def test_crop():
S = SMatrix(expansion_cutoff=30,
interpolation=3,
energy=300e3,
extent=10,
sampling=.02).build()
gridscan = GridScan(start=[0, 0], end=S.extent, gpts=64)
scans = gridscan.partition_scan((2, 2))
cropped = S.crop_to_scan(scans[0])
assert cropped.gpts != S.gpts
position = (4.9, 0.)
assert np.allclose(
S.collapse(position).array - cropped.collapse(position).array, 0.)
def test_cropped_scan():
atoms = read(
os.path.join(os.path.dirname(os.path.abspath(__file__)),
'data/amorphous_carbon.cif'))
potential = Potential(atoms,
gpts=512,
slice_thickness=1,
device='gpu',
projection='infinite',
parametrization='kirkland',
storage='gpu').build(pbar=True)
detector = AnnularDetector(inner=40, outer=60)
gridscan = GridScan(start=[0, 0], end=potential.extent, gpts=16)
S = SMatrix(expansion_cutoff=20,
interpolation=4,
energy=300e3,
device='gpu',
storage='cpu') # .build()
S = S.multislice(potential, pbar=True)
S = S.downsample('limit')
measurements = S.scan(gridscan, [detector], max_batch_probes=64)
scans = gridscan.partition_scan((2, 2))
cropped_measurements = {
detector: detector.allocate_measurement(S.collapse((0, 0)), gridscan)
}
for scan in scans:
cropped = S.crop_to_scan(scan)
cropped = cropped.transfer('gpu')
cropped_measurements = cropped.scan(scan,
cropped_measurements,
pbar=False)
assert np.allclose(cropped_measurements[detector].array,
measurements[detector].array)
