ck2cti.py supports extended format for large molecule compositions

This extension places extra elemental composition data at the end of the first
line of the thermo data. See 'soot.inp' for an example.
This commit is contained in:
Ray Speth 2012-07-26 20:48:58 +00:00
parent a0c4da3e44
commit b29438eb6d

View file

@ -885,6 +885,13 @@ def readThermoEntry(entry, TintDefault):
elements = lines[0][24:44]
composition = parseComposition(elements, 4, 5)
# Non-standard extended elemental composition data may be located beyond
# column 80 on the first line of the thermo entry
if len(lines[0]) > 80:
elements = lines[0][80:]
composition2 = parseComposition(elements, len(elements)/10, 10)
composition.update(composition2)
# Construct and return the thermodynamics model
thermo = MultiNASA(
polynomials = [