MaskWorkspaceToCalFile.py

# Mantid Repository : https://github.com/mantidproject/mantid
#
# Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
#   NScD Oak Ridge National Laboratory, European Spallation Source,
#   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
# SPDX - License - Identifier: GPL - 3.0 +
#pylint: disable=invalid-name, no-init
from mantid.kernel import *
from mantid.api import *
from mantid.simpleapi import *

#pylint: disable=too-few-public-methods


class QueryFlag(object):
    def isMasked(self, specInfo, index, dummy_yValue):
        return specInfo.isMasked(index)

#pylint: disable=too-few-public-methods


class QueryValue(object):
    def isMasked(self, dummy_specInfo, dummy_index, yValue):
        return yValue == 1


class MaskWorkspaceToCalFile(PythonAlgorithm):

    def category(self):
        return "DataHandling\\Text;Diffraction\\DataHandling;Diffraction\\Masking"

    def seeAlso(self):
        return [ "ReadGroupsFromFile","CreateDummyCalFile","CreateCalFileByNames",
                 "AlignDetectors","DiffractionFocussing","LoadCalFile","SaveCalFile","MergeCalFiles" ]

    def name(self):
        return "MaskWorkspaceToCalFile"

    def summary(self):
        return "Saves the masking information in a workspace to a Cal File."

    def PyInit(self):
        self.declareProperty(MatrixWorkspaceProperty("InputWorkspace", "", Direction.Input),
                             "The workspace containing the Masking to extract.")
        self.declareProperty(FileProperty(name="OutputFile",defaultValue="",
                                          action=FileAction.Save,extensions=['cal']), "The file for the results.")

        self.declareProperty("Invert", False, "If True, masking is inverted in the input workspace. Default: False")

    def PyExec(self):
        #extract settings
        inputWorkspace = mtd[self.getPropertyValue("InputWorkspace")]
        outputFileName = self.getProperty("OutputFile").value
        invert = self.getProperty("Invert").value
        mask_query = QueryFlag()
        if inputWorkspace.id() == "MaskWorkspace":
            mask_query = QueryValue()

        #check for consistency
        if len(inputWorkspace.readX(0)) < 1:
            raise RuntimeError('The input workspace is empty.')

        #define flags for masking and not-masking
        masking_flag = 0
        not_masking_flag = 1

        if invert:
            masking_flag, not_masking_flag = not_masking_flag, masking_flag

        calFile = open(outputFileName,"w")
        #write a header
        instrumentName = inputWorkspace.getInstrument().getName()
        calFile.write('# '+instrumentName+' detector file\n')
        calFile.write('# Format: number      UDET       offset       select    group\n')
        #save the grouping
        specInfo = inputWorkspace.spectrumInfo()
        for i in range(inputWorkspace.getNumberHistograms()):
            try:
                det = inputWorkspace.getDetector(i)
                y_value = inputWorkspace.readY(i)[0]
                if mask_query.isMasked(specInfo, i, y_value): #check if masked
                    group = masking_flag
                else:
                    group = not_masking_flag
                detIDs = []
                try:
                    detIDs = det.getDetectorIDs()
                except AttributeError:
                    detIDs = [det.getID()]
                for did in detIDs:
                    calFile.write(self.FormatLine(i,did,0.0,group,group))
            except RuntimeError:
                # no detector for this spectra
                pass
        calFile.close()

    #pylint: disable=too-many-arguments
    def FormatLine(self,number,UDET,offset,select,group):
        line = "{0:9d}{1:16d}{2:16.7f}{3:9d}{4:9d}\n".format(number,UDET,offset,select,group)
        return line

#############################################################################################


AlgorithmFactory.subscribe(MaskWorkspaceToCalFile())