Пример #1
0
    def getReferenceDataMOSFLMNewmat(self):

        xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()

        XSDataMatrixDoubleA = XSDataMatrixDouble()
        XSDataMatrixDoubleA.setM11(-0.00826416)
        XSDataMatrixDoubleA.setM12(0.00885073)
        XSDataMatrixDoubleA.setM13(0.00937013)
        XSDataMatrixDoubleA.setM21(0.00126554)
        XSDataMatrixDoubleA.setM22(0.01251971)
        XSDataMatrixDoubleA.setM23(-0.00845341)
        XSDataMatrixDoubleA.setM31(-0.01484956)
        XSDataMatrixDoubleA.setM32(-0.00385867)
        XSDataMatrixDoubleA.setM33(-0.00593515)
        xsDataMOSFLMNewmat.setAMatrix(XSDataMatrixDoubleA)

        xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
        xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(1.000))
        xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(2.000))
        xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(3.000))
        xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

        XSDataMatrixDoubleU = XSDataMatrixDouble()
        XSDataMatrixDoubleU.setM11(-0.4849475)
        XSDataMatrixDoubleU.setM12(0.5598049)
        XSDataMatrixDoubleU.setM13(0.6718960)
        XSDataMatrixDoubleU.setM21(0.0742629)
        XSDataMatrixDoubleU.setM22(0.7918670)
        XSDataMatrixDoubleU.setM23(-0.6061614)
        XSDataMatrixDoubleU.setM31(-0.8713845)
        XSDataMatrixDoubleU.setM32(-0.2440595)
        XSDataMatrixDoubleU.setM33(-0.4255866)
        xsDataMOSFLMNewmat.setUMatrix(XSDataMatrixDoubleU)

        xsDataCellRefined = XSDataCell()
        xsDataCellRefined.setLength_a(XSDataLength(54.8079))
        xsDataCellRefined.setLength_b(XSDataLength(59.0751))
        xsDataCellRefined.setLength_c(XSDataLength(66.9736))
        xsDataCellRefined.setAngle_alpha(XSDataAngle(91.0000))
        xsDataCellRefined.setAngle_beta(XSDataAngle(92.0000))
        xsDataCellRefined.setAngle_gamma(XSDataAngle(93.0000))
        xsDataMOSFLMNewmat.setRefinedCell(xsDataCellRefined)

        return xsDataMOSFLMNewmat
    def getReferenceDataMOSFLMNewmat(self):

        xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()

        XSDataMatrixDoubleA = XSDataMatrixDouble()
        XSDataMatrixDoubleA.setM11(-0.00826416)
        XSDataMatrixDoubleA.setM12(0.00885073)
        XSDataMatrixDoubleA.setM13(0.00937013)
        XSDataMatrixDoubleA.setM21(0.00126554)
        XSDataMatrixDoubleA.setM22(0.01251971)
        XSDataMatrixDoubleA.setM23(-0.00845341)
        XSDataMatrixDoubleA.setM31(-0.01484956)
        XSDataMatrixDoubleA.setM32(-0.00385867)
        XSDataMatrixDoubleA.setM33(-0.00593515)
        xsDataMOSFLMNewmat.setAMatrix(XSDataMatrixDoubleA)

        xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
        xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(1.000))
        xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(2.000))
        xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(3.000))
        xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

        XSDataMatrixDoubleU = XSDataMatrixDouble()
        XSDataMatrixDoubleU.setM11(-0.4849475)
        XSDataMatrixDoubleU.setM12(0.5598049)
        XSDataMatrixDoubleU.setM13(0.6718960)
        XSDataMatrixDoubleU.setM21(0.0742629)
        XSDataMatrixDoubleU.setM22(0.7918670)
        XSDataMatrixDoubleU.setM23(-0.6061614)
        XSDataMatrixDoubleU.setM31(-0.8713845)
        XSDataMatrixDoubleU.setM32(-0.2440595)
        XSDataMatrixDoubleU.setM33(-0.4255866)
        xsDataMOSFLMNewmat.setUMatrix(XSDataMatrixDoubleU)

