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from __future__ import annotations
import math
from unittest import mock
import pytest
from dxtbx.model.experiment_list import ExperimentListFactory
import dials.algorithms.integration.processor
from dials.algorithms.profile_model.gaussian_rs import Model
from dials.array_family import flex
from dials_algorithms_integration_integrator_ext import JobList, max_memory_needed
def test_shoebox_memory_is_a_reasonable_guesstimate(dials_data):
path = dials_data("centroid_test_data", pathlib=True) / "experiments.json"
exlist = ExperimentListFactory.from_json_file(path)[0]
exlist.profile = Model(
None,
n_sigma=3,
sigma_b=0.024 * math.pi / 180.0,
sigma_m=0.044 * math.pi / 180.0,
)
rlist = flex.reflection_table.from_predictions(exlist)
rlist["id"] = flex.int(len(rlist), 0)
rlist["bbox"] = flex.int6(rlist.size(), (0, 1, 0, 1, 0, 1))
jobs = JobList()
jobs.add((0, 1), (0, 9), 9, 0)
for flatten in (True, False):
assumed_memory_usage = list(jobs.shoebox_memory(rlist, flatten))
assert len(assumed_memory_usage) == 1
assert assumed_memory_usage[0] == pytest.approx(23952, abs=3000)
max_mem = max_memory_needed(rlist, 0, 9, flatten)
assert max_mem == pytest.approx(23952, abs=3000)
@mock.patch("dials.algorithms.integration.processor.flex.max")
@mock.patch("dials.algorithms.integration.processor.MEMORY_LIMIT", 1_000_000)
def test_runtime_error_raised_when_not_enough_memory(mock_flex_max):
mock_flex_max.return_value = 750_001
phil_mock = mock.Mock()
phil_mock.mp.method = "multiprocessing"
phil_mock.mp.nproc = 4
phil_mock.block.max_memory_usage = 0.75
reflections = {"bbox": flex.int6(1000, (0, 1, 0, 1, 0, 1))}
manager = dials.algorithms.integration.processor._Manager(
None, reflections, phil_mock
)
manager.jobs = mock.Mock(autospec=JobList)
with pytest.raises(MemoryError) as exc_info:
manager.compute_processors()
assert "Not enough memory to run integration jobs." in exc_info.value.args[0]
mock_flex_max.assert_called_once_with(manager.jobs.shoebox_memory.return_value)
# Reduce memory usage by 1 byte, should then pass
mock_flex_max.return_value = 750000
manager.compute_processors()
mock_flex_max.assert_called_with(manager.jobs.shoebox_memory.return_value)
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