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Re #8675. First working version without the inner classes.
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@peterfpeterson
peterfpeterson committed Mar 24, 2014
1 parent 5980b92 commit 8be3358
Showing 1 changed file with 41 additions and 203 deletions.
244 changes: 41 additions & 203 deletions Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
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Expand Up @@ -28,159 +28,6 @@
EVENT_WORKSPACE_ID = "EventWorkspace"

class SNSPowderReduction(PythonAlgorithm):
class PDConfigFile(object):
class PDInfo:
"""Inner class for holding configuration information for a reduction."""
def __init__(self, data, has_dspace=False, has_vnoise=False):
if data is None:
data = [None, None, 1, 0, 0, 0., 0.]
self.freq = data[0]
self.wl = data[1]
self.bank = int(data[2])
self.van = int(data[3])
self.can = int(data[4])
self.vnoise = 0 # default value
self.has_dspace = has_dspace
self.tmin = 0. # default value
self.tmax = 0. # default value
self.dmin = 0. # default value
self.dmax = 0. # default value

# calculate the remaining indices
offset = 5
if has_vnoise:
self.vnoise = int(data[offset])
offset += 1

if has_dspace:
self.dmin = data[offset]
self.dmax = data[offset+1]
offset += 2
if len(data) > offset:
self.tmin = data[offset]
if len(data) > offset+1:
self.tmax = data[offset+1]

def __init__(self, filename):
if len(filename.strip()) <= 0:
filename = None
self.filename = filename
self._data = {}
self.use_dspace = False
self._use_vnoise = False
self._focusPos = {}
self.iparmFile = None
if self.filename is None:
return
handle = file(filename, 'r')
lines = handle.readlines()
handle.close()

# create the focus positions
(lines, self._focusPos) = self._generateFocusPos(lines)
if len(lines) == 0:
self.filename = None
return

# get the rest of the characterization information
for line in lines:
self._addData(line)

def _generateFocusPos(self, lines):
if not lines[0].startswith("Instrument parameter file:"):
return (lines, {})

result = {}

# get name of parameter file
temp = lines[0]
temp = temp.replace("Instrument parameter file:", "")
self.iparmFile = temp.strip()
if len(self.iparmFile) <= 0:
self.iparmFile = None
lines = lines[1:] # delete this line

# get the spectra into a buffer
spectrainfo = []
for line in lines:
if line.startswith("L1"):
break
spectrainfo.append(line)
numSpectra = len(spectrainfo)

result['PrimaryFlightPath'] = lines[numSpectra].split()[1]

# delete the rest of the focus position info
lines = lines[numSpectra+1:]

# parse the focus positions
specids = []
l2 = []
polar = []
azimuthal = []
for spec in spectrainfo:
temp = spec.split()
specids.append(int(temp[0]))
l2.append(float(temp[1]))
polar.append(float(temp[2]))
azimuthal.append(0.)

# assign to the correct place
result['SpectrumIDs'] = specids
result['L2'] = l2
result['Polar'] = polar
result['Azimuthal'] = azimuthal

return (lines, result)

def _addData(self, line):
if line.startswith('#') or len(line.strip()) <= 0:
if "d_min" in line and "d_max" in line:
self.use_dspace = True
if "vanadium_back" in line:
self._use_vnoise = True
return
data = line.strip().split()
for i in range(len(data)):
if ',' in data[i]:
temp = data[i].split(',')
temp = [float(item) for item in temp]
data[i] = temp
else:
data[i] = float(data[i])
if data[0] not in self._data.keys():
self._data[data[0]]={}
info = self.PDInfo(data, self.use_dspace, self._use_vnoise)
self._data[info.freq][info.wl]=info
def __getFrequency(self, request):
for freq in self._data.keys():
if abs(float(freq)-request) == 0.:
return freq
if 100. * abs(float(freq)-request)/request < 5.:
return freq
raise RuntimeError("Failed to find frequency: %fHz" % request)

def __getWavelength(self, frequency, request):
for wavelength in self._data[frequency].keys():
if 100. * abs(wavelength-request)/request < 5.:
return wavelength
raise RuntimeError("Failed to find wavelength: %fAngstrom" % request)

def getInfo(self, frequency, wavelength):
if self.filename is not None:
if frequency is None:
raise RuntimeError("Unable to determine frequency from data")
if wavelength is None:
raise RuntimeError("Unable to determine wavelength from data")
frequency = self.__getFrequency(float(frequency))
wavelength = self.__getWavelength(frequency, float(wavelength))

return self._data[frequency][wavelength]
else:
return self.PDInfo(None)
def getFocusPos(self):
return self._focusPos

def category(self):
return "Diffraction;PythonAlgorithms"