        xsDataCellRefined = XSDataCell()
        xsDataCellRefined.setLength_a(XSDataLength(54.8079))
        xsDataCellRefined.setLength_b(XSDataLength(59.0751))
        xsDataCellRefined.setLength_c(XSDataLength(66.9736))
        xsDataCellRefined.setAngle_alpha(XSDataAngle(91.0000))
        xsDataCellRefined.setAngle_beta(XSDataAngle(92.0000))
        xsDataCellRefined.setAngle_gamma(XSDataAngle(93.0000))
        xsDataMOSFLMNewmat.setRefinedCell(xsDataCellRefined)

        return xsDataMOSFLMNewmat
Пример #3
0
    def getDataMOSFLMNewmat(self, _strNewmatFileName=None):
        self.DEBUG("EDPluginMOSFLMv10.getDataMOSFLMNewmat")
        xsDataMOSFLMNewmat = None
        strNewmatFileName = None
        listOfListOfFloat = []
        if (_strNewmatFileName == None):
            strNewmatFileName = self.getNewmatFileName()
        else:
            strNewmatFileName = _strNewmatFileName
        strNewmat = None
        try:
            strNewmat = self.readProcessFile(strNewmatFileName)
        except:
            strError = self.readProcessErrorLogFile()
            if (strError is not None) and (strError != ""):
                strErrorMessage = "EDPluginMOSFLMv10.getDataMOSFLMNewmat: %s : error reading newmat file : %s" % \
                                (self.getClassName(), strError)
                self.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                self.setFailure()
            else:
                strErrorMessage = "EDPluginMOSFLMv10.getDataMOSFLMNewmat : Cannot read MOSFLM NEWMAT file : " + strNewmatFileName
                self.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                self.setFailure()
        #print strNewmat
        if (strNewmat is not None):
            listLine = strNewmat.split("\n")
            # Convert into list of lists of float
            for strLine in listLine:
                if not strLine.startswith("SYMM"):
                    listOfListOfFloat.append(self.splitStringIntoListOfFloats(strLine))
            # Fill in the data
            xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()

            XSDataMatrixDoubleA = XSDataMatrixDouble()
            XSDataMatrixDoubleA.setM11(listOfListOfFloat[0][0])
            XSDataMatrixDoubleA.setM12(listOfListOfFloat[0][1])
            XSDataMatrixDoubleA.setM13(listOfListOfFloat[0][2])
            XSDataMatrixDoubleA.setM21(listOfListOfFloat[1][0])
            XSDataMatrixDoubleA.setM22(listOfListOfFloat[1][1])
            XSDataMatrixDoubleA.setM23(listOfListOfFloat[1][2])
            XSDataMatrixDoubleA.setM31(listOfListOfFloat[2][0])
            XSDataMatrixDoubleA.setM32(listOfListOfFloat[2][1])
            XSDataMatrixDoubleA.setM33(listOfListOfFloat[2][2])
            xsDataMOSFLMNewmat.setAMatrix(XSDataMatrixDoubleA)

            xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
            xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(listOfListOfFloat[3][0]))
            xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(listOfListOfFloat[3][1]))
            xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(listOfListOfFloat[3][2]))
            xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

            XSDataMatrixDoubleU = XSDataMatrixDouble()
            XSDataMatrixDoubleU.setM11(listOfListOfFloat[4][0])
            XSDataMatrixDoubleU.setM12(listOfListOfFloat[4][1])
            XSDataMatrixDoubleU.setM13(listOfListOfFloat[4][2])
            XSDataMatrixDoubleU.setM21(listOfListOfFloat[5][0])
            XSDataMatrixDoubleU.setM22(listOfListOfFloat[5][1])
            XSDataMatrixDoubleU.setM23(listOfListOfFloat[5][2])
            XSDataMatrixDoubleU.setM31(listOfListOfFloat[6][0])
            XSDataMatrixDoubleU.setM32(listOfListOfFloat[6][1])
            XSDataMatrixDoubleU.setM33(listOfListOfFloat[6][2])
            xsDataMOSFLMNewmat.setUMatrix(XSDataMatrixDoubleU)

