Python EnggUtils.default_ceria_expected_peaks方法代码示例

# 需要导入模块: import EnggUtils [as 别名]
# 或者: from EnggUtils import default_ceria_expected_peaks [as 别名]
    def _get_default_peaks(self):
        """
        Gets default peaks for Engg algorithms. Values from CeO2
        """
        import EnggUtils

        return EnggUtils.default_ceria_expected_peaks()

# 需要导入模块: import EnggUtils [as 别名]
# 或者: from EnggUtils import default_ceria_expected_peaks [as 别名]
    def PyInit(self):
        self.declareProperty(
            MatrixWorkspaceProperty("InputWorkspace", "", Direction.Input),
            doc="Workspace with the calibration run to use.",
        )

        import EnggUtils

        self.declareProperty(
            FloatArrayProperty(
                "ExpectedPeaks", values=EnggUtils.default_ceria_expected_peaks(), direction=Direction.Input
            ),
            doc="A list of dSpacing values where peaks are expected.",
        )

        self.declareProperty(
            FileProperty(
                name="ExpectedPeaksFromFile", defaultValue="", action=FileAction.OptionalLoad, extensions=[".csv"]
            ),
            doc="Load from file a list of dSpacing values to be translated into TOF to "
            "find expected peaks. This takes precedence over 'ExpectedPeaks' if both "
            "options are given.",
        )

        peaks_grp = "Peaks to fit"
        self.setPropertyGroup("ExpectedPeaks", peaks_grp)
        self.setPropertyGroup("ExpectedPeaksFromFile", peaks_grp)

        self.declareProperty(
            MatrixWorkspaceProperty("VanadiumWorkspace", "", Direction.Input, PropertyMode.Optional),
            doc="Workspace with the Vanadium (correction and calibration) run. "
            "Alternatively, when the Vanadium run has been already processed, "
            "the properties can be used",
        )

        self.declareProperty(
            ITableWorkspaceProperty("VanIntegrationWorkspace", "", Direction.Input, PropertyMode.Optional),
            doc="Results of integrating the spectra of a Vanadium run, with one column "
            "(integration result) and one row per spectrum. This can be used in "
            "combination with OutVanadiumCurveFits from a previous execution and "
            "VanadiumWorkspace to provide pre-calculated values for Vanadium correction.",
        )

        self.declareProperty(
            MatrixWorkspaceProperty("VanCurvesWorkspace", "", Direction.Input, PropertyMode.Optional),
            doc="A workspace2D with the fitting workspaces corresponding to "
            "the instrument banks. This workspace has three spectra per bank, as produced "
            "by the algorithm Fit. This is meant to be used as an alternative input "
            "VanadiumWorkspace for testing and performance reasons. If not given, no "
            "workspace is generated.",
        )

        vana_grp = "Vanadium (open beam) properties"
        self.setPropertyGroup("VanadiumWorkspace", vana_grp)
        self.setPropertyGroup("VanIntegrationWorkspace", vana_grp)
        self.setPropertyGroup("VanCurvesWorkspace", vana_grp)

        self.declareProperty(
            "Bank",
            "",
            StringListValidator(EnggUtils.ENGINX_BANKS),
            direction=Direction.Input,
            doc="Which bank to calibrate. It can be specified as 1 or 2, or "
            "equivalently, North or South. See also " + self.INDICES_PROP_NAME + " "
            "for a more flexible alternative to select specific detectors",
        )

        self.declareProperty(
            self.INDICES_PROP_NAME,
            "",
            direction=Direction.Input,
            doc="Sets the spectrum numbers for the detectors "
            "that should be considered in the calibration (all others will be "
            "ignored). This option cannot be used together with Bank, as they overlap. "
            'You can give multiple ranges, for example: "0-99", or "0-9, 50-59, 100-109".',
        )

        banks_grp = "Banks / spectra"
        self.setPropertyGroup("Bank", banks_grp)
        self.setPropertyGroup(self.INDICES_PROP_NAME, banks_grp)

        self.declareProperty(
            ITableWorkspaceProperty("DetectorPositions", "", Direction.Input, PropertyMode.Optional),
            "Calibrated detector positions. If not specified, default ones (from the "
            "current instrument definition) are used.",
        )

        self.declareProperty(
            "OutputParametersTableName",
            "",
            direction=Direction.Input,
            doc="Name for a table workspace with the calibration parameters calculated "
            "from this algorithm: difc and zero parameters for GSAS. these two parameters "
            "are added as two columns in a single row. If not given, no table is "
            "generated.",
        )

        self.declareProperty(
            "Difc",
            0.0,
#.........这里部分代码省略.........

