def observation():
from dials.model.data import Observation
obs = Observation()
obs.panel = 1
obs.centroid.px.position = (100, 200, 300)
obs.centroid.px.variance = (10, 20, 30)
obs.centroid.px.std_err_sq = (1, 2, 3)
obs.centroid.mm.position = (100.1, 200.1, 300.1)
obs.centroid.mm.variance = (10.1, 20.1, 30.1)
obs.centroid.mm.std_err_sq = (1.1, 2.1, 3.1)
obs.intensity.observed.value = 1234
obs.intensity.observed.variance = 42
obs.intensity.corrected.value = 1234.1
obs.intensity.corrected.variance = 42.1
return obs
def get_dials_obs(px_positions, px_var, px_sq_err, mm_positions, mm_var,
mm_sq_err):
''' gets obs array used to create shoeboxes '''
from dials.model.data import Intensity, Centroid, CentroidData, Observation
obs = flex.observation()
for iobs in range(len(px_positions)):
obs.append(
Observation(
panel=0,
centroid=Centroid(
px=CentroidData(position=(px_positions[iobs][0],
px_positions[iobs][1], 0),
variance=(px_var[iobs][0], px_var[iobs][1],
px_var[iobs][2]),
std_err_sq=(px_sq_err[iobs][0],
px_sq_err[iobs][1],
px_sq_err[iobs][2])),
mm=CentroidData(position=(mm_positions[iobs][0],
mm_positions[iobs][1], 0),
variance=(mm_var[iobs][0], mm_var[iobs][1],
mm_var[iobs][2]),
std_err_sq=(px_sq_err[iobs][0],
px_sq_err[iobs][1],
px_sq_err[iobs][2]))),
intensity=Intensity(observed_value=1.0,
observed_variance=1.0,
observed_success=True)))
return obs
def __init__(self):
from dials.model.data import Observation
self.obs = Observation()
self.obs.panel = 1
self.obs.centroid.px.position = (100, 200, 300)
self.obs.centroid.px.variance = (10, 20, 30)
self.obs.centroid.px.std_err_sq = (1, 2, 3)
self.obs.centroid.mm.position = (100.1, 200.1, 300.1)
self.obs.centroid.mm.variance = (10.1, 20.1, 30.1)
self.obs.centroid.mm.std_err_sq = (1.1, 2.1, 3.1)
self.obs.intensity.observed.value = 1234
self.obs.intensity.observed.variance = 42
self.obs.intensity.corrected.value = 1234.1
self.obs.intensity.corrected.variance = 42.1
def test_equality(observation):
from dials.model.data import Observation
obs2 = Observation(observation)
assert obs2 == observation
obs2.panel += 1
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.px.position = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.px.variance = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.px.std_err_sq = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.mm.position = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.mm.variance = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.centroid.mm.std_err_sq = (0, 0, 0)
assert obs2 != observation
obs2 = Observation(observation)
obs2.intensity.observed.value = 0
assert obs2 != observation
obs2 = Observation(observation)
obs2.intensity.observed.variance = 0
assert obs2 != observation
obs2 = Observation(observation)
obs2.intensity.corrected.value = 0
assert obs2 != observation
obs2 = Observation(observation)
obs2.intensity.corrected.variance = 0
assert obs2 != observation
def tst_equality(self):
from dials.model.data import Observation
obs2 = Observation(self.obs)
assert (obs2 == self.obs)
obs2.panel += 1
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.px.position = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.px.variance = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.px.std_err_sq = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.mm.position = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.mm.variance = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.centroid.mm.std_err_sq = (0, 0, 0)
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.intensity.observed.value = 0
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.intensity.observed.variance = 0
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.intensity.corrected.value = 0
assert (obs2 != self.obs)
obs2 = Observation(self.obs)
obs2.intensity.corrected.variance = 0
assert (obs2 != self.obs)
print 'OK'