def reaction_unit_names(mech_str):
""" units specified in the reaction block
"""
block_str = remove_blanks(reactions_block(mech_str))
a_unit_names, _ = zip(*A_UNITS)
e_unit_names, _ = zip(*E_UNITS)
a_pattern = (STRING_START +
maybe(one_of_these(e_unit_names) + LINESPACES) +
capturing(one_of_these(a_unit_names)))
e_pattern = (STRING_START +
maybe(one_of_these(a_unit_names) + LINESPACES) +
capturing(one_of_these(e_unit_names)))
a_unit_name = find_first_capture(a_pattern, block_str)
e_unit_name = find_first_capture(e_pattern, block_str)
return a_unit_name, e_unit_name
def _block(mech_str, block_keys):
start_key = one_of_these(block_keys)
contents = capturing(one_or_more(WILDCARD, greedy=False))
pattern = start_key + contents + 'END'
mech_str = remove_comments(mech_str)
block = find_first_capture(pattern, mech_str)
return find_strip_spaces(block) if block else None
def _interpret_reagent_count(rgt_cnt_str):
_pattern = (STRING_START + capturing(maybe(DIGIT)) +
capturing(one_or_more(NONSPACE)))
cnt, rgt = find_first_capture(_pattern, rgt_cnt_str)
cnt = int(cnt) if cnt else 1
rgts = (rgt, ) * cnt
return rgts
def thermo_t_common_default(mech_str):
""" temperature defaults from the thermo block
"""
block_str = remove_blanks(thermo_block(mech_str))
pattern = (STRING_START + UNSIGNED_FLOAT + LINESPACES +
capturing(UNSIGNED_FLOAT) + LINESPACES + UNSIGNED_FLOAT)
capture = find_first_capture(pattern, block_str)
assert capture
tmp_com_def = float(capture)
return tmp_com_def
def thermo_data_temperatures(thm_dstr):
""" get the common temperature from a thermo data string
"""
headline = find_split_lines(thm_dstr)[0]
pattern = (LINESPACES + capturing(UNSIGNED_FLOAT) + LINESPACES +
capturing(UNSIGNED_FLOAT) + LINESPACES +
capturing(UNSIGNED_FLOAT))
captures = find_first_capture(pattern, headline)
assert captures
tmps = tuple(map(float, captures))
return tmps
def reaction_data_high_p_coeffs(rxn_dstr):
""" get the high-pressure Arrhenius coefficients from a reaction data string
"""
headline = find_split_lines(rxn_dstr)[0]
number = one_of_these(
[EXPONENTIAL_FLOAT, EXPONENTIAL_INTEGER, FLOAT, INTEGER])
pattern = (LINESPACES + capturing(number) + LINESPACES +
capturing(number) + LINESPACES + capturing(number))
captures = find_first_capture(pattern, headline)
assert captures
cfts = tuple(map(float, captures))
return cfts
def thermo_data_species_name(thm_dstr):
""" get the species name from a thermo data string
"""
pattern = STRING_START + capturing(one_or_more(NONSPACE))
spc = find_first_capture(pattern, thm_dstr)
return spc