def predict_reflections(
self,
imageset,
crystal,
beam,
detector,
goniometer=None,
scan=None,
dmin=None,
dmax=None,
margin=1,
force_static=False,
padding=0,
**kwargs,
):
"""
Given an experiment, predict the reflections.
:param crystal: The crystal model
:param beam: The beam model
:param detector: The detector model
:param goniometer: The goniometer model
:param scan: The scan model
"""
from dxtbx.model.experiment_list import Experiment
from dials.algorithms.spot_prediction.reflection_predictor import (
ReflectionPredictor,
)
predict = ReflectionPredictor(
Experiment(
imageset=imageset,
crystal=crystal,
beam=beam,
detector=detector,
goniometer=goniometer,
scan=scan,
),
dmin=dmin,
dmax=dmax,
margin=margin,
force_static=force_static,
padding=padding,
)
return predict()
def from_predictions(
experiment, dmin=None, dmax=None, margin=1, force_static=False, padding=0
):
"""
Construct a reflection table from predictions.
:param experiment: The experiment to predict from
:param dmin: The maximum resolution
:param dmax: The minimum resolution
:param margin: The margin to predict around
:param force_static: Do static prediction with a scan varying model
:param padding: Padding in degrees
:return: The reflection table of predictions
"""
if experiment.profile is not None:
return experiment.profile.predict_reflections(
experiment.imageset,
experiment.crystal,
experiment.beam,
experiment.detector,
experiment.goniometer,
experiment.scan,
dmin=dmin,
dmax=dmax,
margin=margin,
force_static=force_static,
padding=padding,
)
from dials.algorithms.spot_prediction.reflection_predictor import (
ReflectionPredictor,
)
predict = ReflectionPredictor(
experiment,
dmin=dmin,
dmax=dmax,
margin=margin,
force_static=force_static,
padding=padding,
)
return predict()