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[yaml2ck] Fix explicit third body reaction output

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Prior to this fix, third body efficiencies were erroneously specified
for third body reactions with explicit collision partners (see #1415).
This commit is contained in:
Ingmar Schoegl
2022-12-31 12:33:32 +01:00
committed by Ray Speth
parent 2ce92eac2e
commit 957dd2414b
5 changed files with 45 additions and 17 deletions
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11
test/python/test_convert.py
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@@ -559,7 +559,7 @@ class yaml2ckTest(utilities.CanteraTest):
thermo: str | Path | None = None,
transport: str | Path | None = None,
permissive: bool = False,
) -> None:
) -> str:
if mech is not None:
mech, thermo, transport = self._convert_to_ck(
input_file,
@@ -578,6 +578,7 @@ class yaml2ckTest(utilities.CanteraTest):
quiet=True,
permissive=permissive,
)
return mech
def check_conversion(self, basename, cls=ct.Solution, **kwargs):
# The round-trip YAML->CK->YAML will always have the single phase name 'gas'
@@ -689,7 +690,13 @@ class yaml2ckTest(utilities.CanteraTest):
def test_third_body_reactions(self):
input_file = self.test_data_path / "explicit-third-bodies.yaml"
self.convert(input_file)
mech = self.convert(input_file)
with open(mech) as fid:
lines = fid.readlines()
for i, line in enumerate(lines):
if line.startswith("R1A + R1B"):
next = lines[i + 1]
assert next.startswith("LOW") or next.strip() == "DUPLICATE"
ck_phase, yaml_phase = self.check_conversion(input_file)
self.check_kinetics(
ck_phase, yaml_phase, [300, 800, 1450, 2800], [5e3, 1e5, 2e6]