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refs #7105 ported to the new API.
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@OwenArnold
OwenArnold committed May 15, 2013
1 parent 8a80dec commit aaa3b39
Showing 1 changed file with 40 additions and 37 deletions.
77 changes: 40 additions & 37 deletions Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSSingleCrystalReduction.py
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Original file line number Diff line number Diff line change
Expand Up @@ -4,8 +4,9 @@
*WIKI*"""

from MantidFramework import *
from mantidsimple import *
from mantid.kernel import *
from mantid.api import *
from mantid.simpleapi import *
import os

COMPRESS_TOL_TOF = .01
Expand All @@ -20,34 +21,36 @@ def name(self):

def PyInit(self):
instruments = ["TOPAZ"]
greaterThanZero = IntArrayBoundedValidator()
greaterThanZero.setLower(0)
self.declareProperty("Instrument", "TOPAZ",
Validator=ListValidator(instruments))
self.declareListProperty("SampleNumbers", [0], Validator=ArrayBoundedValidator(Lower=0))
self.declareProperty("BackgroundNumber", 0, Validator=BoundedValidator(Lower=0),
Description="If specified overrides value in CharacterizationRunsFile")
self.declareProperty("VanadiumNumber", 0, Validator=BoundedValidator(Lower=0),
Description="If specified overrides value in CharacterizationRunsFile")
self.declareListProperty("Binning", [0.,0.,0.],
Description="Positive is linear bins, negative is logorithmic")
self.declareProperty("SubtractBackgroundFromSample", False, Description="Subtract background from sample. Background always subtracted from vanadium if specified.")
self.declareProperty("DivideSamplebyIntegratedVanadium", False, Description="Divide sample by integrated vanadium.")
self.declareProperty("LinearScatteringCoef", 0.0, Description="Linear Scattering Coefficient for Anvred correction of sample.")
self.declareProperty("LinearAbsorptionCoef", 0.0, Description="Linear Absorption Coefficient for Anvred correction of sample.")
self.declareProperty("Radius", 0.0, Description="Radius of sphere for Anvred correction of sample. Set to 0 for no Anvred corrections")
self.declareProperty("PowerLambda", 4.0, Description="Power of wavelength for Anvred correction of sample.")
self.declareProperty("VanadiumRadius", 0.0, Description="Radius of sphere for Anvred correction of vanadium. Set to 0 for no Anvred corrections")
self.declareProperty("MinimumdSpacing", 0.5, Description="Minimum d-spacing. Default is 0.5")
self.declareProperty("MinimumWavelength", 0.6, Description="Minimum Wavelength. Default is 0.6")
self.declareProperty("MaximumWavelength", 3.5, Description="Maximum Wavelength. Default is 3.5")
self.declareProperty("ScaleFactor", 0.01, Description="Multiply FSQ and sig(FSQ) by ScaleFactor. Default is 0.01")
self.declareProperty("EdgePixels", 24, Description="Number of edge pixels to ignore. Default is 24")
self.declareListProperty("LatticeParameters", [4.7582,4.7582,12.9972,90.0,90.0,120.0],
Description="a,b,c,alpha,beta,gamma (Default is Sapphire Lattice Parameters)")
self.declareFileProperty("IsawDetCalFile", "", FileAction.OptionalLoad, ['.DetCal'], Description="Isaw style file of location of detectors.")
validator=StringListValidator(instruments))
self.declareProperty(IntArrayProperty("SampleNumbers", values=[0], direction=Direction.Input, validator=greaterThanZero))
self.declareProperty("BackgroundNumber", 0, validator=greaterThanZero,
doc="If specified overrides value in CharacterizationRunsFile", direction=Direction.Input)
self.declareProperty("VanadiumNumber", 0, validator=greaterThanZero,
doc="If specified overrides value in CharacterizationRunsFile")
self.declareProperty(FloatArrayProperty("Binning", values=[0.,0.,0.]),
doc="Positive is linear bins, negative is logorithmic")
self.declareProperty("SubtractBackgroundFromSample", False, doc="Subtract background from sample. Background always subtracted from vanadium if specified.")
self.declareProperty("DivideSamplebyIntegratedVanadium", False, doc="Divide sample by integrated vanadium.")
self.declareProperty("LinearScatteringCoef", 0.0, doc="Linear Scattering Coefficient for Anvred correction of sample.")
self.declareProperty("LinearAbsorptionCoef", 0.0, doc="Linear Absorption Coefficient for Anvred correction of sample.")
self.declareProperty("Radius", 0.0, doc="Radius of sphere for Anvred correction of sample. Set to 0 for no Anvred corrections")
self.declareProperty("PowerLambda", 4.0, doc="Power of wavelength for Anvred correction of sample.")
self.declareProperty("VanadiumRadius", 0.0, doc="Radius of sphere for Anvred correction of vanadium. Set to 0 for no Anvred corrections")
self.declareProperty("MinimumdSpacing", 0.5, doc="Minimum d-spacing. Default is 0.5")
self.declareProperty("MinimumWavelength", 0.6, doc="Minimum Wavelength. Default is 0.6")
self.declareProperty("MaximumWavelength", 3.5, doc="Maximum Wavelength. Default is 3.5")
self.declareProperty("ScaleFactor", 0.01, doc="Multiply FSQ and sig(FSQ) by ScaleFactor. Default is 0.01")
self.declareProperty("EdgePixels", 24, doc="Number of edge pixels to ignore. Default is 24")
self.declareProperty(FloatArrayProperty("LatticeParameters", values=[4.7582,4.7582,12.9972,90.0,90.0,120.0]),
doc="a,b,c,alpha,beta,gamma (Default is Sapphire Lattice Parameters)")
self.declareProperty(FileProperty("IsawDetCalFile", "", FileAction.OptionalLoad, ['.DetCal']), doc="Isaw style file of location of detectors.")
outfiletypes = ['', 'hkl']
self.declareProperty("SaveAs", "hkl", ListValidator(outfiletypes))
self.declareFileProperty("OutputFile", "", FileAction.OptionalLoad, outfiletypes, Description="Name of output file to write/append.")
self.declareProperty("AppendHKLFile", False, Description="Append existing hkl file")
self.declareProperty("SaveAs", "hkl", StringListValidator(outfiletypes))
self.declareProperty(FileProperty("OutputFile", "", FileAction.OptionalLoad, outfiletypes), doc="Name of output file to write/append.")
self.declareProperty("AppendHKLFile", False, doc="Append existing hkl file")

