def test_with_old_index_generator(data):
from dials.algorithms.spot_prediction import ScanStaticReflectionPredictor
from dials.array_family import flex
predict = ScanStaticReflectionPredictor(data.experiments[0])
r_old = predict.for_ub_old_index_generator(
data.experiments[0].crystal.get_A())
r_new = predict.for_ub(data.experiments[0].crystal.get_A())
index1 = flex.size_t(
sorted(range(len(r_old)), key=lambda x: r_old["miller_index"][x]))
index2 = flex.size_t(
sorted(range(len(r_new)), key=lambda x: r_new["miller_index"][x]))
r_old = r_old.select(index1)
r_new = r_new.select(index2)
assert len(r_old) == len(r_new)
for r1, r2 in zip(r_old.rows(), r_new.rows()):
assert r1["miller_index"] == r2["miller_index"]
assert r1["panel"] == r2["panel"]
assert r1["entering"] == r2["entering"]
assert all(a == pytest.approx(b, abs=1e-7)
for a, b in zip(r1["s1"], r2["s1"]))
assert all(a == pytest.approx(b, abs=1e-7)
for a, b in zip(r1["xyzcal.px"], r2["xyzcal.px"]))
assert all(a == pytest.approx(b, abs=1e-7)
for a, b in zip(r1["xyzcal.mm"], r2["xyzcal.mm"]))
def tst_with_old_index_generator(self):
from dials.algorithms.spot_prediction import ScanStaticReflectionPredictor
from dials.array_family import flex
predict = ScanStaticReflectionPredictor(self.experiments[0])
r_old = predict.for_ub_old_index_generator(
self.experiments[0].crystal.get_A())
r_new = predict.for_ub(self.experiments[0].crystal.get_A())
index1 = flex.size_t(
sorted(range(len(r_old)), key=lambda x: r_old['miller_index'][x]))
index2 = flex.size_t(
sorted(range(len(r_new)), key=lambda x: r_new['miller_index'][x]))
r_old = r_old.select(index1)
r_new = r_new.select(index2)
assert (len(r_old) == len(r_new))
eps = 1e-7
for r1, r2 in zip(r_old.rows(), r_new.rows()):
assert (r1['miller_index'] == r2['miller_index'])
assert (r1['panel'] == r2['panel'])
assert (r1['entering'] == r2['entering'])
assert (all(abs(a - b) < eps for a, b in zip(r1['s1'], r2['s1'])))
assert (all(
abs(a - b) < eps
for a, b in zip(r1['xyzcal.px'], r2['xyzcal.px'])))
assert (all(
abs(a - b) < eps
for a, b in zip(r1['xyzcal.mm'], r2['xyzcal.mm'])))
print 'OK'
