From f1e5183431480d19c977edd5bfff743cd6614af2 Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Mon, 8 Jul 2013 01:35:15 +0000
Subject: [PATCH] [ck2cti] Fix to allow species names starting with special
 characters

---
 interfaces/python/ck2cti.py | 10 ++++++++--
 test/data/species-names.inp | 27 +++++++++++++++++++++++++++
 test/python/testConvert.py  | 16 ++++++++++++++++
 3 files changed, 51 insertions(+), 2 deletions(-)
 create mode 100644 test/data/species-names.inp

diff --git a/interfaces/python/ck2cti.py b/interfaces/python/ck2cti.py
index f916c6baf..a0462dbc0 100755
--- a/interfaces/python/ck2cti.py
+++ b/interfaces/python/ck2cti.py
@@ -807,6 +807,12 @@ def fortFloat(s):
     s = s.replace('E ', 'E+').replace('e ', 'e+')
     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
 
 def get_index(seq, value):
     """
@@ -1064,10 +1070,10 @@ class Parser(object):
 
             for term in expression.split('+'):
                 term = term.strip()
-                if not term[0].isalpha():
+                if isnumberlike(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 c.isalpha()][0]
+                    j = [i for i,c in enumerate(term) if not isnumberlike(c)][0]
                     if term[:j].isdigit():
                         stoichiometry = int(term[:j])
                     else:
diff --git a/test/data/species-names.inp b/test/data/species-names.inp
new file mode 100644
index 000000000..5cc1932d4
--- /dev/null
+++ b/test/data/species-names.inp
@@ -0,0 +1,27 @@
+Elements
+H  C
+End
+SPECIES
+(Parens)  @#$%^-2  [xy2]*{.}
+end
+
+thermo
+    300.000  1000.000  5000.000
+(Parens)                C   1H   4          G   200.000  3500.000  1000.000    1
+ 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13    2
+-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05    3
+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+@#$%^-2                 C   1H   4          G   200.000  3500.000  1000.000    1
+ 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13    2
+-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05    3
+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+[xy2]*{.}               C   1H   4          G   200.000  3500.000  1000.000    1
+ 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13    2
+-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05    3
+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+end
+
+reactions
+(Parens) + @#$%^-2 = 2 [xy2]*{.}      1.2345e12  1.0  200.0
+2(Parens) + [xy2]*{.} = 3@#$%^-2   5.4321e10  1.0  500.0
+end
diff --git a/test/python/testConvert.py b/test/python/testConvert.py
index 28a50bdf4..cb700b6dc 100644
--- a/test/python/testConvert.py
+++ b/test/python/testConvert.py
@@ -100,6 +100,22 @@ class chemkinConverterTest(utilities.CanteraTest):
                                               outName='h2o2_missingThermo.cti',
                                               quiet=True))
 
+    def test_pathologicalSpeciesNames(self):
+        convertMech('../data/species-names.inp',
+                    outName='species-names.cti', quiet=True)
+        gas = ct.IdealGasMix('species-names.cti')
+
+        self.assertEqual(gas.nSpecies(), 3)
+        self.assertEqual(gas.speciesName(0), '(Parens)')
+        self.assertEqual(gas.speciesName(1), '@#$%^-2')
+        self.assertEqual(gas.speciesName(2), '[xy2]*{.}')
+
+        self.assertEqual(gas.nReactions(), 2)
+        nu = gas.productStoichCoeffs() - gas.reactantStoichCoeffs()
+        self.assertEqual(list(nu[:,0]), [-1, -1, 2])
+        self.assertEqual(list(nu[:,1]), [-2, 3, -1])
+
+
     def test_nasa9(self):
         convertMech('../data/nasa9-test.inp',
                     thermoFile='../data/nasa9-test-therm.dat',