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import os
from typing import List
import pytest
from emmet.core.synthesis import SynthesisRecipe, SynthesisTypeEnum
from mp_api.client.routes.materials.synthesis import SynthesisRester
@pytest.fixture
def rester():
rester = SynthesisRester()
yield rester
rester.session.close()
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_client(rester):
search_method = rester.search
if search_method is not None:
q = {"keywords": ["silicon"]}
doc = search_method(**q)[0]
assert doc.doi is not None
assert doc.paragraph_string is not None
assert doc.synthesis_type is not None
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_filters_keywords(rester):
search_method = rester.search
if search_method is not None:
doc = search_method(keywords=["silicon"])[0]
assert isinstance(doc.search_score, float)
highlighted = sum((x["texts"] for x in doc.highlights), [])
assert "silicon" in " ".join([x["value"] for x in highlighted]).lower()
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_filters_synthesis_type(rester):
search_method = rester.search
if search_method is not None:
doc = search_method(
synthesis_type=[SynthesisTypeEnum.solid_state], num_chunks=1
)
assert all(x.synthesis_type == SynthesisTypeEnum.solid_state for x in doc)
doc = search_method(synthesis_type=[SynthesisTypeEnum.sol_gel], num_chunks=1)
assert all(x.synthesis_type == SynthesisTypeEnum.sol_gel for x in doc)
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
@pytest.mark.xfail # Needs fixing
def test_filters_temperature_range(rester):
search_method = rester.search
if search_method is not None:
docs: List[SynthesisRecipe] = search_method(
condition_heating_temperature_min=700,
condition_heating_temperature_max=1000,
num_chunks=5,
)
for doc in docs:
for op in doc.operations:
for temp in op.conditions.heating_temperature:
for val in temp.values:
assert 700 <= val <= 1000
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
@pytest.mark.xfail # Needs fixing
def test_filters_time_range(rester):
search_method = rester.search
if search_method is not None:
docs: List[SynthesisRecipe] = search_method(
condition_heating_time_min=7, condition_heating_time_max=11, num_chunks=5
)
for doc in docs:
for op in doc.operations:
for temp in op.conditions.heating_time:
for val in temp.values:
assert 7 <= val <= 11
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_filters_atmosphere(rester):
search_method = rester.search
if search_method is not None:
docs: List[SynthesisRecipe] = search_method(
condition_heating_atmosphere=["air", "O2"],
num_chunks=5,
)
for doc in docs:
found = False
for op in doc.operations:
for atm in op.conditions.heating_atmosphere:
if atm in ["air", "O2"]:
found = True
assert found
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_filters_mixing_device(rester):
search_method = rester.search
if search_method is not None:
docs: List[SynthesisRecipe] = search_method(
condition_mixing_device=["zirconia", "Al2O3"],
num_chunks=5,
)
for doc in docs:
found = False
for op in doc.operations:
if op.conditions.mixing_device in ["zirconia", "Al2O3"]:
found = True
assert found
@pytest.mark.skipif(os.getenv("MP_API_KEY", None) is None, reason="No API key found.")
def test_filters_mixing_media(rester):
search_method = rester.search
if search_method is not None:
docs: List[SynthesisRecipe] = search_method(
condition_mixing_media=["water", "alcohol"],
num_chunks=5,
)
for doc in docs:
found = False
for op in doc.operations:
if op.conditions.mixing_media in ["water", "alcohol"]:
found = True
assert found
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