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import os
from .core_function import client_search_testing
import pytest
from emmet.core.molecules.summary import HasProps
from mp_api.client.routes.molecules.summary import MoleculesSummaryRester
excluded_params = [
"sort_fields",
"chunk_size",
"num_chunks",
"all_fields",
"fields",
"exclude_elements",
"has_props",
]
alt_name_dict = {"formula": "formula_alphabetical", "molecule_ids": "molecule_id"}
custom_field_tests = {
"molecule_ids": ["351ef090ebd90b661a4e1205756f6957-C1Mg1N2O1S1-m2-1"],
"formula": "C2 H4",
"chemsys": "C-H",
"elements": ["P"],
"has_solvent": "DIELECTRIC=18,500;N=1,415;ALPHA=0,000;BETA=0,735;GAMMA=20,200;PHI=0,000;PSI=0,000",
"has_level_of_theory": "wB97X-V/def2-TZVPPD/SMD",
"has_lot_solvent": "wB97X-V/def2-TZVPPD/SMD(SOLVENT=THF)",
"nelements": 2,
"charge": 1,
"spin_multiplicity": 1,
"has_props": [HasProps.orbitals],
} # type: dict
@pytest.mark.skip(reason="Temporary until data adjustments")
@pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
def test_client():
search_method = MoleculesSummaryRester().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=[],
)
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