def test_equality_checking():
""" test species and reaction equality checking"""
_, specs_ck, reacs_ck = read_mech(ck_file, None)
_, specs_cti, reacs_cti = read_mech_ct(cti_file)
assert reacs_ck[0] == reacs_cti[0]
for i in range(1, len(reacs_ck)):
assert reacs_ck[0] != reacs_cti[i]
assert specs_ck[0] == specs_cti[0]
for i in range(1, len(specs_ck)):
assert specs_ck[0] != specs_cti[i]
def test_mech_interpret_runs():
""" test mechanism intpreter for both cantera and chemkin, and that results
match"""
_, specs_ck, reacs_ck = read_mech(ck_file, None)
_, specs_cti, reacs_cti = read_mech_ct(cti_file)
assert len(reacs_ck) == len(reacs_cti)
for i in range(len(reacs_ck)):
assert reacs_ck[i] == reacs_cti[i]
assert len(specs_ck) == len(specs_cti)
for i in range(len(specs_ck)):
specs_ck[i] == specs_cti[i]
def test_mechanism_sorting():
# perform sort
_, specs_ck, reacs_ck = read_mech(ck_file, None, reaction_sorting.simd)
# ensure we have a good sort
from pyjac.core.enum_types import (reaction_type, falloff_form,
reversible_type, thd_body_type)
enum_order = (reaction_type, falloff_form, thd_body_type, reversible_type)
def check(start=0, end=len(reacs_ck), depth=0):
if depth == len(enum_order):
return
for enum in enum_order[depth]:
this_start = None
this_end = None
# pass #1, find start and end of this enum
for i in range(start, end):
if reacs_ck[i].match(enum) and this_start is None:
this_start = i
continue
if not reacs_ck[i].match(enum) and (this_end is None and
this_start is not None):
# end of this section
this_end = i - 1
break
elif this_start is not None:
# should all by of this type
assert reacs_ck[i].match(enum)
if this_start is None:
# no matches, nothing futher to check for this enum
continue
if this_end is None:
# all matches
this_end = end
check(this_start, this_end, depth + 1)
check()