def test_addPeak_SpecialCoordinateSystem(self):
r"""Verify we can add peaks in different coordinate systems"""
pws = WorkspaceCreationHelper.createPeaksWorkspace(
numPeaks=0, createOrientedLattice=True)
pws.addPeak([1, 2, 3], SpecialCoordinateSystem.QLab)
pws.addPeak([1, 2, 3], SpecialCoordinateSystem.QSample)
pws.addPeak([1, 2, 3], SpecialCoordinateSystem.HKL)
def test_createPeakHKL(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(0, True)
lattice = pws.mutableSample().getOrientedLattice()
# Simple test that the creational method is exposed
p = pws.createPeakHKL([1,1,1])
self.assertTrue(IPeak != None)
def test_peak_setQSampleFrame(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
p = pws.getPeak(0)
try:
p.setQSampleFrame(V3D(1, 1, 1))
except Exception:
self.fail("Tried setQSampleFrame with one V3D argument")
self.assertAlmostEquals(p.getQSampleFrame().X(),
-1.4976057446828845,
places=10)
self.assertAlmostEquals(p.getQSampleFrame().Y(),
0.059904229787315376,
places=10)
self.assertAlmostEquals(p.getQSampleFrame().Z(),
1.4400957702126842,
places=10)
try:
p.setQSampleFrame(V3D(1, 1, 1), 1)
except Exception:
self.fail(
"Tried setQSampleFrame with one V3D argument and a double distance"
)
self.assertAlmostEquals(p.getQSampleFrame().X(), 1.0, places=10)
self.assertAlmostEquals(p.getQSampleFrame().Y(), 1.0, places=10)
self.assertAlmostEquals(p.getQSampleFrame().Z(), 1.0, places=10)
def test_createPeakHKL(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(0, True)
lattice = pws.mutableSample().getOrientedLattice()
# Simple test that the creational method is exposed
p = pws.createPeakHKL([1,1,1])
self.assertTrue(IPeak != None)
def test_sort_by_value_not_string(self):
npeaks = 5
peaks_ws = WorkspaceCreationHelper.createPeaksWorkspace(npeaks)
view = PeaksViewerView(None, None)
model = PeaksViewerModel(peaks_ws, fg_color='r', bg_color='w')
presenter = PeaksViewerPresenter(model, view)
table_view = view.table_view
table_model = table_view.model()
# Very difficult to simulate mouse click to sort - trust Qt to do that
# We are more interested that the sort is based on value no a string comparison
# check a few columns
for column_index in (7, 16): # tof & qlab
table_model.sort(column_index, Qt.DescendingOrder)
self.assertEqual(npeaks, view.table_view.rowCount())
# assert sort has happened
col_values = [
table_model.index(i, column_index).data(
PeaksWorkspaceDataPresenter.DATA_SORT_ROLE)
for i in range(npeaks)
]
self.assertTrue(
all(col_values[i + 1] < col_values[i]
for i in range(npeaks - 1)),
msg="TOF values have not been sorted into descending order")
view.close()
del presenter
def test_peak_setQSampleFrame(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
p = pws.getPeak(0)
try:
p.setQSampleFrame(V3D(1,1,1))
except Exception:
self.fail("Tried setQSampleFrame with one V3D argument")
try:
p.setQSampleFrame(V3D(1,1,1), 1)
except Exception:
self.fail("Tried setQSampleFrame with one V3D argument and a double distance")
def test_setCell_with_column_name(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
pws.setCell("h", 0, 1)
pws.setCell("k", 0, 2)
pws.setCell("l", 0, 3)
pws.setCell("QLab", 0, V3D(1,1,1))
pws.setCell("QSample", 0, V3D(1,1,1))
self.assertEquals(pws.cell("h", 0), 1)
self.assertEquals(pws.cell("k", 0), 2)
self.assertEquals(pws.cell("l", 0), 3)
self.assertEquals(pws.cell("QLab", 0), V3D(1,1,1))
self.assertEquals(pws.cell("QSample", 0), V3D(1,1,1))
def test_iteration_support(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(0, True)
hkls = ([1, 1, 1], [2, 1, 1], [1, 2, 1])
for hkl in hkls:
pws.addPeak(pws.createPeakHKL(hkl))
count = 0
for index, peak in enumerate(pws):
count += 1
self.assertTrue(isinstance(peak, IPeak))
self.assertAlmostEqual(V3D(*hkls[index]), peak.getHKL())
self.assertEquals(len(hkls), count)
def test_setCell_with_column_name(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
pws.setCell("h", 0, 1)
pws.setCell("k", 0, 2)
pws.setCell("l", 0, 3)
pws.setCell("QLab", 0, V3D(1,1,1))
pws.setCell("QSample", 0, V3D(1,1,1))
self.assertEquals(pws.cell("h", 0), 1)
self.assertEquals(pws.cell("k", 0), 2)
self.assertEquals(pws.cell("l", 0), 3)
self.assertEquals(pws.cell("QLab", 0), V3D(1,1,1))
self.assertEquals(pws.cell("QSample", 0), V3D(1,1,1))
def test_peak_setQSampleFrame(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
p = pws.getPeak(0)
try:
p.setQSampleFrame(V3D(1, 1, 1))
except Exception:
self.fail("Tried setQSampleFrame with one V3D argument")
try:
p.setQSampleFrame(V3D(1, 1, 1), 1)
except Exception:
self.fail(
"Tried setQSampleFrame with one V3D argument and a double distance"
)
def test_peak_setQLabFrame(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
p = pws.getPeak(0)
try:
p.setQLabFrame(V3D(1,1,1))
except Exception:
self.fail("Tried setQLabFrame with one V3D argument")
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Y(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Z(), 1.0, places=10)
try:
p.setQLabFrame(V3D(1,1,1), 1)
except Exception:
self.fail("Tried setQLabFrame with one V3D argument and a double distance")
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Y(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Z(), 1.0, places=10)
def test_interface(self):
""" Rudimentary test to get peak and get/set some values """
pws = WorkspaceCreationHelper.createPeaksWorkspace(1)
self.assertTrue(isinstance(pws, IPeaksWorkspace))
self.assertEqual(pws.getNumberPeaks(), 1)
p = pws.getPeak(0)
