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Fixed some parsing issues in ck2cti.py

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This commit is contained in:
Ray Speth 2012-03-30 23:48:44 +00:00
parent e4b804b208
commit 382c4bd02e
1 changed files with 38 additions and 22 deletions
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60
interfaces/python/ck2cti.py
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@ -367,8 +367,6 @@ class Reaction(object):
################################################################################
################################################################################
class KineticsModel(object):
"""
A base class for kinetics models, containing several attributes common to
@ -1146,7 +1144,19 @@ class TransportData(object):
################################################################################
def readThermoEntry(entry):
def fortFloat(s):
"""
Convert a string representation of a floating point value to a float,
allowing for some of the peculiarities of allowable Fortran representations.
"""
s = s.strip()
s = s.replace('D', 'E').replace('d', 'e')
s = s.replace('E ', 'E+').replace('e ', 'e+')
return float(s)
################################################################################
def readThermoEntry(entry, TintDefault):
"""
Read a thermodynamics `entry` for one species in a Chemkin file. Returns
the label of the species, the thermodynamics model as a :class:`MultiNASA`
@ -1164,27 +1174,30 @@ def readThermoEntry(entry):
# Extract the NASA polynomial coefficients
# Remember that the high-T polynomial comes first!
try:
Tmin = float(lines[0][45:55].strip())
Tmax = float(lines[0][55:65].strip())
Tint = float(lines[0][65:75].strip())
Tmin = fortFloat(lines[0][45:55])
Tmax = fortFloat(lines[0][55:65])
try:
Tint = fortFloat(lines[0][65:75])
except ValueError:
Tint = TintDefault
a0_high = float(lines[1][0:15].strip())
a1_high = float(lines[1][15:30].strip())
a2_high = float(lines[1][30:45].strip())
a3_high = float(lines[1][45:60].strip())
a4_high = float(lines[1][60:75].strip())
a0_high = fortFloat(lines[1][0:15])
a1_high = fortFloat(lines[1][15:30])
a2_high = fortFloat(lines[1][30:45])
a3_high = fortFloat(lines[1][45:60])
a4_high = fortFloat(lines[1][60:75])
a5_high = float(lines[2][0:15].strip())
a6_high = float(lines[2][15:30].strip())
a0_low = float(lines[2][30:45].strip())
a1_low = float(lines[2][45:60].strip())
a2_low = float(lines[2][60:75].strip())
a5_high = fortFloat(lines[2][0:15])
a6_high = fortFloat(lines[2][15:30])
a0_low = fortFloat(lines[2][30:45])
a1_low = fortFloat(lines[2][45:60])
a2_low = fortFloat(lines[2][60:75])
a3_low = float(lines[3][0:15].strip())
a4_low = float(lines[3][15:30].strip())
a5_low = float(lines[3][30:45].strip())
a6_low = float(lines[3][45:60].strip())
except (IndexError, ValueError):
a3_low = fortFloat(lines[3][0:15])
a4_low = fortFloat(lines[3][15:30])
a5_low = fortFloat(lines[3][30:45])
a6_low = fortFloat(lines[3][45:60])
except (IndexError, ValueError) as err:
raise ChemkinError('Error while reading thermo entry for species {0}'.format(species))
elements = lines[0][24:44]
@ -1494,6 +1507,7 @@ def loadChemkinFile(path, speciesList=None):
elif 'THERM' in line:
# List of thermodynamics (hopefully one per species!)
line = f.readline()
TintDefault = float(line.split()[1])
thermo = ''
while line != '' and 'END' not in line:
line = removeCommentFromLine(line)[0]
@ -1501,7 +1515,7 @@ def loadChemkinFile(path, speciesList=None):
if line[79] in ['1', '2', '3', '4']:
thermo += line
if line[79] == '4':
label, thermo, comp, note = readThermoEntry(thermo)
label, thermo, comp, note = readThermoEntry(thermo, TintDefault)
try:
speciesDict[label].thermo = thermo
speciesDict[label].composition = comp
@ -1625,6 +1639,8 @@ def parseTransportData(lines, speciesList):
line = line.strip()
if not line or line.startswith('!'):
continue
if line.startswith('END'):
break
data = line.split()
if len(data) < 7: