def _get_default_peaks(self):
"""
Gets default peaks for Engg algorithms. Values from CeO2
"""
import EnggUtils
return EnggUtils.default_ceria_expected_peaks()
def _get_default_peaks(self):
"""
Gets default peaks for Engg algorithms. Values from CeO2
"""
import EnggUtils
return EnggUtils.default_ceria_expected_peaks()
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(
"DIFA",
0.0,
direction=Direction.Output,
doc=
"Calibration parameter DIFA for the bank or range of pixels/detectors given"
)
self.declareProperty(
"DIFC",
0.0,
direction=Direction.Output,
doc=
"Calibration parameter DIFC for the bank or range of pixels/detectors given"
)
self.declareProperty(
"TZERO",
0.0,
direction=Direction.Output,
doc=
"Calibration parameter TZERO for the bank or range of pixels/detectors given"
)
self.declareProperty(
ITableWorkspaceProperty("FittedPeaks", "", Direction.Output),
doc=
"Information on fitted peaks as produced by the (child) algorithm EnggFitPeaks."
)
out_grp = 'Outputs'
self.setPropertyGroup('DetectorPositions', out_grp)
self.setPropertyGroup('OutputParametersTableName', out_grp)
self.setPropertyGroup('DIFA', out_grp)
self.setPropertyGroup('DIFC', out_grp)
self.setPropertyGroup('TZERO', out_grp)
self.setPropertyGroup('FittedPeaks', out_grp)
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,
direction=Direction.Output,
doc="Calibrated Difc value for the bank or range of pixels/detectors given",
)
self.declareProperty(
"Zero",
0.0,
direction=Direction.Output,
doc="Calibrated Zero value for the bank or range of pixels/detectors given",
)
self.declareProperty(
ITableWorkspaceProperty("FittedPeaks", "", Direction.Output),
doc="Information on fitted peaks as produced by the (child) algorithm " "EnggFitPeaks.",
)
out_grp = "Outputs"
self.setPropertyGroup("DetectorPositions", out_grp)
self.setPropertyGroup("OutputParametersTableName", out_grp)
self.setPropertyGroup("Difc", out_grp)
self.setPropertyGroup("Zero", out_grp)
self.setPropertyGroup("FittedPeaks", out_grp)
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)
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 DIFA, "
"DIFC and TZERO calibration parameters.")
self.declareProperty(ITableWorkspaceProperty("FittedPeaks", "", Direction.Output),
doc="Information on fitted peaks. The table has one row per calibrated "
"detector contains. In each row, the parameters of all the peaks fitted "
"are specified together with the the expected peak value (in d-spacing). "
"The expected values are given in the field labelled 'dSpacing'. When "
"fitting back-to-back exponential functions, the 'X0' column has the fitted "
"peak center.")
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).")
# The default value of '-0.0005' is borrowed from OG routines
self.declareProperty('RebinBinWidth', defaultValue='-0.0005', direction=Direction.Input,
doc="Before calculating the calibrated positions (fitting peaks) this algorithms "
"re-bins the input sample data using a single bin width parameter. This option is"
"to change the default bin width which is set to the value traditionally used for "
"the Engin-X instrument")
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)