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import os
from core_function import client_search_testing
from datetime import datetime
import pytest
from mp_api.client.routes.materials.tasks import TaskRester
@pytest.fixture
def rester():
rester = TaskRester(monty_decode=False)
yield rester
rester.session.close()
excluded_params = [
"sort_fields",
"chunk_size",
"num_chunks",
"all_fields",
"fields",
"formula",
"elements",
"exclude_elements",
]
sub_doc_fields = [] # type: list
alt_name_dict = {
"formula": "task_id",
"task_ids": "task_id",
"exclude_elements": "task_id",
} # type: dict
custom_field_tests = {
"chemsys": "Si-O",
"last_updated": (None, datetime.utcnow()),
"task_ids": ["mp-149"],
} # type: dict
@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
def test_client(rester):
search_method = rester.search
client_search_testing(
search_method=search_method,
excluded_params=excluded_params,
alt_name_dict=alt_name_dict,
custom_field_tests=custom_field_tests,
sub_doc_fields=sub_doc_fields,
)
def test_get_trajectories(rester):
trajectories = [traj for traj in rester.get_trajectory("mp-149")]
for traj in trajectories:
assert ("@module", "pymatgen.core.trajectory") in traj.items()
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