFlux(1e+12))
        xsBeam.setWavelength(XSDataWavelength(2.41))
        xsBeam.setSize(XSDataSize(x=XSDataLength(0.1), y=XSDataLength(0.1)))
        xsBeam.setExposureTime(XSDataTime(1))

        xsExperimentalCondition.setBeam(xsBeam)

        # Detector and Exposure Time

        xsDataDetector = XSDataDetector()
        xsDataDetector.setType(XSDataString("q210-2x"))
        xsExperimentalCondition.setDetector(xsDataDetector)

        xsDataGoniostat = XSDataGoniostat()
        xsDataGoniostat.setRotationAxis(XSDataString("phi"))
        xsExperimentalCondition.setGoniostat(xsDataGoniostat)

        xsDataStrategy.setExperimentalCondition(xsExperimentalCondition)


        # Best Files
        bestFileContentDat = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile.dat"))
        xsDataStrategy.setBestFileContentDat(XSDataString(bestFileContentDat))
        bestFileContentPar = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile.par"))
        xsDataStrategy.setBestFileContentPar(XSDataString(bestFileContentPar))
        bestFileContentHKL = EDUtilsFile.readFile(os.path.join(self.strDataPath, "bestfile1.hkl"))
        xsDataStrategy.addBestFileContentHKL(XSDataString(bestFileContentHKL))

        # Crystal

        xsDataSampleCrystalMM = XSDataSampleCrystalMM()
        xsDataStructure = XSDataStructure()
        xsDataComposition = XSDataChemicalCompositionMM()

        xsDataChain = XSDataChain()
        xsDataChain.setType(XSDataString("protein"))
        xsDataChain.setNumberOfCopies(XSDataDouble(2))
        xsDataAtomicComposition = XSDataAtomicComposition()
        xsDataAtom1 = XSDataAtom()
        xsDataAtom1.setSymbol(XSDataString("Se"))
        xsDataAtom1.setNumberOf(XSDataDouble(4))
        xsDataAtomicComposition.addAtom(xsDataAtom1)

        xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
        xsDataChain.setNumberOfMonomers(XSDataDouble(100))
        xsDataStructure.addChain(xsDataChain)

        xsDataChain2 = XSDataChain()
        xsDataChain2.setType(XSDataString("rna"))
        xsDataChain2.setNumberOfCopies(XSDataDouble(1))
        xsDataChain2.setNumberOfMonomers(XSDataDouble(60))
        xsDataStructure.addChain(xsDataChain2)

        xsDataLigand = XSDataLigand()
        xsDataLigand.setNumberOfCopies(XSDataDouble(2))
        xsDataLigand.setNumberOfLightAtoms(XSDataDouble(42))
        xsDataAtomicComposition = XSDataAtomicComposition()
        xsDataAtom2 = XSDataAtom()
        xsDataAtom2.setSymbol(XSDataString("Fe"))
        xsDataAtom2.setNumberOf(XSDataDouble(1))
        xsDataAtomicComposition.addAtom(xsDataAtom2)
        xsDataLigand.setHeavyAtoms(xsDataAtomicComposition)
        xsDataStructure.addLigand(xsDataLigand)
        xsDataStructure.setNumberOfCopiesInAsymmetricUnit(XSDataDouble(0.25))

        xsDataSolvent = XSDataSolvent()
        xsDataAtomicComposition = XSDataAtomicComposition()

        xsDataAtom3 = XSDataAtom()
        xsDataAtom3.setSymbol(XSDataString("Na"))
        xsDataAtom3.setConcentration(XSDataDouble(1000))
        xsDataAtom4 = XSDataAtom()
        xsDataAtom4.setSymbol(XSDataString("Cl"))
        xsDataAtom4.setConcentration(XSDataDouble(1000))

        xsDataAtomicComposition.addAtom(xsDataAtom3)
        xsDataAtomicComposition.addAtom(xsDataAtom4)
        xsDataSolvent.setAtoms(xsDataAtomicComposition)

        xsDataComposition.setStructure(xsDataStructure)
        xsDataComposition.setSolvent(xsDataSolvent)
        xsDataSampleCrystalMM.setChemicalComposition(xsDataComposition)

        xsDataSampleCrystalMM.setSize(XSDataSize(XSDataLength(0.1), XSDataLength(0.1), XSDataLength(0.1)))

#.........這裏部分代碼省略.........
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:101,代碼來源:EDTestCasePluginUnitControlStrategyv1_3.py

