diff --git a/Code/Mantid/docs/source/algorithms/AddPeakHKL-v1.rst b/Code/Mantid/docs/source/algorithms/AddPeakHKL-v1.rst index 066ed24f5669..ab768f8c24c9 100644 --- a/Code/Mantid/docs/source/algorithms/AddPeakHKL-v1.rst +++ b/Code/Mantid/docs/source/algorithms/AddPeakHKL-v1.rst @@ -12,35 +12,51 @@ Description Add a peak in the HKL frame to an existing :ref:`PeaksWorkspace `. The OrientedLattice must be provided and the Goniometer should be set correctly before running the algorithm. -This algorithm will +The peak is added to the existing PeaksWorkspace. Run information and goniometer setting and the UB matrix are taken from the provided PeaksWorkspace. Usage ----- -.. Try not to use files in your examples, - but if you cannot avoid it then the (small) files must be added to - autotestdata\UsageData and the following tag unindented - .. include:: ../usagedata-note.txt **Example - AddPeakHKL** .. testcode:: AddPeakHKLExample - # Create a host workspace - ws = CreateWorkspace(DataX=range(0,3), DataY=(0,2)) - or - ws = CreateSampleWorkspace() + import os + import numpy + import mantid.kernel - wsOut = AddPeakHKL() + # 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') - # Print the result - print "The output workspace has %i spectra" % wsOut.getNumberHistograms() + # 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.getPeak(0) + print 'Peak wavelength', round(peak.getWavelength(), 4) + print 'Peak detector id', peak.getDetectorID() + print 'Peak run number', peak.getRunNumber() + print 'Peak HKL', peak.getHKL() Output: .. testoutput:: AddPeakHKLExample - The output workspace has ?? spectra + Peak wavelength 1.8423 + Peak detector id 25766 + Peak run number 1 + Peak HKL [2,0,-4] .. categories::