Expand Down Expand Up @@ -264,7 +111,7 @@ def PyExec(self):
"""
# get generic information
SUFFIX = self.getProperty("Extension").value
self._config = self.PDConfigFile(self.getProperty("CharacterizationRunsFile").value)
self._loadCharacterizations(self.getProperty("CharacterizationRunsFile").value)
self._resampleX = self.getProperty("ResampleX").value
if self._resampleX != 0.:
self._binning = [0.]
Expand Down Expand Up @@ -318,7 +165,7 @@ def PyExec(self):
samwksplist = []

self._lowResTOFoffset = self.getProperty("LowResolutionSpectraOffset").value
focuspos = self._config.getFocusPos()
focuspos = self._focusPos
if self._lowResTOFoffset >= 0:
# Dealing with the parameters for editing instrument parameters
if focuspos.has_key("PrimaryFlightPath") is True:
Expand Down Expand Up @@ -428,7 +275,7 @@ def PyExec(self):
# process the container
canRun = self.getProperty("BackgroundNumber").value
if canRun == 0: # use the version in the info
canRun = self._info.can
canRun = self._info["container"]
elif canRun < 0: # turn off the correction
canRun = 0
if canRun > 0:
Expand All @@ -450,7 +297,7 @@ def PyExec(self):
vanRun = self.getProperty("VanadiumNumber").value
self.log().debug("F313A: Correction SamRun = %s, VanRun = %s of type %s" % (str(samRun), str(vanRun), str(type(vanRun))))
if vanRun == 0: # use the version in the info
vanRun = self._info.van
vanRun = self._info["vanadium"]
self.log().debug("F313B: Van Correction SamRun = %s, VanRun = %s" % (str(samRun), str(vanRun)))
elif vanRun < 0: # turn off the correction
vanRun = 0
Expand Down Expand Up @@ -505,7 +352,8 @@ def PyExec(self):
# focus the data
vanRun = api.AlignAndFocusPowder(InputWorkspace=vanRun, OutputWorkspace=vanRun, CalFileName=calib,
Params=self._binning, ResampleX=self._resampleX, Dspacing=self._bin_in_dspace,
DMin=self._info.dmin, DMax=self._info.dmax, TMin=self._info.tmin, TMax=self._info.tmax,
DMin=self._info["d_min"], DMax=self._info["d_max"],
TMin=self._info["tof_min"], TMax=self._info["tof_max"],
RemovePromptPulseWidth=self._removePromptPulseWidth, CompressTolerance=COMPRESS_TOL_TOF,
UnwrapRef=self._LRef, LowResRef=self._DIFCref, LowResSpectrumOffset=self._lowResTOFoffset,
CropWavelengthMin=self._wavelengthMin, **(focuspos))
Expand Down Expand Up @@ -576,6 +424,18 @@ def PyExec(self):

return

def _loadCharacterizations(self, filename):
results = api.PDLoadCharacterizations(Filename=filename,
OutputWorkspace="characterizations")
self._charTable = results[0]
self.iparmFile = results[1]
self._focusPos = {}
self._focusPos['PrimaryFlightPath'] = results[2]
self._focusPos['SpectrumIDs'] = results[3]
self._focusPos['L2'] = results[4]
self._focusPos['Polar'] = results[5]
self._focusPos['Azimuthal'] = results[6]

def _loadData(self, runnumber, extension, filterWall=None, outname=None, **chunk):
if runnumber is None or runnumber <= 0:
return None
Expand Down Expand Up @@ -775,11 +635,11 @@ def _focusChunks(self, runnumber, extension, filterWall, calib, splitwksp=None,
# Align and focus
self.log().information("[F1141] Align and focus workspace %s; Number of events = %d of chunk %d " % (str(temp), temp.getNumberEvents(), ichunk))

focuspos = self._config.getFocusPos()
focuspos = self._focusPos

temp = api.AlignAndFocusPowder(InputWorkspace=temp, OutputWorkspace=temp, CalFileName=calib,
Params=self._binning, ResampleX=self._resampleX, Dspacing=self._bin_in_dspace,
DMin=self._info.dmin, DMax=self._info.dmax, TMin=self._info.tmin, TMax=self._info.tmax,
DMin=self._info["d_min"], DMax=self._info["d_max"], TMin=self._info["tof_min"], TMax=self._info["tof_max"],
PreserveEvents=preserveEvents,
RemovePromptPulseWidth=self._removePromptPulseWidth, CompressTolerance=COMPRESS_TOL_TOF,
UnwrapRef=self._LRef, LowResRef=self._DIFCref, LowResSpectrumOffset=self._lowResTOFoffset,
Expand Down Expand Up @@ -819,10 +679,10 @@ def _focusChunks(self, runnumber, extension, filterWall, calib, splitwksp=None,
wksplist[itemp].getRun().integrateProtonCharge()
# ENDIF

