def create_difc_zero_workspace(difc, tzero, crop_on, name):
"""
create a workspace that can be used to plot the expected peaks against the fitted ones
@param difc :: the list of difc values to add to the table
@param tzero :: the list of tzero values to add to the table
@param crop_on :: where the cropping occured, either a bank, a spectra, or empty
@param name :: the name of a cropped workspace to use, if it is a non default name
"""
plot_spec_num = False
# check what banks to use
banks = [1]
correction = 0
if crop_on == "":
banks = [1, 2]
elif crop_on.lower() == "south":
correction = 1
elif not crop_on == "":
plot_spec_num = True
# loop through used banks
for i in banks:
actual_i = correction + i
# retrieve required workspace
if not plot_spec_num:
bank_ws = simple.AnalysisDataService.retrieve("engg_calibration_bank_{}".format(actual_i))
else:
bank_ws = simple.AnalysisDataService.retrieve(name)
# get the data to be used
x_val = []
y_val = []
y2_val = []
for irow in range(0, bank_ws.rowCount()):
x_val.append(bank_ws.cell(irow, 0))
y_val.append(bank_ws.cell(irow, 5))
y2_val.append(x_val[irow] * difc[i - 1] + tzero[i - 1])
# create workspaces to temporary hold the data
simple.CreateWorkspace(OutputWorkspace="ws1", DataX=x_val, DataY=y_val,
UnitX="Expected Peaks Centre(dSpacing, A)",
YUnitLabel="Fitted Peaks Centre(TOF, us)")
simple.CreateWorkspace(OutputWorkspace="ws2", DataX=x_val, DataY=y2_val)
# get correct name for output
if not plot_spec_num:
name = actual_i
output_name = "Engg difc Zero Peaks Bank {}".format(name)
# use the two workspaces to creat the output
output = simple.AppendSpectra(InputWorkspace1="ws1", InputWorkspace2="ws2",
OutputWorkspace=output_name)
plot_calibration(output, output_name)
# remove the left-over workspaces
simple.DeleteWorkspace("ws1")
simple.DeleteWorkspace("ws2")
def handle_van_curves(van_curves, van_path):
if len(van_curves) == 2:
curves_ws = simple.AppendSpectra(InputWorkspace1=van_curves[0], InputWorkspace2=van_curves[1])
simple.DeleteWorkspace(van_curves[1])
else:
curves_ws = van_curves[0]
simple.SaveNexus(curves_ws, van_path)
simple.DeleteWorkspace(van_curves[0])
simple.DeleteWorkspace(curves_ws)
def calculate_mantid_resolutions(ws_name, mass):
max_Y = np.ceil(2.5*mass+27)
rebin_parameters = str(-max_Y)+","+str(2.*max_Y/240)+","+str(max_Y) # twice the binning as for the data
ws= sapi.mtd[ws_name]
for index in range(ws.getNumberHistograms()):
sapi.VesuvioResolution(Workspace=ws,WorkspaceIndex=index,Mass=mass,OutputWorkspaceYSpace="tmp")
tmp=sapi.Rebin("tmp",rebin_parameters)
if index == 0:
sapi.RenameWorkspace(tmp,"resolution")
else:
sapi.AppendSpectra("resolution", tmp, OutputWorkspace= "resolution")
sapi.SumSpectra(InputWorkspace="resolution",OutputWorkspace="resolution")
normalise_workspace("resolution")
safe_delete_ws(tmp)