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[ck2cti] Partial support for scientific notation in stoichiometric coefficients

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This won't work for positive exponents, because the '+' will still be
interpreted as a delimiter between terms of the reaction expression.
This commit is contained in:
Ray Speth 2013-10-21 01:55:18 +00:00
parent 6d5b7999de
commit 94f1b35b79
2 changed files with 11 additions and 10 deletions
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15
interfaces/python/ck2cti.py
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@ -809,11 +809,12 @@ def fortFloat(s):
return float(s)
def isnumberlike(text):
""" Returns true if `text` contains only the digits 0-9 and '.' """
for char in text:
if not char.isdigit() and char != '.':
return False
return True
""" Returns true if `text` can be interpreted as a floating point number. """
try:
float(text)
return True
except ValueError:
return False
def get_index(seq, value):
"""
@ -1070,10 +1071,10 @@ class Parser(object):
for term in expression.split('+'):
term = term.strip()
if isnumberlike(term[0]):
if term[0].isdigit() or term[0] == '.':
# This allows for for non-unity stoichiometric coefficients, e.g.
# 2A=B+C or .85A+.15B=>C
j = [i for i,c in enumerate(term) if not isnumberlike(c)][0]
j = [i for i in range(len(term)) if isnumberlike(term[:i])][-1]
if term[:j].isdigit():
stoichiometry = int(term[:j])
else:

6
test/data/soot.inp
View file

@ -14,10 +14,10 @@ END
!
!
REACTIONS
C6H5+BIN5=>.9846153846BIN5+.0153846154BIN6+ 1.0769H2+H .562E+13 .500 .0
C6H5+BIN5=>.9846153846BIN5+1.53846154E-2BIN6+ 1.0769H2+H .562E+13 .500 .0
A1C2HJ2+BIN5=>.9794871795BIN5+.0205128205BIN6+ .7692H2+H .510E+13 .500 .0
C10H7J1+BIN5=>.9743589744BIN5+.0256410256BIN6+ 1.4615H2+H .472E+13 .500 .0
C10H7J2+BIN5=>.9743589744BIN5+.0256410256BIN6+ 1.4615H2+H .472E+13 .500 .0
C10H7J2+BIN5=>9.743589744E-1BIN5+.0256410256BIN6+ 1.4615H2+H .472E+13 .500 .0
A2CH2-1+BIN5=>.9717948718BIN5+.0282051282BIN6+ 2.3077H2+H .456E+13 .500 .0
A2CH2-2+BIN5=>.9717948718BIN5+.0282051282BIN6+ 2.3077H2+H .456E+13 .500 .0
END
END