示例9: generateXSDataIndexingResult

    def generateXSDataIndexingResult(_xsDataResultLabelitIndexing, _xsDataExperimentalCondition=None):
        EDVerbose.DEBUG("EDHandlerXSDataLabelitv1_1.generateXSDataIndexingOutput")

        xsDataLabelitScreenOutput = _xsDataResultLabelitIndexing.screenOutput
        xsDataLabelitMosflmScriptsOutput = _xsDataResultLabelitIndexing.mosflmScriptsOutput

        iSelectedSolutionNumber = xsDataLabelitScreenOutput.getSelectedSolutionNumber().getValue()

        xsDataIndexingResult = XSDataIndexingResult()
        xsDataIndexingSolutionSelected = None

        for xsDataLabelitSolution in xsDataLabelitScreenOutput.getLabelitScreenSolution():
            xsDataCrystal = XSDataCrystal()
            xsDataSpaceGroup = XSDataSpaceGroup()
            edStringSpaceGroupName = EDUtilsSymmetry.getMinimumSymmetrySpaceGroupFromBravaisLattice(xsDataLabelitSolution.getBravaisLattice().getValue())
            xsDataSpaceGroup.setName(XSDataString(edStringSpaceGroupName))
            xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
            xsDataCrystal.setCell(xsDataLabelitSolution.getUnitCell())
            xsDataIndexingSolution = XSDataIndexingSolution()
            xsDataIndexingSolution.setCrystal(xsDataCrystal)
            iIndex = xsDataLabelitSolution.getSolutionNumber().getValue()
            xsDataIndexingSolution.setNumber(XSDataInteger(iIndex))
            xsDataIndexingResult.addSolution(xsDataIndexingSolution)
            if (iIndex == iSelectedSolutionNumber):
                xsDataIndexingSolutionSelected = XSDataIndexingSolutionSelected()
                xsDataIndexingSolutionSelected.setNumber(XSDataInteger(iIndex))
                edStringSelectedSpaceGroupName = edStringSpaceGroupName
                xsDataCellSelected = xsDataLabelitSolution.getUnitCell()
                fRmsdSelected = xsDataLabelitSolution.getRmsd().getValue()
                iNumberOfSpotsSelected = xsDataLabelitSolution.getNumberOfSpots().getValue()

        xsDataCrystalSelected = XSDataCrystal()
        xsDataSpaceGroupSelected = XSDataSpaceGroup()
        xsDataSpaceGroupSelected.setName(XSDataString(edStringSelectedSpaceGroupName))
        xsDataSpaceGroupSelected.setITNumber(XSDataInteger(EDUtilsSymmetry.getITNumberFromSpaceGroupName(edStringSelectedSpaceGroupName)))
        xsDataCrystalSelected.setSpaceGroup(xsDataSpaceGroupSelected)
        xsDataCrystalSelected.setCell(xsDataCellSelected)
        xsDataCrystalSelected.setMosaicity(XSDataDouble(xsDataLabelitScreenOutput.getMosaicity().getValue()))
        xsDataIndexingSolutionSelected.setCrystal(xsDataCrystalSelected)

        xsDataOrientation = XSDataOrientation()
        xsDataOrientation.setMatrixA(xsDataLabelitMosflmScriptsOutput.getAMatrix())
        xsDataOrientation.setMatrixU(xsDataLabelitMosflmScriptsOutput.getUMatrix())
        xsDataIndexingSolutionSelected.setOrientation(xsDataOrientation)

        xsDataStatisticsIndexing = XSDataStatisticsIndexing()

        if (_xsDataExperimentalCondition is not None):
            fBeamPositionXOrig = _xsDataExperimentalCondition.getDetector().getBeamPositionX().getValue()
            fBeamPositionYOrig = _xsDataExperimentalCondition.getDetector().getBeamPositionY().getValue()
            fBeamPositionXNew = xsDataLabelitScreenOutput.getBeamCentreX().getValue()
            fBeamPositionYNew = xsDataLabelitScreenOutput.getBeamCentreY().getValue()
            xsDataStatisticsIndexing.setBeamPositionShiftX(XSDataLength(fBeamPositionXOrig - fBeamPositionXNew))
            xsDataStatisticsIndexing.setBeamPositionShiftY(XSDataLength(fBeamPositionYOrig - fBeamPositionYNew))

        # xsDataStatisticsIndexing.setSpotDeviXSDataLength( dDistanceRefinedationAngular( XSDataAngle( dDeviationAngular ) )
        xsDataStatisticsIndexing.setSpotDeviationPositional(XSDataLength(fRmsdSelected))
        xsDataStatisticsIndexing.setSpotsUsed(XSDataInteger(iNumberOfSpotsSelected))
        xsDataStatisticsIndexing.setSpotsTotal(XSDataInteger(iNumberOfSpotsSelected))
        xsDataIndexingSolutionSelected.setStatistics(xsDataStatisticsIndexing)

        xsDataExperimentalConditionRefined = None
        if (_xsDataExperimentalCondition is None):
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition()
        else:
            # Copy the incoming experimental condition
            xmlExperimentalCondition = _xsDataExperimentalCondition.marshal()
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition.parseString(xmlExperimentalCondition)

        xsDataDetector = xsDataExperimentalConditionRefined.getDetector()
        if (xsDataDetector is None):
            xsDataDetector = XSDataDetector()

