def test_Q_Sample(self):
md = CreateMDWorkspace(Dimensions=3,
Extents='0,10,0,10,0,10',
Names='x,y,z',
Units='r.l.u.,r.l.u.,r.l.u.',
Frames='QSample,QSample,QSample')
pw_name = 'peaks_add_delete_test'
CreatePeaksWorkspace(OutputType='LeanElasticPeak',
NUmberOfPeaks=0,
OutputWorkspace=pw_name)
self.assertEqual(mtd[pw_name].getNumberPeaks(), 0)
sliceViewer = SliceViewer(md)
# select z=3.0 slice
sliceViewer.view.dimensions.set_slicepoint((None, None, 3.0))
event = Mock(inaxes=True, xdata=1.0, ydata=2.0)
sliceViewer.canvas_clicked(event)
# nothing should happen since peaksviewer isn't active
self.assertEqual(mtd[pw_name].getNumberPeaks(), 0)
# overlay_peaks_workspaces
sliceViewer._create_peaks_presenter_if_necessary(
).overlay_peaksworkspaces([pw_name])
sliceViewer.canvas_clicked(event)
# nothing should happen since add/remove peak action not selected
self.assertEqual(mtd[pw_name].getNumberPeaks(), 0)
# click the "Add Peaks" button
sliceViewer.view.peaks_view.peak_actions_view.ui.add_peaks_button.click(
)
sliceViewer.canvas_clicked(event) # should add a peak at (1, 2, 3)
# peak should now be added
self.assertEqual(mtd[pw_name].getNumberPeaks(), 1)
peak = mtd[pw_name].getPeak(0)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 2.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 3.0, delta=1e-10)
self.assertEqual(peak.getH(), 0)
self.assertEqual(peak.getK(), 0)
self.assertEqual(peak.getL(), 0)
# change to x-z slice, y=4, check that the transform is working
sliceViewer.view.dimensions.dims[2].y_clicked()
sliceViewer.view.dimensions.set_slicepoint((None, 4.0, None))
sliceViewer.canvas_clicked(event) # should add a peak at (1, 4, 2)
self.assertEqual(mtd[pw_name].getNumberPeaks(), 2)
peak = mtd[pw_name].getPeak(1)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 4.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 2.0, delta=1e-10)
self.assertEqual(peak.getH(), 0)
self.assertEqual(peak.getK(), 0)
self.assertEqual(peak.getL(), 0)
# click the "Remove Peaks" button
sliceViewer.view.peaks_view.peak_actions_view.ui.remove_peaks_button.click(
)
sliceViewer.view.dimensions.set_slicepoint((None, 0.0, None))
event = Mock(inaxes=True, xdata=1.0, ydata=1.0)
sliceViewer.canvas_clicked(
event) # should remove the peak closest to (1, 0, 1)
self.assertEqual(mtd[pw_name].getNumberPeaks(), 1)
# should be left with the seconds peak that was added
peak = mtd[pw_name].getPeak(0)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 4.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 2.0, delta=1e-10)
self.assertEqual(peak.getH(), 0)
self.assertEqual(peak.getK(), 0)
self.assertEqual(peak.getL(), 0)
# remove another peaks, should be none remaining
sliceViewer.canvas_clicked(
event) # should remove the peak closest to (1, 0, 1)
self.assertEqual(mtd[pw_name].getNumberPeaks(), 0)
def test_HKL(self):
md = CreateMDWorkspace(Dimensions=3,
Extents='0,10,0,10,0,10',
Names='H,K,L',
Units='r.l.u.,r.l.u.,r.l.u.',
Frames='HKL,HKL,HKL')
pw_name = 'peaks_add_delete_test'
CreatePeaksWorkspace(OutputType='LeanElasticPeak',
NUmberOfPeaks=0,
OutputWorkspace=pw_name)
SetUB(pw_name, 2 * np.pi, 2 * np.pi, 4 * np.pi, u='0,0,1', v='1,0,0')
self.assertEqual(mtd[pw_name].getNumberPeaks(), 0)
sliceViewer = SliceViewer(md)
# select z=3.0 slice
sliceViewer.view.dimensions.set_slicepoint((None, None, 3.0))
# overlay_peaks_workspaces
sliceViewer._create_peaks_presenter_if_necessary(
).overlay_peaksworkspaces([pw_name])
# click the "Add Peaks" button
sliceViewer.view.peaks_view.peak_actions_view.ui.add_peaks_button.click(
)
# click on 3 different points on the canvas
sliceViewer.canvas_clicked(
Mock(inaxes=True, xdata=1.0,
ydata=2.0)) # should add a peak at HKL=(1, 2, 3)
sliceViewer.canvas_clicked(
Mock(inaxes=True, xdata=2.0,
ydata=2.0)) # should add a peak at HKL=(2, 2, 3)
sliceViewer.canvas_clicked(
Mock(inaxes=True, xdata=1.5,
ydata=1.5)) # should add a peak at HKL=(1.5, 1.5, 3)
# peaks should be added
self.assertEqual(mtd[pw_name].getNumberPeaks(), 3)
# (1, 2, 3)
peak = mtd[pw_name].getPeak(0)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 2.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getH(), 1, delta=1e-10)
self.assertAlmostEqual(peak.getK(), 2, delta=1e-10)
self.assertAlmostEqual(peak.getL(), 3, delta=1e-10)
# (2, 2, 3)
peak = mtd[pw_name].getPeak(1)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 2.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 2.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getH(), 2, delta=1e-10)
self.assertAlmostEqual(peak.getK(), 2, delta=1e-10)
self.assertAlmostEqual(peak.getL(), 3, delta=1e-10)
# (1.5, 1.5, 3)
peak = mtd[pw_name].getPeak(2)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.5, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 1.5, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getH(), 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getK(), 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getL(), 3, delta=1e-10)
# click the "Remove Peaks" button
sliceViewer.view.peaks_view.peak_actions_view.ui.remove_peaks_button.click(
)
sliceViewer.canvas_clicked(Mock(
inaxes=True, xdata=2.0,
ydata=1.9)) # should remove the peak closest to HKL=(2, 1.9, 3)
self.assertEqual(mtd[pw_name].getNumberPeaks(), 2)
# should have deleted the (2, 2, 3) peak, leaving (1, 2, 3) and (1.5, 1.5, 3)
# (1, 2, 3)
peak = mtd[pw_name].getPeak(0)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.0, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 2.0, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getH(), 1, delta=1e-10)
self.assertAlmostEqual(peak.getK(), 2, delta=1e-10)
self.assertAlmostEqual(peak.getL(), 3, delta=1e-10)
# (1.5, 1.5, 3)
peak = mtd[pw_name].getPeak(1)
q_sample = peak.getQSampleFrame()
self.assertAlmostEqual(q_sample[0], 1.5, delta=1e-10)
self.assertAlmostEqual(q_sample[1], 1.5, delta=1e-10)
self.assertAlmostEqual(q_sample[2], 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getH(), 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getK(), 1.5, delta=1e-10)
self.assertAlmostEqual(peak.getL(), 3, delta=1e-10)
