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AddPeakHKL v1

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Summary

Add a peak in the hkl frame

See Also

AddPeak

Properties

Name	Direction	Type	Default	Description
Workspace	InOut	IPeaksWorkspace	Mandatory	An input workspace.
HKL	Input	dbl list	Mandatory	HKL point to add

Description

Add a peak in the HKL frame to an existing PeaksWorkspace. The OrientedLattice must be provided and the Goniometer should be set correctly before running the algorithm.

The peak is added to the existing PeaksWorkspace. Run information and goniometer setting and the UB matrix are taken from the provided PeaksWorkspace.

Usage

Example - AddPeakHKL

import os
import numpy
import mantid.kernel

# Create an instrument workspace
inst_dir = config.getInstrumentDirectory()
sxd_ws = LoadEmptyInstrument(os.path.join(inst_dir, "SXD_Definition.xml"))
AddSampleLog(sxd_ws, 'run_number', '1', 'Number')

# Create a peaks workspace from the instrument workspace
peak_ws = CreatePeaksWorkspace(InstrumentWorkspace=sxd_ws, NumberOfPeaks=0)
peak_ws.mutableRun().addProperty('run_number', sxd_ws.run().getProperty('run_number'), True)

# Apply a UB
ub = numpy.array([[-0.15097235,  0.09164432,  0.00519473], [ 0.0831895,   0.14123681, -0.06719047], [-0.03845029, -0.05534039, -0.1633801 ]])
SetUB(peak_ws, UB=ub)

# Add a new peak
AddPeakHKL(peak_ws, [2, 0, -4])

# Get info on newly added peak
peak = peak_ws.row(0)
print('Peak wavelength {}'.format(round(peak['Wavelength'], 4)))
print('Peak detector id {}'.format(peak['DetID']))
print('Peak run number {}'.format(peak['RunNumber']))
print('Peak HKL [{},{},{}]'.format(int(peak['h']), int(peak['k']), int(peak['l'])))

Output:

Peak wavelength 1.8423
Peak detector id 25766
Peak run number 1
Peak HKL [2,0,-4]

Categories: AlgorithmIndex | Crystal\Peaks

Source

C++ header: AddPeakHKL.h

C++ source: AddPeakHKL.cpp