# Try a few IPeak get/setters. Not everything.
p.setH(234)
self.assertEqual(p.getH(), 234)
p.setHKL(5,6,7)
self.assertEqual(p.getH(), 5)
self.assertEqual(p.getK(), 6)
self.assertEqual(p.getL(), 7)
hkl = p.getHKL()
self.assertEquals(hkl, V3D(5,6,7))
p.setIntensity(456)
p.setSigmaIntensity(789)
self.assertEqual(p.getIntensity(), 456)
self.assertEqual(p.getSigmaIntensity(), 789)
# Finally try to remove a peak
pws.removePeak(0)
self.assertEqual(pws.getNumberPeaks(), 0)
# Create a new peak at some Q in the lab frame
qlab = V3D(1,2,3)
p = pws.createPeak(qlab, 1.54)
p.getQLabFrame()
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, 3)
# Now try to add the peak back
pws.addPeak(p)
self.assertEqual(pws.getNumberPeaks(), 1)
# Check that it is what we added to it
p = pws.getPeak(0)
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, 3)
# Peaks workspace will not be integrated by default.
self.assertTrue(not pws.hasIntegratedPeaks())
def test_interface(self):
""" Rudimentary test to get peak and get/set some values """
pws = WorkspaceCreationHelper.createPeaksWorkspace(1)
self.assertTrue(isinstance(pws, IPeaksWorkspace))
self.assertEqual(pws.getNumberPeaks(), 1)
p = pws.getPeak(0)
# Try a few IPeak get/setters. Not everything.
p.setH(234)
self.assertEqual(p.getH(), 234)
p.setHKL(5,6,7)
self.assertEqual(p.getH(), 5)
self.assertEqual(p.getK(), 6)
self.assertEqual(p.getL(), 7)
hkl = p.getHKL()
self.assertEquals(hkl, V3D(5,6,7))
p.setIntensity(456)
p.setSigmaIntensity(789)
self.assertEqual(p.getIntensity(), 456)
self.assertEqual(p.getSigmaIntensity(), 789)
# Finally try to remove a peak
pws.removePeak(0)
self.assertEqual(pws.getNumberPeaks(), 0)
# Create a new peak at some Q in the lab frame
qlab = V3D(1,2,3)
p = pws.createPeak(qlab, 1.54)
p.getQLabFrame()
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, 3)
# Now try to add the peak back
pws.addPeak(p)
self.assertEqual(pws.getNumberPeaks(), 1)
# Check that it is what we added to it
p = pws.getPeak(0)
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, 3)
# Peaks workspace will not be integrated by default.
self.assertTrue(not pws.hasIntegratedPeaks())
def test_peak_setQLabFrame(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(1, True)
p = pws.getPeak(0)
try:
p.setQLabFrame(V3D(1,1,1))
except Exception:
self.fail("Tried setQLabFrame with one V3D argument")
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Y(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Z(), 1.0, places=10)
try:
p.setQLabFrame(V3D(1,1,1), 1)
except Exception:
self.fail("Tried setQLabFrame with one V3D argument and a double distance")
self.assertAlmostEquals( p.getQLabFrame().X(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Y(), 1.0, places=10)
self.assertAlmostEquals( p.getQLabFrame().Z(), 1.0, places=10)
def test_col_rol(self):
pws = WorkspaceCreationHelper.createPeaksWorkspace(0, True)
# Incident wavevector
wavelength = 2.0 # Angstroms
k = 2 * math.pi / wavelength
ki = pws.getInstrument().getReferenceFrame().vecPointingAlongBeam() * k
# Final Wavevector
detector_id = 42 # column_id = 4, row_id = 2
kf = pws.componentInfo().position(detector_id)
kf = kf * (k / kf.norm())
# Peak
q_lab = ki - kf # inelastic convention
peak = pws.createPeak(q_lab)
pws.addPeak(peak)
col, row = pws.row(0)['Col'], pws.row(0)['Row']
self.assertAlmostEqual(col, 4)
self.assertAlmostEquals(row, 2)
def test_createPeakHKL(self):
r"""Simple test that the creational method is exposed"""
pws = WorkspaceCreationHelper.createPeaksWorkspace(0, True)
p = pws.createPeakHKL([1, 1, 1])
self.assertFalse(p is None)