        xsDataDetector.setBeamPositionX(xsDataLabelitScreenOutput.getBeamCentreX())
        xsDataDetector.setBeamPositionY(xsDataLabelitScreenOutput.getBeamCentreY())
        xsDataDetector.setDistance(xsDataLabelitScreenOutput.getDistance())

        xsDataExperimentalConditionRefined.setDetector(xsDataDetector)
        xsDataIndexingSolutionSelected.setExperimentalConditionRefined(xsDataExperimentalConditionRefined)

        xsDataIndexingResult.setSelectedSolution(xsDataIndexingSolutionSelected)

        xsDataIndexingResult.setIndexingLogFile(xsDataLabelitScreenOutput.getPathToLogFile())

        return xsDataIndexingResult
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:85,代碼來源:EDHandlerXSDataPhenixv1_1.py

示例10: testSetDataModelInput

    def testSetDataModelInput(self):
        from XSDataCCP4iv1_1 import XSDataInputCCP4i
        xsDataInputCCP4i = XSDataInputCCP4i()

        # Beam
        from XSDataCommon import XSDataFlux
        from XSDataCommon import XSDataSize
        from XSDataCommon import XSDataLength
        from XSDataCommon import XSDataFloat

        from XSDataMXv1 import XSDataBeam
        from XSDataMXv1 import XSDataExperimentalCondition

        xsExperimentalCondition = XSDataExperimentalCondition()

        xsBeam = XSDataBeam()
        xsBeam.setFlux(XSDataFlux(1e+12))
        xsBeam.setSize(XSDataSize(XSDataLength(0.1), XSDataLength(0.1)))
        xsBeam.setMinExposureTimePerImage(XSDataFloat(0.1))
        xsExperimentalCondition.setBeam(xsBeam)

        # Goniostat
        from XSDataCommon import XSDataSpeed
        from XSDataCommon import XSDataAngle

        from XSDataMXv1 import XSDataGoniostat

        xsDataGoniostat = XSDataGoniostat()
        xsDataGoniostat.setMaxOscillationSpeed(XSDataSpeed(0.2))
        xsDataGoniostat.setMinOscillationWidth(XSDataAngle(0.1))
        xsExperimentalCondition.setGoniostat(xsDataGoniostat)
        xsDataInputCCP4i.setExperimentalCondition(xsExperimentalCondition)

        # Sample
        from XSDataCommon import XSDataString
        from XSDataCommon import XSDataFloat
        from XSDataCommon import XSDataString

        from XSDataMXv1 import XSDataStructure
        from XSDataMXv1 import XSDataChain
        from XSDataMXv1 import XSDataAtom
        from XSDataMXv1 import XSDataLigand
        from XSDataMXv1 import XSDataSampleCrystalMM
        from XSDataMXv1 import XSDataChemicalCompositionMM
        from XSDataMXv1 import XSDataAtomicComposition
        from XSDataMXv1 import XSDataSolvent

        xsDataSampleCrystalMM = XSDataSampleCrystalMM()
        xsDataStructure = XSDataStructure()
        xsDataComposition = XSDataChemicalCompositionMM()

        xsDataChain = XSDataChain()
        xsDataChain.setType(XSDataString("protein"))
        xsDataChain.setNumberOfCopies(XSDataFloat(2))
        xsDataAtomicComposition = XSDataAtomicComposition()
        xsDataAtom1 = XSDataAtom()
        xsDataAtom1.setSymbol(XSDataString("Se"))
        xsDataAtom1.setNumberOf(XSDataFloat(4))
        xsDataAtomicComposition.addAtom(xsDataAtom1)

        xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
        xsDataChain.setNumberOfMonomers(XSDataFloat(100))
        xsDataStructure.addChain(xsDataChain)

        xsDataChain2 = XSDataChain()
        xsDataChain2.setType(XSDataString("rna"))
        xsDataChain2.setNumberOfCopies(XSDataFloat(1))
        xsDataChain2.setNumberOfMonomers(XSDataFloat(60))
        xsDataStructure.addChain(xsDataChain2)

        xsDataLigand = XSDataLigand()
        xsDataLigand.setNumberOfCopies(XSDataFloat(2))
        xsDataLigand.setNumberOfLightAtoms(XSDataFloat(42))
        xsDataAtomicComposition = XSDataAtomicComposition()
        xsDataAtom2 = XSDataAtom()
        xsDataAtom2.setSymbol(XSDataString("Fe"))
        xsDataAtom2.setNumberOf(XSDataFloat(1))
        xsDataAtomicComposition.addAtom(xsDataAtom2)
        xsDataLigand.setHeavyAtoms(xsDataAtomicComposition)
        xsDataStructure.addLigand(xsDataLigand)
        xsDataStructure.setNumberOfCopiesInAsymmetricUnit(XSDataFloat(0.25))

