From d6a3ea4aa7dbc310b3707a58f655d6beceeff0bf Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Wed, 7 May 2014 21:57:22 +0000
Subject: [PATCH] [ck2cti] Allow stoichiometric coefficients ending in decimal
 points

Fixes Issue 220.
---
 interfaces/cython/cantera/ck2cti.py            | 17 +++++++++--------
 interfaces/cython/cantera/test/test_convert.py | 13 +++++++++++++
 test/data/float-stoich.inp                     | 12 ++++++++++++
 3 files changed, 34 insertions(+), 8 deletions(-)
 create mode 100644 test/data/float-stoich.inp

diff --git a/interfaces/cython/cantera/ck2cti.py b/interfaces/cython/cantera/ck2cti.py
index 924f013cc..ab8a89bb9 100644
--- a/interfaces/cython/cantera/ck2cti.py
+++ b/interfaces/cython/cantera/ck2cti.py
@@ -40,9 +40,6 @@ import numpy as np
 import re
 import itertools
 
-reFloat = re.compile(r'\+?\d*\.?\d+([eEdD][-+]?\d+)?$')
-reInt = re.compile(r'\+?\d+$')
-
 QUANTITY_UNITS = {'MOL': 'mol',
                   'MOLE': 'mol',
                   'MOLES': 'mol',
@@ -1086,12 +1083,16 @@ class Parser(object):
             j = reaction.find(token)
             i = len(token)
             reaction = reaction[:j] + ' '*i + reaction[j+i:]
-            if reInt.match(token):
+            if token == '+':
+                continue
+
+            try:
                 locs[j] = int(token), 'coeff'
-            elif reFloat.match(token):
-                locs[j] = float(token), 'coeff'
-            elif token != '+':
-                raise InputParseError('Unexpected token "{0}" in reaction expression "{1}".'.format(token, reaction))
+            except ValueError:
+                try:
+                    locs[j] = float(token), 'coeff'
+                except ValueError:
+                    raise InputParseError('Unexpected token "{0}" in reaction expression "{1}".'.format(token, reaction))
 
         reactants = []
         products = []
diff --git a/interfaces/cython/cantera/test/test_convert.py b/interfaces/cython/cantera/test/test_convert.py
index b855ee7e8..0e1c83e61 100644
--- a/interfaces/cython/cantera/test/test_convert.py
+++ b/interfaces/cython/cantera/test/test_convert.py
@@ -251,6 +251,19 @@ class chemkinConverterTest(utilities.CanteraTest):
         self.checkKinetics(default, custom,
                            [300, 800, 1450, 2800], [5e3, 1e5, 2e6], 1e-7)
 
+    def test_float_stoich_coeffs(self):
+        convertMech('../data/float-stoich.inp',
+                    thermoFile='../data/dummy-thermo.dat',
+                    outName='float-stoich.cti', quiet=True)
+        gas = ct.Solution('float-stoich.cti')
+
+        R = gas.reactant_stoich_coeffs()
+        P = gas.product_stoich_coeffs()
+        self.assertArrayNear(R[:,0], [0, 1.5, 0.5, 0])
+        self.assertArrayNear(P[:,0], [1, 0, 0, 1])
+        self.assertArrayNear(R[:,1], [1, 0, 0, 1])
+        self.assertArrayNear(P[:,1], [0, 0.33, 1.67, 0])
+
     def test_transport_normal(self):
         convertMech('../../data/inputs/h2o2.inp',
                     transportFile='../../data/transport/gri30_tran.dat',
diff --git a/test/data/float-stoich.inp b/test/data/float-stoich.inp
new file mode 100644
index 000000000..2d75a4564
--- /dev/null
+++ b/test/data/float-stoich.inp
@@ -0,0 +1,12 @@
+ELEMENTS
+H  C
+END
+
+SPECIES
+H R1A R1B P1
+END
+
+REACTIONS
+1.5R1A+.5R1B => 1.H+P1              1e12  0.0  20000.0
+1.0H+1.P1=>.33R1A+1.67R1B           5e13 -2.0  5000.0
+END