if (self._config.iparmFile is not None) and (len(self._config.iparmFile) > 0):
if (self.iparmFile is not None) and (len(self.iparmFile) > 0):
# When chunks are added, add iparamFile
for itemp in xrange(numwksp):
wksplist[itemp].getRun()['iparm_file'] = self._config.iparmFile
wksplist[itemp].getRun()['iparm_file'] = self.iparmFile

for itemp in xrange(numwksp):
#if wksplist[itemp].__class__.__name__.count("Event") > 0:
Expand Down Expand Up @@ -859,43 +719,21 @@ def _focusChunks(self, runnumber, extension, filterWall, calib, splitwksp=None,
return wksplist

def _getinfo(self, wksp):
logs = wksp.getRun()
# get the frequency
frequency = None
if "SpeedRequest1" in logs.keys():
frequency = logs['SpeedRequest1']
if frequency.getStatistics().mean == 0.:
self.log().information("'SpeedRequest1' mean value is zero")
frequency = None
else:
self.log().information("'SpeedRequest1' is not specified in logs")
if frequency is None and "Speed1" in logs.keys():
frequency = logs['Speed1']
if frequency.getStatistics().mean == 0.:
self.log().information("'Speed1' mean value is zero")
frequency = None
else:
self.log().information("'Speed1' is not specified in logs")
if frequency is None:
if "frequency" in logs.keys():
frequency = logs['frequency']
else:
self.log().information("'frequency' is not specified in logs")
return self._config.getInfo(None, None)
if frequency.units != "Hz":
raise RuntimeError("Only know how to deal with frequency in Hz, not %s" % frequency.units)
frequency = frequency.getStatistics().mean

if not "LambdaRequest" in logs.keys():
self.log().information("'LambdaRequest' is not in the datafile")
return self._config.getInfo(None, None)
wavelength = logs['LambdaRequest']
if wavelength.units != "Angstrom":
raise RuntimeError("Only know how to deal with LambdaRequest in Angstrom, not $s" % wavelength)
wavelength = wavelength.getStatistics().mean

self.log().information("Frequency: " + str(frequency) + " Hz center wavelength:" + str(wavelength) + " Angstrom")
return self._config.getInfo(frequency, wavelength)
# get the correct row of the table
charac = api.PDDetermineCharacterizations(InputWorkspace=wksp,
Characterizations="characterizations",
ReductionProperties="__snspowderreduction",
BackRun=0,
NormRun=0,
NormBackRun=0)
# convert the result into a dict
manager = PropertyManagerDataService.retrieve("__snspowderreduction")
rowValues = {}
for name in ["frequency", "wavelength", "bank", "vanadium", "container",
"empty", "d_min", "d_max", "tof_min", "tof_max"]:
rowValues[name] = manager.getProperty(name).value

return rowValues

def _save(self, wksp, info, normalized, pdfgetn):
prefix = str(wksp)
Expand All @@ -907,16 +745,16 @@ def _save(self, wksp, info, normalized, pdfgetn):
pdfwksp = str(wksp)+"_norm"
pdfwksp = api.SetUncertainties(InputWorkspace=wksp, OutputWorkspace=pdfwksp, SetError="sqrt")
api.SaveGSS(InputWorkspace=pdfwksp, Filename=filename+".getn", SplitFiles=False, Append=False,
MultiplyByBinWidth=False, Bank=info.bank, Format="SLOG", ExtendedHeader=True)
MultiplyByBinWidth=False, Bank=info["bank"], Format="SLOG", ExtendedHeader=True)
api.DeleteWorkspace(pdfwksp)
return # don't do the other bits of saving
if "gsas" in self._outTypes:
api.SaveGSS(InputWorkspace=wksp, Filename=filename+".gsa", SplitFiles=False, Append=False,
MultiplyByBinWidth=normalized, Bank=info.bank, Format="SLOG", ExtendedHeader=True)
MultiplyByBinWidth=normalized, Bank=info["bank"], Format="SLOG", ExtendedHeader=True)
if "fullprof" in self._outTypes:
api.SaveFocusedXYE(InputWorkspace=wksp, StartAtBankNumber=info.bank, Filename=filename+".dat")
api.SaveFocusedXYE(InputWorkspace=wksp, StartAtBankNumber=info["bank"], Filename=filename+".dat")
if "topas" in self._outTypes:
api.SaveFocusedXYE(InputWorkspace=wksp, StartAtBankNumber=info.bank, Filename=filename+".xye",
api.SaveFocusedXYE(InputWorkspace=wksp, StartAtBankNumber=info["bank"], Filename=filename+".xye",
Format="TOPAS")
if "nexus" in self._outTypes:
api.ConvertUnits(InputWorkspace=wksp, OutputWorkspace=wksp, Target=self.getProperty("FinalDataUnits").value)
Expand Down

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