        xsDataSolvent = XSDataSolvent()
        xsDataAtomicComposition = XSDataAtomicComposition()

        xsDataAtom3 = XSDataAtom()
        xsDataAtom3.setSymbol(XSDataString("Na"))
        xsDataAtom3.setConcentration(XSDataFloat(1000))
        xsDataAtom4 = XSDataAtom()
        xsDataAtom4.setSymbol(XSDataString("Cl"))
        xsDataAtom4.setConcentration(XSDataFloat(1000))

        xsDataAtomicComposition.addAtom(xsDataAtom3)
        xsDataAtomicComposition.addAtom(xsDataAtom4)
        xsDataSolvent.setAtoms(xsDataAtomicComposition)

        xsDataComposition.setStructure(xsDataStructure)
        xsDataComposition.setSolvent(xsDataSolvent)
        xsDataSampleCrystalMM.setChemicalComposition(xsDataComposition)

#.........這裏部分代碼省略.........
開發者ID:IvarsKarpics,項目名稱:edna-mx,代碼行數:101,代碼來源:EDTestCasePluginUnitCCP4iv1_1.py

示例11: buildChildren

	def buildChildren(self, child_, nodeName_):
		if child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'experimentalCondition':
			obj_ = XSDataExperimentalCondition()
			obj_.build(child_)
			self.setExperimentalCondition(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'diffractionPlan':
			obj_ = XSDataDiffractionPlan()
			obj_.build(child_)
			self.setDiffractionPlan(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'sample':
			obj_ = XSDataSampleCrystalMM()
			obj_.build(child_)
			self.setSample(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'imagePath':
			obj_ = XSDataFile()
			obj_.build(child_)
			self.imagePath.append(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'flux':
			obj_ = XSDataFloat()
			obj_.build(child_)
			self.setFlux(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'minExposureTimePerImage':
			obj_ = XSDataTime()
			obj_.build(child_)
			self.setMinExposureTimePerImage(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'beamSize':
			obj_ = XSDataLength()
			obj_.build(child_)
			self.setBeamSize(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'beamSizeX':
			obj_ = XSDataLength()
			obj_.build(child_)
			self.setBeamSizeX(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'beamSizeY':
			obj_ = XSDataLength()
			obj_.build(child_)
			self.setBeamSizeY(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'templateMode':
			obj_ = XSDataBoolean()
			obj_.build(child_)
			self.setTemplateMode(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'generatedTemplateFile':
			obj_ = XSDataFile()
			obj_.build(child_)
			self.setGeneratedTemplateFile(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'resultsFilePath':
			obj_ = XSDataFile()
			obj_.build(child_)
			self.setResultsFilePath(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'beamPosX':
			obj_ = XSDataFloat()
			obj_.build(child_)
			self.setBeamPosX(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'beamPosY':
			obj_ = XSDataFloat()
			obj_.build(child_)
			self.setBeamPosY(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'wavelength':
			obj_ = XSDataWavelength()
			obj_.build(child_)
			self.setWavelength(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'transmission':
			obj_ = XSDataDouble()
			obj_.build(child_)
			self.setTransmission(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'dataCollectionId':
			obj_ = XSDataInteger()
			obj_.build(child_)
			self.setDataCollectionId(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'shortComments':
			obj_ = XSDataString()
			obj_.build(child_)
			self.setShortComments(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'comments':
			obj_ = XSDataString()
			obj_.build(child_)
			self.setComments(obj_)
		elif child_.nodeType == Node.ELEMENT_NODE and \
			nodeName_ == 'inputCharacterisation':
			obj_ = XSDataInputCharacterisation()
			obj_.build(child_)
#.........這裏部分代碼省略.........
開發者ID:antolinos,項目名稱:edna,代碼行數:101,代碼來源:XSDataInterfacev1_2.py

示例12: generateXSDataIntegrationSubWedgeResult

    def generateXSDataIntegrationSubWedgeResult(_xsDataMOSFLMOutputIntegration, _xsDataExperimentalCondition=None):
        """
        Translation from XSDataMOSFLMOutputIntegration to XSDataIntegrationSubWedgeResult.
        """
        EDVerbose.DEBUG("EDHandlerXSDataMOSFLMv10.generateXSDataIntegrationInput")
        EDFactoryPluginStatic.loadModule("XSDataMOSFLMv10")
        xsDataIntegrationSubWedgeResult = XSDataIntegrationSubWedgeResult()
        xsDataExperimentalConditionRefined = None
        if (_xsDataExperimentalCondition is None):
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition()
        else:
            # Copy the incoming experimental condition
            xmlExperimentalCondition = _xsDataExperimentalCondition.marshal()
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition.parseString(xmlExperimentalCondition)

        xsDataDetector = xsDataExperimentalConditionRefined.getDetector()
        if (xsDataDetector is None):
            xsDataDetector = XSDataDetector()