def _loadNeXusData(self, filename, name, bank, extension, **kwargs):
alg = LoadEventNexus(Filename=filename, OutputWorkspace=name, BankName=bank, SingleBankPixelsOnly=1, FilterByTofMin=self._binning[0], FilterByTofMax=self._binning[2], LoadMonitors=True, MonitorsAsEvents=True, **kwargs)
Expand All @@ -57,7 +60,7 @@ def _loadNeXusData(self, filename, name, bank, extension, **kwargs):
#Normalise by sum of counts in upstream monitor
NormaliseToMonitor(InputWorkspace=wksp,OutputWorkspace=wksp,MonitorWorkspace=mtd[str(name)+'_monitors'],IntegrationRangeMin=self._binning[0],IntegrationRangeMax=self._binning[2])
wksp *= 1e8
mtd.deleteWorkspace(str(name)+'_monitors')
DeleteWorkspace(str(name)+'_monitors')
mtd.releaseFreeMemory()
# take care of filtering events
if self._filterBadPulses:
Expand Down Expand Up @@ -95,7 +98,7 @@ def _focus(self, wksp, bank):
SortEvents(InputWorkspace=wksp, SortBy="X Value")
DiffractionFocussing(InputWorkspace=wksp, OutputWorkspace=wksp,
GroupingWorkspace=str(wksp)+"group")
mtd.deleteWorkspace(str(wksp)+"group")
DeleteWorkspace(str(wksp)+"group")
mtd.releaseFreeMemory()
SortEvents(InputWorkspace=wksp, SortBy="X Value")
ConvertUnits(InputWorkspace=wksp, OutputWorkspace=wksp, Target="TOF")
Expand Down Expand Up @@ -131,7 +134,7 @@ def _save(self, wksp, normalized):
IntegratePeaksMD(InputWorkspace=wkspMD,PeakRadius='0.12',ReplaceIntensity=False,
BackgroundOuterRadius='0.18',BackgroundInnerRadius='0.15',
PeaksWorkspace=peaksWS,OutputWorkspace=peaksWS)
mtd.deleteWorkspace('MD2')
DeleteWorkspace('MD2')

def PyExec(self):
# get generic information
Expand Down Expand Up @@ -188,7 +191,7 @@ def PyExec(self):
FindDetectorsOutsideLimits(vanI, "VanMask", LowThreshold=1.0e-300, HighThreshold=1.0e+300)
maskWS = mtd["VanMask"]
MaskDetectors(vanI, MaskedWorkspace=maskWS)
mtd.deleteWorkspace('VanMask')
DeleteWorkspace('VanMask')
mtd.releaseFreeMemory()
# process the background
bkgRun = self.getProperty("BackgroundNumber")
Expand All @@ -202,7 +205,7 @@ def PyExec(self):
bkgRun = None
if bkgRun is not None:
Minus(LHSWorkspace=vanRun, RHSWorkspace=bkgRun, OutputWorkspace=vanRun, ClearRHSWorkspace=True)
mtd.deleteWorkspace(str(bkgRun))
DeleteWorkspace(str(bkgRun))
mtd.releaseFreeMemory()
CompressEvents(InputWorkspace=vanRun, OutputWorkspace=vanRun, Tolerance=COMPRESS_TOL_TOF) # 10ns

Expand Down Expand Up @@ -243,7 +246,7 @@ def PyExec(self):

if bkgRun is not None:
Minus(LHSWorkspace=samRun, RHSWorkspace=bkgRun, OutputWorkspace=samRun, ClearRHSWorkspace=True)
mtd.deleteWorkspace(str(bkgRun))
DeleteWorkspace(str(bkgRun))
mtd.releaseFreeMemory()
CompressEvents(InputWorkspace=samRun, OutputWorkspace=samRun, Tolerance=COMPRESS_TOL_TOF) # 10ns

Expand All @@ -267,7 +270,7 @@ def PyExec(self):
mtd.releaseFreeMemory()
self._save(samRun, normalized)
if self._outTypes is not '':
mtd.deleteWorkspace(str(samRun))
DeleteWorkspace(str(samRun))
mtd.releaseFreeMemory()
peaksWS = mtd['Peaks']
try:
Expand Down Expand Up @@ -299,6 +302,6 @@ def PyExec(self):
MinDSpacing=self._minD,MinWavelength=self._minWL,MaxWavelength=self._maxWL,
Filename=self._outFile, AppendFile=self._append,InputWorkspace=peaksWS)
self._append = True
mtd.deleteWorkspace(str(peaksWS))
DeleteWorkspace(str(peaksWS))

mtd.registerPyAlgorithm(SNSSingleCrystalReduction())
AlgorithmFactory.subscribe(SNSSingleCrystalReduction())

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