            xsDataCellRefined = XSDataCell()
            xsDataCellRefined.setLength_a(XSDataLength(listOfListOfFloat[7][0]))
            xsDataCellRefined.setLength_b(XSDataLength(listOfListOfFloat[7][1]))
            xsDataCellRefined.setLength_c(XSDataLength(listOfListOfFloat[7][2]))
            xsDataCellRefined.setAngle_alpha(XSDataAngle(listOfListOfFloat[7][3]))
            xsDataCellRefined.setAngle_beta(XSDataAngle(listOfListOfFloat[7][4]))
            xsDataCellRefined.setAngle_gamma(XSDataAngle(listOfListOfFloat[7][5]))
            xsDataMOSFLMNewmat.setRefinedCell(xsDataCellRefined)

        return xsDataMOSFLMNewmat
    def generateXSDataMOSFLMInputGeneratePrediction(
            xsDataGeneratePredictionInput):
        """
        Translation from XSDataGeneratePredictionInput to XSDataMOSFLMInputGeneratePrediction.
        """
        EDVerbose.DEBUG(
            "EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputGeneratePrediction"
        )
        EDFactoryPluginStatic.loadModule("XSDataMOSFLMv10")
        from XSDataMOSFLMv10 import XSDataMOSFLMBeamPosition
        from XSDataMOSFLMv10 import XSDataMOSFLMImage
        from XSDataMOSFLMv10 import XSDataMOSFLMNewmat
        from XSDataMOSFLMv10 import XSDataMOSFLMMissettingsAngles
        from XSDataMOSFLMv10 import XSDataMOSFLMInputGeneratePrediction

        xsDataIndexingSolutionSelected = xsDataGeneratePredictionInput.getSelectedIndexingSolution(
        )

        xsDataCollection = xsDataGeneratePredictionInput.getDataCollection()
        xsDataSubWedge = xsDataCollection.getSubWedge()[0]
        xsDataImageList = xsDataSubWedge.getImage()
        xsDataImageFirst = xsDataImageList[0]

        xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
        xsDataOrientation = xsDataIndexingSolutionSelected.getOrientation()
        xsDataExperimentalCondition = xsDataIndexingSolutionSelected.getExperimentalConditionRefined(
        )
        xsDataDetector = xsDataExperimentalCondition.getDetector()
        xsDataBeam = xsDataExperimentalCondition.getBeam()
        xsDataMatrixA = xsDataOrientation.getMatrixA()
        xsDataMatrixU = xsDataOrientation.getMatrixU()
        xsDataCell = xsDataCrystal.getCell()

        xsDataMOSFLMInputGeneratePrediction = XSDataMOSFLMInputGeneratePrediction(
        )
        xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()
        xsDataMOSFLMNewmat.setRefinedCell(xsDataCell)
        xsDataMOSFLMNewmat.setAMatrix(xsDataMatrixA)
        xsDataMOSFLMNewmat.setUMatrix(xsDataMatrixU)
        xsDataMOSFLMInputGeneratePrediction.setMatrix(xsDataMOSFLMNewmat)

        xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
        xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(0.0))
        xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

        xsDataMOSFLMBeamPosition = XSDataMOSFLMBeamPosition()
        xsDataMOSFLMBeamPosition.setX(xsDataDetector.getBeamPositionX())
        xsDataMOSFLMBeamPosition.setY(xsDataDetector.getBeamPositionY())
        xsDataMOSFLMInputGeneratePrediction.setBeam(xsDataMOSFLMBeamPosition)

        xsDataMOSFLMInputGeneratePrediction.setMosaicity(
            xsDataCrystal.getMosaicity())
        xsDataMOSFLMInputGeneratePrediction.setSymmetry(
            xsDataCrystal.getSpaceGroup().getName())

        strPathFirst = xsDataImageFirst.getPath().getValue()
        strDirectoryFirst = os.path.dirname(strPathFirst)
        strFilenameFirst = os.path.basename(strPathFirst)

        xsDataMOSFLMInputGeneratePrediction.setWavelength(
            xsDataBeam.getWavelength())
        xsDataMOSFLMInputGeneratePrediction.setDistance(
            xsDataDetector.getDistance())
        xsDataMOSFLMInputGeneratePrediction.setDirectory(
            XSDataString(strDirectoryFirst))
        xsDataMOSFLMDetector = EDHandlerXSDataMOSFLMv10.getXSDataMOSFLMDetector(
            xsDataDetector)
        xsDataMOSFLMInputGeneratePrediction.setDetector(xsDataMOSFLMDetector)