        xsDataIntegrationSubWedgeResult.setBestfilePar(XSDataString(_xsDataMOSFLMOutputIntegration.getBestfilePar().getValue()))
        xsDataIntegrationSubWedgeResult.setBestfileDat(XSDataString(_xsDataMOSFLMOutputIntegration.getBestfileDat().getValue()))
        xsDataIntegrationSubWedgeResult.setBestfileHKL(XSDataString(_xsDataMOSFLMOutputIntegration.getBestfileHKL().getValue()))

        xsDataLengthRefinedDistance = _xsDataMOSFLMOutputIntegration.getRefinedDistance()
        if (xsDataLengthRefinedDistance is not None):
            xsDataDetector.setDistance(xsDataLengthRefinedDistance)

        xsDataMOSFLMBeamPositionRefined = _xsDataMOSFLMOutputIntegration.getRefinedBeam()
        if (xsDataMOSFLMBeamPositionRefined is not None):
            xsDataDetector.setBeamPositionX(XSDataLength(xsDataMOSFLMBeamPositionRefined.getX().getValue()))
            xsDataDetector.setBeamPositionY(XSDataLength(xsDataMOSFLMBeamPositionRefined.getY().getValue()))

        xsDataExperimentalConditionRefined.setDetector(xsDataDetector)
        xsDataIntegrationSubWedgeResult.setExperimentalConditionRefined(xsDataExperimentalConditionRefined)

        if (_xsDataMOSFLMOutputIntegration.getGeneratedMTZFile() is not None):
            xsDataIntegrationSubWedgeResult.setGeneratedMTZFile(_xsDataMOSFLMOutputIntegration.getGeneratedMTZFile())

        xsDataStatisticsIntegration = XSDataStatisticsIntegration()
        if (_xsDataMOSFLMOutputIntegration.getOverallIOverSigma() is not None):
            xsDataStatisticsIntegration.setIOverSigmaOverall(XSDataDouble(_xsDataMOSFLMOutputIntegration.getOverallIOverSigma().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getHighestResolutionIOverSigma() is not None):
            xsDataStatisticsIntegration.setIOverSigmaAtHighestResolution(XSDataDouble(_xsDataMOSFLMOutputIntegration.getHighestResolutionIOverSigma().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getRMSSpotDeviation() is not None):
            xsDataStatisticsIntegration.setRMSSpotDeviation(XSDataLength(_xsDataMOSFLMOutputIntegration.getRMSSpotDeviation().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfBadReflections() is not None):
            xsDataStatisticsIntegration.setNumberOfBadReflections(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfBadReflections().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections() is not None):
            xsDataStatisticsIntegration.setNumberOfFullyRecordedReflections(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfNegativeReflections() is not None):
            xsDataStatisticsIntegration.setNumberOfNegativeReflections(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfNegativeReflections().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfOverlappedReflections() is not None):
            xsDataStatisticsIntegration.setNumberOfOverlappedReflections(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfOverlappedReflections().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfPartialReflections() is not None):
            xsDataStatisticsIntegration.setNumberOfPartialReflections(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfPartialReflections().getValue()))
        if (_xsDataMOSFLMOutputIntegration.getNumberOfReflectionsGenerated() is not None):
            xsDataStatisticsIntegration.setNumberOfReflectionsGenerated(XSDataInteger(_xsDataMOSFLMOutputIntegration.getNumberOfReflectionsGenerated().getValue()))

        xsDataIntegrationSubWedgeResult.setStatistics(xsDataStatisticsIntegration)
        xsDataIntegrationSubWedgeResult.setExperimentalConditionRefined(xsDataExperimentalConditionRefined)

        for xsDataMOSFLMIntegrationStatisticsPerResolutionBin in _xsDataMOSFLMOutputIntegration.getStatisticsPerResolutionBin():
            xsDataStatisticsIntegrationPerResolutionBin = XSDataStatisticsIntegrationPerResolutionBin()
            if (xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMaxResolution() is not None):
                xsDataStatisticsIntegrationPerResolutionBin.setMaxResolution(XSDataDouble(xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMaxResolution().getValue()))
            if (xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMinResolution() is not None):
                xsDataStatisticsIntegrationPerResolutionBin.setMinResolution(XSDataDouble(xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMinResolution().getValue()))

            xsDataStatisticsIntegrationPerResolutionBin.setProfileFitted(EDHandlerXSDataMOSFLMv10.generateXSDataIntegrationStatisticsPerReflectionType(xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getProfileFitted()))
            xsDataStatisticsIntegrationPerResolutionBin.setSummation(EDHandlerXSDataMOSFLMv10.generateXSDataIntegrationStatisticsPerReflectionType(xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getSummation()))

            xsDataIntegrationSubWedgeResult.addStatisticsPerResolutionBin(xsDataStatisticsIntegrationPerResolutionBin)

        return xsDataIntegrationSubWedgeResult
開發者ID:olofsvensson,項目名稱:edna-plugins-mx,代碼行數:74,代碼來源:EDHandlerXSDataMOSFLMv10.py

