def get_default_temp_limits(block_str):
""" Gets the default temperatures from the header of a thermo block str
"""
block_str = apf.remove(COMMENTS_PATTERN, block_str)
line_lst = list(apf.split_lines(block_str))
# Loop over each line
for line in line_lst:
try:
# Note that this order is different than
# that in the individual thermo entries
low_limit = float(line[0:10])
midpoint = float(line[10:20])
high_limit = float(line[20:30])
break
except ValueError:
pass
# Check if the first thermo entry has been reached
if len(line) >= 80 and line[79] == '1':
low_limit, midpoint, high_limit = None, None, None
# Note that this order is different than
# that in the individual thermo entries
default_temp_limits = [low_limit, midpoint, high_limit]
return default_temp_limits
def temperatures(thm_dstr):
""" get the common temperature from a thermo data string
"""
headline = apf.split_lines(thm_dstr)[0]
pattern = (app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT) +
app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT) +
app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT))
captures = apf.first_capture(pattern, headline)
assert captures
tmps = tuple(map(float, captures))
return tmps
def create_entry_list(block_str, add_spaces=True):
""" Creates a list with each line of the thermo block_str as an
entry in that list
:param block_str: string for thermo block
:return line_lst: list of strs for each line
"""
block_str = apf.remove(COMMENTS_PATTERN, block_str)
# print('type of block_str\n', type(block_str))
line_lst = list(apf.split_lines(block_str))
#line_lst = list(block_str.splitlines)
# print(type(line_lst))
# Get the indices of the entry header lines
header_idxs = []
for idx, line in enumerate(line_lst):
if len(line) >= 80 and line[79] == '1':
header_idxs.append(idx)
if not header_idxs:
raise ImportError(
'No thermo headers in the file could be read. A "1" in column 80 marks this.'
)
header_idxs.append(
len(line_lst)) # adds an entry to mark the end of the block_str
# Check that there are at least 4 lines in each entry
for idx, difference in enumerate(np.diff(header_idxs)):
assert difference >= 4, (
f'There are less than 4 lines for this thermo entry: \n{line_lst[header_idxs[idx]]}'
)
# Put together the thermo entries into a list of tuples
entry_lst = []
for idx in range(len(header_idxs) - 1): # skips the last entry
entry = line_lst[header_idxs[idx]:header_idxs[idx + 1]]
entry_lst.append(entry)
# Fix the problem of the missing spaces at the beginning of lines without negative signs
entry_lst = fix_lines(entry_lst)
return entry_lst
def temperatures(thm_dstr):
""" Parses the temperatures from the NASA polynomial
given in the data string for a species in the thermo block.
:param thm_dstr: data string for species in thermo block
:type thm_dstr: str
:return temps: temperatures (K)
:rtype: tuple(float)
"""
headline = apf.split_lines(thm_dstr)[0]
pattern = (app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT) +
app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT) +
app.LINESPACES + app.capturing(app.UNSIGNED_FLOAT))
captures = apf.first_capture(pattern, headline)
assert captures
temps = tuple(map(float, captures))
return temps
def temperatures(thm_dstr):
""" Parses the temperatures from the NASA polynomial
given in the data string for a species in the thermo block.
:param thm_dstr: data string for species in thermo block
:type thm_dstr: str
:return temps: temperatures (K)
:rtype: tuple(float)
"""
headline = apf.split_lines(thm_dstr)[0]
pattern = (app.one_or_more(app.SPACE) + app.capturing(app.NUMBER) +
app.one_or_more(app.SPACE) + app.capturing(app.NUMBER) +
app.one_or_more(app.SPACE) + app.capturing(app.NUMBER) +
app.one_or_more(app.SPACE) + app.DIGIT + app.STRING_END)
captures = apf.first_capture(pattern, headline)
assert captures, (
f'No temperatures were captured for the datastring {thm_dstr}')
temps = tuple(map(float, captures))
return temps