        # The MOSFLM plugin can only handle one image

        xsDataImage = xsDataSubWedge.getImage()[0]
        xsDataGoniostat = xsDataSubWedge.getExperimentalCondition(
        ).getGoniostat()

        iImageNumber = xsDataImage.getNumber().getValue()

        if xsDataDetector.type.value == "eiger2_16m":
            strMOSFLMTemplate = EDUtilsImage.getH5MasterTemplate(
                strFilenameFirst, iImageNumber)
        else:
            strMOSFLMTemplate = EDUtilsImage.getTemplate(strFilenameFirst, "#")
        xsDataMOSFLMInputGeneratePrediction.setTemplate(
            XSDataString(strMOSFLMTemplate))

        xsDataMOSFLMImage = XSDataMOSFLMImage()
        xsDataMOSFLMImage.setNumber(XSDataInteger(iImageNumber))

        fOscillationStart = xsDataGoniostat.getRotationAxisStart().getValue()
        fOscillationRange = xsDataGoniostat.getOscillationWidth().getValue()
        xsDataMOSFLMImage.setRotationAxisStart(XSDataAngle(fOscillationStart))
        xsDataMOSFLMImage.setRotationAxisEnd(
            XSDataAngle(fOscillationStart + fOscillationRange))

        xsDataMOSFLMInputGeneratePrediction.setImage(xsDataMOSFLMImage)

        return xsDataMOSFLMInputGeneratePrediction
Пример #5
0
    def getDataMOSFLMNewmat(self, _strNewmatFileName=None):
        self.DEBUG("EDPluginMOSFLMv10.getDataMOSFLMNewmat")
        xsDataMOSFLMNewmat = None
        strNewmatFileName = None
        listOfListOfFloat = []
        if (_strNewmatFileName == None):
            strNewmatFileName = self.getNewmatFileName()
        else:
            strNewmatFileName = _strNewmatFileName
        strNewmat = None
        try:
            strNewmat = self.readProcessFile(strNewmatFileName)
        except:
            strError = self.readProcessErrorLogFile()
            if (strError is not None) and (strError != ""):
                strErrorMessage = "EDPluginMOSFLMv10.getDataMOSFLMNewmat: %s : error reading newmat file : %s" % \
                                (self.getClassName(), strError)
                self.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                self.setFailure()
            else:
                strErrorMessage = "EDPluginMOSFLMv10.getDataMOSFLMNewmat : Cannot read MOSFLM NEWMAT file : " + strNewmatFileName
                self.error(strErrorMessage)
                self.addErrorMessage(strErrorMessage)
                self.setFailure()
        # print strNewmat
        if (strNewmat is not None):
            listLine = strNewmat.split("\n")
            # Convert into list of lists of float
            for strLine in listLine:
                if not strLine.startswith("SYMM"):
                    listOfListOfFloat.append(
                        self.splitStringIntoListOfFloats(strLine))
            # Fill in the data
            xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()

            XSDataMatrixDoubleA = XSDataMatrixDouble()
            XSDataMatrixDoubleA.setM11(listOfListOfFloat[0][0])
            XSDataMatrixDoubleA.setM12(listOfListOfFloat[0][1])
            XSDataMatrixDoubleA.setM13(listOfListOfFloat[0][2])
            XSDataMatrixDoubleA.setM21(listOfListOfFloat[1][0])
            XSDataMatrixDoubleA.setM22(listOfListOfFloat[1][1])
            XSDataMatrixDoubleA.setM23(listOfListOfFloat[1][2])
            XSDataMatrixDoubleA.setM31(listOfListOfFloat[2][0])
            XSDataMatrixDoubleA.setM32(listOfListOfFloat[2][1])
            XSDataMatrixDoubleA.setM33(listOfListOfFloat[2][2])
            xsDataMOSFLMNewmat.setAMatrix(XSDataMatrixDoubleA)

            xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
            xsDataMOSFLMMissettingsAngles.setPhix(
                XSDataAngle(listOfListOfFloat[3][0]))
            xsDataMOSFLMMissettingsAngles.setPhiy(
                XSDataAngle(listOfListOfFloat[3][1]))
            xsDataMOSFLMMissettingsAngles.setPhiz(
                XSDataAngle(listOfListOfFloat[3][2]))
            xsDataMOSFLMNewmat.setMissettingAngles(
                xsDataMOSFLMMissettingsAngles)