示例13: generateXSDataIndexingResult

    def generateXSDataIndexingResult(_xsDataMOSFLMIndexingOutput, _xsDataExperimentalCondition=None):
        """
        Translation from XSDataMOSFLMIndexingOutput to XSDataIndexingResult.
        """
        EDVerbose.DEBUG("EDHandlerXSDataMOSFLMv10.generateXSDataIndexingOutput")
        xsDataMOSFLMBeamPositionRefined = _xsDataMOSFLMIndexingOutput.getRefinedBeam()
        xsDataMOSFLMBeamPositionShift = _xsDataMOSFLMIndexingOutput.getBeamShift()
        dDeviationAngular = _xsDataMOSFLMIndexingOutput.getDeviationAngular().getValue()
        dDeviationPositional = _xsDataMOSFLMIndexingOutput.getDeviationPositional().getValue()
        dMosaicityEstimation = _xsDataMOSFLMIndexingOutput.getMosaicityEstimation().getValue()
        dDistanceRefined = _xsDataMOSFLMIndexingOutput.getRefinedDistance().getValue()
        iSelectedSolution = _xsDataMOSFLMIndexingOutput.getSelectedSolutionNumber().getValue()
        iSpotsTotal = _xsDataMOSFLMIndexingOutput.getSpotsTotal().getValue()
        iSpotsUsed = _xsDataMOSFLMIndexingOutput.getSpotsUsed().getValue()
        xsDataCellRefined = _xsDataMOSFLMIndexingOutput.getRefinedNewmat().getRefinedCell()
        xsDataMatrixA = _xsDataMOSFLMIndexingOutput.getRefinedNewmat().getAMatrix()
        xsDataMatrixU = _xsDataMOSFLMIndexingOutput.getRefinedNewmat().getUMatrix()
        strSelectedSpaceGroupName = _xsDataMOSFLMIndexingOutput.getSelectedSolutionSpaceGroup().getValue()
        iSelectedSpaceGroupNumber = _xsDataMOSFLMIndexingOutput.getSelectedSolutionSpaceGroupNumber().getValue()

        xsDataIndexingResult = XSDataIndexingResult()
        xsDataIndexingSolutionSelected = None

        for possibleSolutions in _xsDataMOSFLMIndexingOutput.getPossibleSolutions():
            xsDataCrystal = XSDataCrystal()
            xsDataSpaceGroup = XSDataSpaceGroup()
            xsDataSpaceGroup.setName(XSDataString(possibleSolutions.getLattice().getValue()))
            xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
            xsDataCrystal.setCell(possibleSolutions.getCell())
            xsDataIndexingSolution = XSDataIndexingSolution()
            xsDataIndexingSolution.setCrystal(xsDataCrystal)
            iIndex = possibleSolutions.getIndex().getValue()
            xsDataIndexingSolution.setNumber(XSDataInteger(iIndex))
            xsDataIndexingSolution.setPenalty(XSDataFloat(possibleSolutions.getPenalty().getValue()))
            xsDataIndexingResult.addSolution(xsDataIndexingSolution)
            if (iIndex == iSelectedSolution):
                xsDataIndexingSolutionSelected = XSDataIndexingSolutionSelected()
                xsDataIndexingSolutionSelected.setNumber(XSDataInteger(iIndex))
                xsDataIndexingSolutionSelected.setPenalty(XSDataFloat(possibleSolutions.getPenalty().getValue()))

        xsDataCrystalSelected = XSDataCrystal()
        xsDataSpaceGroupSelected = XSDataSpaceGroup()
        xsDataSpaceGroupSelected.setName(XSDataString(strSelectedSpaceGroupName))
        xsDataSpaceGroupSelected.setITNumber(XSDataInteger(iSelectedSpaceGroupNumber))
        xsDataCrystalSelected.setSpaceGroup(xsDataSpaceGroupSelected)
        xsDataCrystalSelected.setCell(xsDataCellRefined)
        xsDataCrystalSelected.setMosaicity(XSDataDouble(dMosaicityEstimation))
        xsDataIndexingSolutionSelected.setCrystal(xsDataCrystalSelected)

        xsDataOrientation = XSDataOrientation()
        xsDataOrientation.setMatrixA(xsDataMatrixA)
        xsDataOrientation.setMatrixU(xsDataMatrixU)
        xsDataIndexingSolutionSelected.setOrientation(xsDataOrientation)

        xsDataStatisticsIndexing = XSDataStatisticsIndexing()

