msg = "Parameters (keys):\t\t"
for key in zscores.keys():
msg += "%s,\t\t" % (key)
print msg
# ENDFOR Each Peak
return
def parseZscoreFilter(self, zscorefilterstr):
""" Parse Zscore filter string
Return: zscore filter dictionary Parameter Name: Maximum Allowed
"""
zscorefilter = {}
terms = zscorefilterstr.split(',')
if len(terms) % 2 == 1:
raise NotImplementedError("Zscore filter is not defined correct. It must have string and float in pair.")
for i in xrange(len(terms)/2):
parname = terms[2*i].strip()
maxzscore = float(terms[2*i+1])
zscorefilter[parname] = maxzscore
return zscorefilter
# Register algorithm with Mantid
registerAlgorithm(SelectPowderDiffPeaks)
mo.initialize()
mo.setAlwaysStoreInADS(True)
mo.setProperty("Workspace",'__app')
mo.setProperty("DetectorID",dID)
mo.setProperty("Z",detDist)
mo.setProperty("RelativePosition",'0')
mo.execute()
#mantid.simpleapi.MoveInstrumentComponent(Workspace='__app',DetectorID=dID,Z=detDist,RelativePosition='0')
#fix spectrum numbers
for i in range(__w_mon.getNumberHistograms()):
__app.getSpectrum(i).setSpectrumNo(__w_mon.getSpectrum(i).getSpectrumNo())
__app.getSpectrum(mon2spec).setSpectrumNo(0)
#get Ei
results=mantid.simpleapi.GetEi(InputWorkspace='__app',Monitor1Spec=mon1spec,Monitor2Spec=0,EnergyEstimate=Eguess)
#cleanup
mantid.mtd.remove('__sum')
mantid.mtd.remove('__app')
#return the results from GetEi
self.setProperty("IncidentEnergy",results[0])
self.setProperty("FirstMonitorPeak",results[1])
self.setProperty("FirstMonitorIndex",results[2])
self.setProperty("Tzero",results[3])
return
registerAlgorithm(GetEiMonDet)
"""*WIKI*
This algorithm creates an empty table workspace and puts it in the data service to make it available to python.
*WIKI*"""
from mantid.api import PythonAlgorithm, registerAlgorithm, ITableWorkspaceProperty, WorkspaceFactory
from mantid.kernel import Direction
# Create an empty table workspace to be populated by a python script.
class CreateEmptyTableWorkspace(PythonAlgorithm):
def PyInit(self):
# Declare properties
self.setWikiSummary("""Creates an empty table workspace that can be populated by python code.""")
self.declareProperty(ITableWorkspaceProperty("OutputWorkspace", "", Direction.Output), "The name of the table workspace that will be created.")
def PyExec(self):
tableWS = WorkspaceFactory.createTable()
self.setProperty("OutputWorkspace", tableWS)
# Register algorithm with Mantid
registerAlgorithm(CreateEmptyTableWorkspace)
def setUp(self):
if self.__class__._registered is None:
self.__class__._registered = True
registerAlgorithm(TestPyAlgDefaultAttrs)
registerAlgorithm(TestPyAlgOverriddenAttrs)
tablews.addRow([parname, paramdict[bank][parname], "f", -1.0E100, 1.0E100, 1.0])
# ENDFOR
# 3. Add lattice constant
latticeconstant = self.getProperty("LatticeConstant").value
tablews.addRow(["LatticeConstant", latticeconstant, "t", 0.1, 1.0E5, 0.1])
return tablews
def createReflectionWorkspace(self, hkldict, tablews):
""" Create TableWorkspace containing reflections and etc.
"""
# 1. Set up columns
tablews.addColumn("int", "H");
tablews.addColumn("int", "K");
tablews.addColumn("int", "L");
tablews.addColumn("double", "PeakHeight");
tablews.addColumn("str", "Include/Exclude")
# 2. Add rows
for hkl in sorted(hkldict.keys()):
tablews.addRow([hkl[0], hkl[1], hkl[2], 1.0, "i"])
# ENDFOR
return tablews
# Register algorithm with Mantid
registerAlgorithm(CreateLeBailFitInput)