            XSDataMatrixDoubleU = XSDataMatrixDouble()
            XSDataMatrixDoubleU.setM11(listOfListOfFloat[4][0])
            XSDataMatrixDoubleU.setM12(listOfListOfFloat[4][1])
            XSDataMatrixDoubleU.setM13(listOfListOfFloat[4][2])
            XSDataMatrixDoubleU.setM21(listOfListOfFloat[5][0])
            XSDataMatrixDoubleU.setM22(listOfListOfFloat[5][1])
            XSDataMatrixDoubleU.setM23(listOfListOfFloat[5][2])
            XSDataMatrixDoubleU.setM31(listOfListOfFloat[6][0])
            XSDataMatrixDoubleU.setM32(listOfListOfFloat[6][1])
            XSDataMatrixDoubleU.setM33(listOfListOfFloat[6][2])
            xsDataMOSFLMNewmat.setUMatrix(XSDataMatrixDoubleU)

            xsDataCellRefined = XSDataCell()
            xsDataCellRefined.setLength_a(XSDataLength(
                listOfListOfFloat[7][0]))
            xsDataCellRefined.setLength_b(XSDataLength(
                listOfListOfFloat[7][1]))
            xsDataCellRefined.setLength_c(XSDataLength(
                listOfListOfFloat[7][2]))
            xsDataCellRefined.setAngle_alpha(
                XSDataAngle(listOfListOfFloat[7][3]))
            xsDataCellRefined.setAngle_beta(
                XSDataAngle(listOfListOfFloat[7][4]))
            xsDataCellRefined.setAngle_gamma(
                XSDataAngle(listOfListOfFloat[7][5]))
            xsDataMOSFLMNewmat.setRefinedCell(xsDataCellRefined)

        return xsDataMOSFLMNewmat
    def generateXSDataMOSFLMInputGeneratePrediction(xsDataGeneratePredictionInput):
        """
        Translation from XSDataGeneratePredictionInput to XSDataMOSFLMInputGeneratePrediction.
        """
        EDVerbose.DEBUG("EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputGeneratePrediction")
        EDFactoryPluginStatic.loadModule("XSDataMOSFLMv10")
        from XSDataMOSFLMv10 import XSDataMOSFLMBeamPosition
        from XSDataMOSFLMv10 import XSDataMOSFLMImage
        from XSDataMOSFLMv10 import XSDataMOSFLMNewmat
        from XSDataMOSFLMv10 import XSDataMOSFLMMissettingsAngles
        from XSDataMOSFLMv10 import XSDataMOSFLMInputGeneratePrediction

        xsDataIndexingSolutionSelected = xsDataGeneratePredictionInput.getSelectedIndexingSolution()

        xsDataCollection = xsDataGeneratePredictionInput.getDataCollection()
        xsDataSubWedge = xsDataCollection.getSubWedge()[0]
        xsDataImageList = xsDataSubWedge.getImage()
        xsDataImageFirst = xsDataImageList[0]

        xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
        xsDataOrientation = xsDataIndexingSolutionSelected.getOrientation()
        xsDataExperimentalCondition = xsDataIndexingSolutionSelected.getExperimentalConditionRefined()
        xsDataDetector = xsDataExperimentalCondition.getDetector()
        xsDataBeam = xsDataExperimentalCondition.getBeam()
        xsDataMatrixA = xsDataOrientation.getMatrixA()
        xsDataMatrixU = xsDataOrientation.getMatrixU()
        xsDataCell = xsDataCrystal.getCell()

        xsDataMOSFLMInputGeneratePrediction = XSDataMOSFLMInputGeneratePrediction()
        xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()
        xsDataMOSFLMNewmat.setRefinedCell(xsDataCell)
        xsDataMOSFLMNewmat.setAMatrix(xsDataMatrixA)
        xsDataMOSFLMNewmat.setUMatrix(xsDataMatrixU)
        xsDataMOSFLMInputGeneratePrediction.setMatrix(xsDataMOSFLMNewmat)

        xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
        xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(0.0))
        xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

        xsDataMOSFLMBeamPosition = XSDataMOSFLMBeamPosition()
        xsDataMOSFLMBeamPosition.setX(xsDataDetector.getBeamPositionX())
        xsDataMOSFLMBeamPosition.setY(xsDataDetector.getBeamPositionY())
        xsDataMOSFLMInputGeneratePrediction.setBeam(xsDataMOSFLMBeamPosition)

        xsDataMOSFLMInputGeneratePrediction.setMosaicity(xsDataCrystal.getMosaicity())
        xsDataMOSFLMInputGeneratePrediction.setSymmetry(xsDataCrystal.getSpaceGroup().getName())

        strPathFirst = xsDataImageFirst.getPath().getValue()
        strDirectoryFirst = os.path.dirname(strPathFirst)
        strFilenameFirst = os.path.basename(strPathFirst)

        xsDataMOSFLMInputGeneratePrediction.setWavelength(xsDataBeam.getWavelength())
        xsDataMOSFLMInputGeneratePrediction.setDistance(xsDataDetector.getDistance())
        xsDataMOSFLMInputGeneratePrediction.setDirectory(XSDataString(strDirectoryFirst))
        xsDataMOSFLMDetector = EDHandlerXSDataMOSFLMv10.getXSDataMOSFLMDetector(xsDataDetector)
        xsDataMOSFLMInputGeneratePrediction.setDetector(xsDataMOSFLMDetector)

        strMOSFLMTemplate = EDUtilsImage.getTemplate(strFilenameFirst, "#")
        xsDataMOSFLMInputGeneratePrediction.setTemplate(XSDataString(strMOSFLMTemplate))

        # The MOSFLM plugin can only handle one image 

        xsDataImage = xsDataSubWedge.getImage()[0]
        xsDataGoniostat = xsDataSubWedge.getExperimentalCondition().getGoniostat()

        xsDataMOSFLMImage = XSDataMOSFLMImage()

        iImageNumber = xsDataImage.getNumber().getValue()
        xsDataMOSFLMImage.setNumber(XSDataInteger(iImageNumber))

        fOscillationStart = xsDataGoniostat.getRotationAxisStart().getValue()
        fOscillationRange = xsDataGoniostat.getOscillationWidth().getValue()
        xsDataMOSFLMImage.setRotationAxisStart(XSDataAngle(fOscillationStart))
        xsDataMOSFLMImage.setRotationAxisEnd(XSDataAngle(fOscillationStart + fOscillationRange))

        xsDataMOSFLMInputGeneratePrediction.setImage(xsDataMOSFLMImage)

        return xsDataMOSFLMInputGeneratePrediction
Пример #7
0
    def generateXSDataMOSFLMInputIntegration(_xsDataIntegrationInput):
        """
        Translation from XSDataIntegrationInput to XSDataMOSFLMInputIntegration.
        """
        EDVerbose.DEBUG(
            "EDHandlerXSDataMOSFLMv10.generateXSDataMOSFLMInputIntegration")
        EDFactoryPluginStatic.loadModule("XSDataMOSFLMv10")
        from XSDataMOSFLMv10 import XSDataMOSFLMBeamPosition
        from XSDataMOSFLMv10 import XSDataMOSFLMInputIntegration
        from XSDataMOSFLMv10 import XSDataMOSFLMNewmat
        from XSDataMOSFLMv10 import XSDataMOSFLMMissettingsAngles
        xsDataCrystalRefined = _xsDataIntegrationInput.getCrystalRefined()
        xsDataIndexingSolutionSelected = _xsDataIntegrationInput.getSelectedIndexingSolution(
        )

        if (xsDataCrystalRefined is None):
            xsDataCrystalRefined = xsDataIndexingSolutionSelected.getCrystal()

        xsDataCollection = _xsDataIntegrationInput.getDataCollection()
        xsDataSubWedge = xsDataCollection.getSubWedge()[0]
        xsDataImageList = xsDataSubWedge.getImage()
        xsDataImageFirst = xsDataImageList[0]
        xsDataGoniostat = xsDataSubWedge.getExperimentalCondition(
        ).getGoniostat()