        xsDataStatisticsIndexing.setBeamPositionShiftX(XSDataLength(xsDataMOSFLMBeamPositionShift.getX().getValue()))
        xsDataStatisticsIndexing.setBeamPositionShiftY(XSDataLength(xsDataMOSFLMBeamPositionShift.getY().getValue()))
        xsDataStatisticsIndexing.setSpotDeviationAngular(XSDataAngle(dDeviationAngular))
        xsDataStatisticsIndexing.setSpotDeviationPositional(XSDataLength(dDeviationPositional))
        xsDataStatisticsIndexing.setSpotsUsed(XSDataInteger(iSpotsUsed))
        xsDataStatisticsIndexing.setSpotsTotal(XSDataInteger(iSpotsTotal))
        xsDataIndexingSolutionSelected.setStatistics(xsDataStatisticsIndexing)

        xsDataExperimentalConditionRefined = None
        if (_xsDataExperimentalCondition is None):
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition()
        else:
            # Copy the incoming experimental condition
            xmlExperimentalCondition = _xsDataExperimentalCondition.marshal()
            xsDataExperimentalConditionRefined = XSDataExperimentalCondition.parseString(xmlExperimentalCondition)

        xsDataDetector = xsDataExperimentalConditionRefined.getDetector()
        if (xsDataDetector is None):
            xsDataDetector = XSDataDetector()

        xsDataDetector.setBeamPositionX(XSDataLength(xsDataMOSFLMBeamPositionRefined.getX().getValue()))
        xsDataDetector.setBeamPositionY(XSDataLength(xsDataMOSFLMBeamPositionRefined.getY().getValue()))
        xsDataDetector.setDistance(XSDataLength(dDistanceRefined))

        xsDataExperimentalConditionRefined.setDetector(xsDataDetector)
        xsDataIndexingSolutionSelected.setExperimentalConditionRefined(xsDataExperimentalConditionRefined)

        xsDataIndexingResult.setSelectedSolution(xsDataIndexingSolutionSelected)

        return xsDataIndexingResult
開發者ID:olofsvensson,項目名稱:edna-plugins-mx,代碼行數:86,代碼來源:EDHandlerXSDataMOSFLMv10.py

示例14: process

    def process(self, _edObject=None):
        EDPluginExec.process(self)
        EDVerbose.DEBUG("EDPluginExecReadImageHeaderMARCCDv10.process")
        xsDataInputReadImageHeader = self.getDataInput()
        xsDataFile = xsDataInputReadImageHeader.getImage()
        strPath = xsDataFile.getPath().getValue()
        dictMARCCDHeader = self.readHeaderMarccd(strPath)
        if (dictMARCCDHeader is None):
            strErrorMessage = "EDPluginExecReadImageHeaderMARCCDv10.process : Cannot read header : %s" % strPath
            EDVerbose.error(strErrorMessage)
            self.addErrorMessage(strErrorMessage)
            self.setFailure()
        else:
            xsDataExperimentalCondition = XSDataExperimentalCondition()
            xsDataDetector = XSDataDetector()