# 需要导入模块: import EnggUtils [as 别名]
# 或者: from EnggUtils import default_ceria_expected_peaks [as 别名]
    def PyInit(self):
        self.declareProperty(MatrixWorkspaceProperty("Workspace", "", Direction.InOut),
                             "Workspace with the calibration run to use. The calibration will be applied on it.")


        self.declareProperty(MatrixWorkspaceProperty("VanadiumWorkspace", "", Direction.Input,
                                                     PropertyMode.Optional),
                             "Workspace with the Vanadium (correction and calibration) run.")

        self.declareProperty(ITableWorkspaceProperty('VanIntegrationWorkspace', '',
                                                     Direction.Input, PropertyMode.Optional),
                             doc = 'Results of integrating the spectra of a Vanadium run, with one column '
                             '(integration result) and one row per spectrum. This can be used in '
                             'combination with OutVanadiumCurveFits from a previous execution and '
                             'VanadiumWorkspace to provide pre-calculated values for Vanadium correction.')

        self.declareProperty(MatrixWorkspaceProperty('VanCurvesWorkspace', '', Direction.Input,
                                                     PropertyMode.Optional),
                             doc = 'A workspace2D with the fitting workspaces corresponding to '
                             'the instrument banks. This workspace has three spectra per bank, as produced '
                             'by the algorithm Fit. This is meant to be used as an alternative input '
                             'VanadiumWorkspace for testing and performance reasons. If not given, no '
                             'workspace is generated.')

        vana_grp = 'Vanadium (open beam) properties'
        self.setPropertyGroup('VanadiumWorkspace', vana_grp)
        self.setPropertyGroup('VanIntegrationWorkspace', vana_grp)
        self.setPropertyGroup('VanCurvesWorkspace', vana_grp)

        self.declareProperty(ITableWorkspaceProperty("OutDetPosTable", "", Direction.Output),\
                             doc="A table with the detector IDs and calibrated detector positions and "
                             "additional calibration information. The table includes: the old positions "
                             "in V3D format (3D vector with x, y, z values), the new positions in V3D, the "
                             "new positions in spherical coordinates, the change in L2, and the DIFC and "
                             "ZERO parameters.")

        self.declareProperty("Bank", '', StringListValidator(EnggUtils.ENGINX_BANKS),
                             direction=Direction.Input,
                             doc = "Which bank to calibrate: It can be specified as 1 or 2, or "
                             "equivalently, North or South. See also " + self.INDICES_PROP_NAME + " "
                             "for a more flexible alternative to select specific detectors")

        self.declareProperty(self.INDICES_PROP_NAME, '', direction=Direction.Input,
                             doc = 'Sets the spectrum numbers for the detectors '
                             'that should be considered in the calibration (all others will be '
                             'ignored). This option cannot be used together with Bank, as they overlap. '
                             'You can give multiple ranges, for example: "0-99", or "0-9, 50-59, 100-109".')

        banks_grp = 'Banks / spectra'
        self.setPropertyGroup('Bank', banks_grp)
        self.setPropertyGroup(self.INDICES_PROP_NAME, banks_grp)

        self.declareProperty(FileProperty("OutDetPosFilename", "", FileAction.OptionalSave, [".csv"]),
                             doc="Name of the file to save the pre-/post-calibrated detector positions - this "
                             "saves the same information that is provided in the output table workspace "
                             "(OutDetPosTable).")

        opt_outs_grp = 'Optional outputs'
        self.setPropertyGroup('OutDetPosFilename', opt_outs_grp)

        self.declareProperty(FloatArrayProperty("ExpectedPeaks",
                                                values=EnggUtils.default_ceria_expected_peaks(),
                                                direction=Direction.Input),
                             doc="A list of dSpacing values where peaks are expected.")

        self.declareProperty(FileProperty(name="ExpectedPeaksFromFile",defaultValue="",
                                          action=FileAction.OptionalLoad,extensions = [".csv"]),
                             doc="Load from file a list of dSpacing values to be translated into TOF to "
                             "find expected peaks. This takes precedence over 'ExpectedPeaks' if both "
                             "options are given.")

        peaks_grp = 'Peaks to fit'
        self.setPropertyGroup('ExpectedPeaks', peaks_grp)
        self.setPropertyGroup('ExpectedPeaksFromFile', peaks_grp)