        xsDataCrystal = xsDataIndexingSolutionSelected.getCrystal()
        xsDataOrientation = xsDataIndexingSolutionSelected.getOrientation()
        xsDataExperimentalCondition = xsDataIndexingSolutionSelected.getExperimentalConditionRefined(
        )
        xsDataDetector = xsDataExperimentalCondition.getDetector()
        xsDataBeam = xsDataExperimentalCondition.getBeam()
        xsDataMatrixA = xsDataOrientation.getMatrixA()
        xsDataMatrixU = xsDataOrientation.getMatrixU()
        xsDataCell = xsDataCrystal.getCell()

        xsDataMOSFLMInputIntegration = XSDataMOSFLMInputIntegration()
        xsDataMOSFLMNewmat = XSDataMOSFLMNewmat()
        xsDataMOSFLMNewmat.setRefinedCell(xsDataCell)
        xsDataMOSFLMNewmat.setAMatrix(xsDataMatrixA)
        xsDataMOSFLMNewmat.setUMatrix(xsDataMatrixU)
        xsDataMOSFLMInputIntegration.setMatrix(xsDataMOSFLMNewmat)

        xsDataMOSFLMMissettingsAngles = XSDataMOSFLMMissettingsAngles()
        xsDataMOSFLMMissettingsAngles.setPhix(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiy(XSDataAngle(0.0))
        xsDataMOSFLMMissettingsAngles.setPhiz(XSDataAngle(0.0))
        xsDataMOSFLMNewmat.setMissettingAngles(xsDataMOSFLMMissettingsAngles)

        xsDataMOSFLMBeamPosition = XSDataMOSFLMBeamPosition()
        xsDataMOSFLMBeamPosition.setX(xsDataDetector.getBeamPositionX())
        xsDataMOSFLMBeamPosition.setY(xsDataDetector.getBeamPositionY())
        xsDataMOSFLMInputIntegration.setBeam(xsDataMOSFLMBeamPosition)

        xsDataMOSFLMInputIntegration.setMosaicity(xsDataCrystal.getMosaicity())
        xsDataMOSFLMInputIntegration.setSymmetry(
            xsDataCrystal.getSpaceGroup().getName())

        strPathFirst = xsDataImageFirst.getPath().getValue()
        strDirectoryFirst = os.path.dirname(strPathFirst)
        strFilenameFirst = os.path.basename(strPathFirst)
        fOscillationRange = xsDataGoniostat.getOscillationWidth().getValue()

        xsDataMOSFLMInputIntegration.setWavelength(xsDataBeam.getWavelength())
        xsDataMOSFLMInputIntegration.setDistance(xsDataDetector.getDistance())
        xsDataMOSFLMInputIntegration.setDirectory(
            XSDataString(strDirectoryFirst))
        xsDataMOSFLMInputIntegration.setOscillationWidth(
            XSDataAngle(fOscillationRange))
        xsDataMOSFLMDetector = EDHandlerXSDataMOSFLMv10.getXSDataMOSFLMDetector(
            xsDataDetector)
        xsDataMOSFLMInputIntegration.setDetector(xsDataMOSFLMDetector)

        strMOSFLMTemplate = EDUtilsImage.getTemplate(strFilenameFirst, "#")
        xsDataMOSFLMInputIntegration.setTemplate(
            XSDataString(strMOSFLMTemplate))

        iImageStart = None
        iImageEnd = None
        for xsDataImage in xsDataImageList:
            iImageNumber = xsDataImage.getNumber().getValue()
            if (iImageStart is None):
                iImageStart = iImageNumber
            elif (iImageStart > iImageNumber):
                iImageStart = iImageNumber
            if (iImageEnd is None):
                iImageEnd = iImageNumber
            elif (iImageEnd < iImageNumber):
                iImageEnd = iImageNumber

        xsDataMOSFLMInputIntegration.setImageStart(XSDataInteger(iImageStart))
        xsDataMOSFLMInputIntegration.setImageEnd(XSDataInteger(iImageEnd))
        xsDataMOSFLMInputIntegration.setRotationAxisStart(
            xsDataGoniostat.getRotationAxisStart())

        # print xsDataMOSFLMInputIntegration.marshal()

        return xsDataMOSFLMInputIntegration