            iNoPixelsX = int(dictMARCCDHeader[ "nslow"   ])
            iNoPixelsY = int(dictMARCCDHeader[ "nfast"   ])
            xsDataDetector.setNumberPixelX(XSDataInteger(iNoPixelsX))
            xsDataDetector.setNumberPixelY(XSDataInteger(iNoPixelsY))
            fPixelSizeX = float(dictMARCCDHeader[ "pixelsize_x"   ]) / 1000.0
            xsDataDetector.setPixelSizeX(XSDataLength(fPixelSizeX))
            fPixelSizeY = float(dictMARCCDHeader[ "pixelsize_y"   ]) / 1000.0
            xsDataDetector.setPixelSizeY(XSDataLength(fPixelSizeY))
            fBeamPositionX = float(dictMARCCDHeader[ "beam_x" ]) / 1000.0
            fBeamPositionY = float(dictMARCCDHeader[ "beam_y" ]) / 1000.0
            # Fix for bug 397 - check if the beam position is close to the centre of the image
            fTwoTheta = float(dictMARCCDHeader[ "end_twotheta"   ]) / 1000.0
            xsDataDetector.setTwoTheta(XSDataAngle(fTwoTheta))
            if (abs(fTwoTheta) < 0.1):
                if (abs(fBeamPositionX / (fPixelSizeX / 1000.0) - iNoPixelsX / 2.0) > (2 * iNoPixelsX)):
                    fBeamPositionX = fBeamPositionX * fPixelSizeX / 1000.0
                    fBeamPositionY = fBeamPositionY * fPixelSizeY / 1000.0
            xsDataDetector.setBeamPositionX(XSDataLength(fBeamPositionX))
            xsDataDetector.setBeamPositionY(XSDataLength(fBeamPositionY))
            fDistance = float(dictMARCCDHeader[ "xtal_to_detector"   ]) / 1000.0
            if (abs(fDistance) < 0.1):
                fDistanceStart = float(dictMARCCDHeader[ "start_xtal_to_detector"   ]) / 1000.0
                fDistanceEnd = float(dictMARCCDHeader[ "end_xtal_to_detector"   ]) / 1000.0
                if (abs(fDistanceStart - fDistanceEnd) < 0.1):
                    fDistance = fDistanceStart
                else:
                    # Somethings very wrong with the distances...
                    strErrorMessage = "EDPluginExecReadImageHeaderMARCCDv10.process : Inconsistency in MAR CCD image header: start_xtal_to_detector = %d, end_xtal_to_detector = %d" % \
                                                                           (fDistanceStart, fDistanceEnd)
                    EDVerbose.error(strErrorMessage)
                    self.addErrorMessage(strErrorMessage)
                    self.setFailure()
            xsDataDetector.setDistance(XSDataLength(fDistance))
            xsDataDetector.setNumberBytesInHeader(XSDataInteger(float(dictMARCCDHeader[ "header_size"   ])))
            # xsDataDetector.setSerialNumber(        XSDataInteger(  dictMARCCDHeader[ "DETECTOR_SN"   ] ) ) )
            # xsDataDetector.setBin(                 XSDataString(   dictMARCCDHeader[ "BIN" ] ) ) )
            # xsDataDetector.setDataType(            XSDataString(   dictMARCCDHeader[ "TYPE" ] ) ) )
            # xsDataDetector.setByteOrder(           XSDataString(   dictMARCCDHeader[ "BYTE_ORDER" ] ) ) )
            xsDataDetector.setImageSaturation(XSDataInteger(int(dictMARCCDHeader[ "saturation_level" ])))
            # Determine type of detector...
            if (iNoPixelsX == 2048 and iNoPixelsY == 2048):
                xsDataDetector.setName(XSDataString("MAR CCD 165"))
                xsDataDetector.setType(XSDataString("mar165"))
            elif (iNoPixelsX == 3072 and iNoPixelsY == 3072):
                xsDataDetector.setName(XSDataString("MAR CCD 225"))
                xsDataDetector.setType(XSDataString("mar225"))
            elif (iNoPixelsX == 4096 and iNoPixelsY == 4096):
                xsDataDetector.setName(XSDataString("MAR CCD 325"))
                xsDataDetector.setType(XSDataString("mar325"))
            else:
                strErrorMessage = EDMessage.ERROR_DATA_HANDLER_02 % ("EDPluginExecReadImageHeaderMARCCDv10.process", "Unknown detector type")
                EDVerbose.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                raise RuntimeError, strErrorMessage

            xsDataExperimentalCondition.setDetector(xsDataDetector)

            # Beam object

            xsDataBeam = XSDataBeam()
            xsDataBeam.setWavelength(XSDataWavelength(float(dictMARCCDHeader[ "source_wavelength" ]) / 100000.0))
            xsDataBeam.setExposureTime(XSDataTime(float(dictMARCCDHeader[ "exposure_time" ]) / 1000.0))
            xsDataExperimentalCondition.setBeam(xsDataBeam)

            # Goniostat object
            xsDataGoniostat = XSDataGoniostat()
            fRotationAxisStart = float(dictMARCCDHeader[ "start_phi" ]) / 1000.0
            fOscillationWidth = float(dictMARCCDHeader[ "rotation_range" ]) / 1000.0
            xsDataGoniostat.setRotationAxisStart(XSDataAngle(fRotationAxisStart))
            xsDataGoniostat.setRotationAxisEnd(XSDataAngle(fRotationAxisStart + fOscillationWidth))
            xsDataGoniostat.setOscillationWidth(XSDataAngle(fOscillationWidth))
            xsDataExperimentalCondition.setGoniostat(xsDataGoniostat)

            # Create the image object
            xsDataImage = XSDataImage()
            xsDataImage.setPath(XSDataString(strPath))
            strTimeStamp = dictMARCCDHeader[ "acquire_timestamp" ]
            xsDataImage.setDate(XSDataString(strTimeStamp))
            iImageNumber = EDUtilsImage.getImageNumber(strPath)
            xsDataImage.setNumber(XSDataInteger(iImageNumber))

            xsDataSubWedge = XSDataSubWedge()
            xsDataSubWedge.setExperimentalCondition(xsDataExperimentalCondition)
            xsDataSubWedge.addImage(xsDataImage)
#.........這裏部分代碼省略.........
開發者ID:edna-site,項目名稱:edna,代碼行數:101,代碼來源:EDPluginExecReadImageHeaderMARCCDv10.py

示例15: getXSDataResultStrategy

    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
開發者ID:edna-site,項目名稱:edna,代碼行數:73,代碼來源:EDHandlerXSDataBestv1_2.py


注:本文中的XSDataMXv1.XSDataExperimentalCondition類示例由純淨天空整理自Github/MSDocs等開源代碼及文檔管理平台,相關代碼片段篩選自各路編程大神貢獻的開源項目,源碼版權歸原作者所有,傳播和使用請參考對應項目的License;未經允許,請勿轉載。