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Update dxtbx API calls to fix deprecation warnings (#1672)
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Anthchirp committed Apr 23, 2021
1 parent a7bb8c7 commit 1528280
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Showing 3 changed files with 32 additions and 26 deletions.
43 changes: 23 additions & 20 deletions command_line/combine_experiments.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,9 @@
import random
import sys

import dxtbx.model.compare as compare
import xfel.clustering.cluster
from dxtbx.command_line.image_average import splitit
from dxtbx.datablock import BeamDiff, DetectorDiff, GoniometerDiff
from dxtbx.model.experiment_list import (
BeamComparison,
DetectorComparison,
Expand Down Expand Up @@ -264,14 +264,15 @@ def __call__(self, experiment):
if self.ref_beam:
if compare_beam:
if not compare_beam(self.ref_beam, experiment.beam):
diff = BeamDiff(
wavelength_tolerance=self.tolerance.beam.wavelength,
direction_tolerance=self.tolerance.beam.direction,
polarization_normal_tolerance=self.tolerance.beam.polarization_normal,
polarization_fraction_tolerance=self.tolerance.beam.polarization_fraction,
)
raise ComparisonError(
"\n".join(diff(self.ref_beam, experiment.beam))
compare.beam_diff(
self.ref_beam,
experiment.beam,
wavelength_tolerance=self.tolerance.beam.wavelength,
direction_tolerance=self.tolerance.beam.direction,
polarization_normal_tolerance=self.tolerance.beam.polarization_normal,
polarization_fraction_tolerance=self.tolerance.beam.polarization_fraction,
)
)
beam = self.ref_beam
else:
Expand All @@ -282,13 +283,14 @@ def __call__(self, experiment):
elif self.ref_detector and not self.average_detector:
if compare_detector:
if not compare_detector(self.ref_detector, experiment.detector):
diff = DetectorDiff(
fast_axis_tolerance=self.tolerance.detector.fast_axis,
slow_axis_tolerance=self.tolerance.detector.slow_axis,
origin_tolerance=self.tolerance.detector.origin,
)
raise ComparisonError(
"\n".join(diff(self.ref_detector, experiment.detector))
compare.detector_diff(
self.ref_detector,
experiment.detector,
fast_axis_tolerance=self.tolerance.detector.fast_axis,
slow_axis_tolerance=self.tolerance.detector.slow_axis,
origin_tolerance=self.tolerance.detector.origin,
)
)
detector = self.ref_detector
else:
Expand All @@ -297,13 +299,14 @@ def __call__(self, experiment):
if self.ref_goniometer:
if compare_goniometer:
if not compare_goniometer(self.ref_goniometer, experiment.goniometer):
diff = GoniometerDiff(
rotation_axis_tolerance=self.tolerance.goniometer.rotation_axis,
fixed_rotation_tolerance=self.tolerance.goniometer.fixed_rotation,
setting_rotation_tolerance=self.tolerance.goniometer.setting_rotation,
)
raise ComparisonError(
"\n".join(diff(self.ref_goniometer, experiment.goniometer))
compare.goniometer_diff(
self.ref_goniometer,
experiment.goniometer,
rotation_axis_tolerance=self.tolerance.goniometer.rotation_axis,
fixed_rotation_tolerance=self.tolerance.goniometer.fixed_rotation,
setting_rotation_tolerance=self.tolerance.goniometer.setting_rotation,
)
)
goniometer = self.ref_goniometer
else:
Expand Down
14 changes: 8 additions & 6 deletions command_line/dials_import.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@
import pickle
from collections import namedtuple

import dxtbx.model.compare as compare
from dxtbx.imageset import ImageGrid, ImageSequence
from dxtbx.model.experiment_list import (
Experiment,
Expand Down Expand Up @@ -928,15 +929,16 @@ def diagnose_multiple_sequences(self, sequences, params):
logger.info("=" * 80)
logger.info("")

def print_sequence_diff(self, sequence1, sequence2, params):
@staticmethod
def print_sequence_diff(sequence1, sequence2, params):
"""
Print a diff between sequences.
"""
from dxtbx.model.experiment_list import SequenceDiff

diff = SequenceDiff(params.input.tolerance)
text = diff(sequence1, sequence2)
logger.info("\n".join(text))
logger.info(
compare.sequence_diff(
sequence1, sequence2, tolerance=params.input.tolerance
)
)


@show_mail_handle_errors()
Expand Down
1 change: 1 addition & 0 deletions newsfragments/1672.misc
Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
Update dxtbx API calls to avoid deprecation warnings/errors.

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