research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

[ck2cti] Permit lower case keywords in Chemkin input files

Browse source 
Although the specification of the file format doesn't appear to allow lower
case keywords, many mechanisms are distributed using them.
This commit is contained in:
Ray Speth 2013-06-17 14:20:19 +00:00
parent 2c4748aaf5
commit f9fcfc562e
1 changed files with 40 additions and 19 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

59
interfaces/python/ck2cti.py
View file

@ -809,6 +809,27 @@ def fortFloat(s):
return float(s)
def get_index(seq, value):
"""
Find the first location in *seq* which contains a case-insensitive,
whitespace-insensitive match for *value*. Returns *None* if no match is
found.
"""
if isinstance(seq, str):
seq = seq.split()
value = value.lower().strip()
for i,item in enumerate(seq):
if item.lower() == value:
return i
return None
def contains(seq, value):
if isinstance(seq, str):
return value.lower() in seq.lower()
else:
return get_index(seq, value) is not None
class Parser(object):
def __init__(self):
self.processed_units = False
@ -1300,32 +1321,32 @@ class Parser(object):
line = line.strip()
tokens = line.split()
if 'ELEMENTS' in line:
index = tokens.index('ELEMENTS')
if contains(line, 'ELEMENTS'):
index = get_index(tokens, 'ELEMENTS')
tokens = tokens[index+1:]
while 'END' not in tokens:
while not contains(line, 'END'):
line = f.readline()
line = removeCommentFromLine(line)[0]
line = line.strip()
tokens.extend(line.split())
for token in tokens:
if token == 'END':
if token.upper() == 'END':
break
self.elements.append(token.capitalize())
elif 'SPECIES' in line:
elif contains(line, 'SPECIES'):
# List of species identifiers
index = tokens.index('SPECIES')
index = get_index(tokens, 'SPECIES')
tokens = tokens[index+1:]
while 'END' not in tokens:
while not contains(line, 'END'):
line = f.readline()
line = removeCommentFromLine(line)[0]
line = line.strip()
tokens.extend(line.split())
for token in tokens:
if token == 'END':
if token.upper() == 'END':
break
if token in self.speciesDict:
species = self.speciesDict[token]
@ -1334,11 +1355,11 @@ class Parser(object):
self.speciesDict[token] = species
self.speciesList.append(species)
elif 'THERM' in line.upper() and 'NASA9' in line:
elif contains(line, 'THERM') and contains(line, 'NASA9'):
entryPosition = 0
entryLength = None
entry = []
while not line.startswith('END'):
while not get_index(line, 'END') == 0:
line = f.readline()
line = removeCommentFromLine(line)[0]
if not line:
@ -1377,12 +1398,12 @@ class Parser(object):
entryPosition += 1
elif 'THERM' in line:
elif contains(line, 'THERM'):
# List of thermodynamics (hopefully one per species!)
line = f.readline()
TintDefault = float(line.split()[1])
thermo = ''
while line != '' and 'END' not in line:
while not contains(line, 'END'):
line = removeCommentFromLine(line)[0]
if len(line) >= 80 and line[79] in ['1', '2', '3', '4']:
thermo += line
@ -1397,13 +1418,13 @@ class Parser(object):
thermo = ''
line = f.readline()
elif 'REACTIONS' in line:
elif contains(line, 'REACTIONS'):
# Reactions section
energyUnits = 'CAL/MOL'
moleculeUnits = 'MOLES'
try:
energyUnits = tokens[1]
moleculeUnits = tokens[2]
energyUnits = tokens[1].upper()
moleculeUnits = tokens[2].upper()
except IndexError:
pass
@ -1423,7 +1444,7 @@ class Parser(object):
comments = ''
line = f.readline()
while line != '' and 'END' not in line:
while line and not contains(line, 'END'):
lineStartsWithComment = line.startswith('!')
line, comment = removeCommentFromLine(line)
@ -1476,9 +1497,9 @@ class Parser(object):
if revReaction is not None:
self.reactions.append(revReaction)
elif 'TRAN' in line:
elif contains(line, 'TRAN'):
line = f.readline()
while 'END' not in line:
while not contains(line, 'END'):
transportLines.append(line)
line = f.readline()
@ -1515,7 +1536,7 @@ class Parser(object):
line = line.strip()
if not line or line.startswith('!'):
continue
if line.startswith('END'):
if get_index(line, 'END') == 0:
break
data = line.split()