Fix duplicate key check in parseCompString

The check was being done at a stage where the token being checked could be just a part of a key (if the key contained a colon), where this partial key could correspond to another valid key. Fixes #525
Cantera · Apr 13, 2018 · d091617 · d091617
1 parent 66ba4b5
commit d091617
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Showing 3 changed files with 27 additions and 18 deletions.
diff --git a/interfaces/cython/cantera/test/test_convert.py b/interfaces/cython/cantera/test/test_convert.py
@@ -142,28 +142,31 @@ def test_pathologicalSpeciesNames(self):
                     outName=pjoin(self.test_work_dir, 'species-names.cti'), quiet=True)
         gas = ct.Solution('species-names.cti')
 
-        self.assertEqual(gas.n_species, 8)
+        self.assertEqual(gas.n_species, 9)
         self.assertEqual(gas.species_name(0), '(Parens)')
         self.assertEqual(gas.species_name(1), '@#$%^-2')
         self.assertEqual(gas.species_index('co:lons:'), 2)
         self.assertEqual(gas.species_name(3), '[xy2]*{.}')
         self.assertEqual(gas.species_name(4), 'plus+')
         self.assertEqual(gas.species_name(5), 'eq=uals')
         self.assertEqual(gas.species_name(6), 'plus')
+        self.assertEqual(gas.species_name(7), 'trans_butene')
+        self.assertEqual(gas.species_name(8), 'co')
 
-        self.assertEqual(gas.n_reactions, 11)
+        self.assertEqual(gas.n_reactions, 12)
         nu = gas.product_stoich_coeffs() - gas.reactant_stoich_coeffs()
-        self.assertEqual(list(nu[:,0]), [-1, -1, 0, 2, 0, 0, 0, 0])
-        self.assertEqual(list(nu[:,1]), [-2, 3, 0, -1, 0, 0, 0, 0])
-        self.assertEqual(list(nu[:,2]), [-1, 0, 0, 0, 1, 0, 0, 0])
-        self.assertEqual(list(nu[:,3]), [3, 0, 0, 0, -2, -1, 0, 0])
-        self.assertEqual(list(nu[:,4]), [2, 0, 0, 0, -1, 0, -1, 0])
-        self.assertEqual(list(nu[:,5]), [1, 0, 0, 0, 1, -1, -1, 0])
-        self.assertEqual(list(nu[:,6]), [2, 0, -1, 0, 0, -1, 0, 0])
-        self.assertEqual(list(nu[:,7]), [0, 0, 0, 0, -1, 1, 0, 0])
-        self.assertEqual(list(nu[:,8]), [0, 0, 0, 0, -1, 1, 0, 0])
-        self.assertEqual(list(nu[:,9]), [0, 0, 0, 0, -1, 1, 0, 0])
-        self.assertEqual(list(nu[:,10]), [0, 0, -1, 0, 2, 0, 0, -1])
+        self.assertEqual(list(nu[:,0]), [-1, -1, 0, 2, 0, 0, 0, 0, 0])
+        self.assertEqual(list(nu[:,1]), [-2, 3, 0, -1, 0, 0, 0, 0, 0])
+        self.assertEqual(list(nu[:,2]), [-1, 0, 0, 0, 1, 0, 0, 0, 0])
+        self.assertEqual(list(nu[:,3]), [3, 0, 0, 0, -2, -1, 0, 0, 0])
+        self.assertEqual(list(nu[:,4]), [2, 0, 0, 0, -1, 0, -1, 0, 0])
+        self.assertEqual(list(nu[:,5]), [1, 0, 0, 0, 1, -1, -1, 0, 0])
+        self.assertEqual(list(nu[:,6]), [2, 0, -1, 0, 0, -1, 0, 0, 0])
+        self.assertEqual(list(nu[:,7]), [0, 0, 0, 0, -1, 1, 0, 0, 0])
+        self.assertEqual(list(nu[:,8]), [0, 0, 0, 0, -1, 1, 0, 0, 0])
+        self.assertEqual(list(nu[:,9]), [0, 0, 0, 0, -1, 1, 0, 0, 0])
+        self.assertEqual(list(nu[:,10]), [0, 0, -1, 0, 2, 0, 0, -1, 0])
+        self.assertEqual(list(nu[:,11]), [0, 0, -1, 0, 2, 0, 0, 0, -1])
 
     def test_unterminatedSections(self):
         with self.assertRaises(ck2cti.InputParseError):

diff --git a/src/base/stringUtils.cpp b/src/base/stringUtils.cpp
@@ -80,10 +80,6 @@ compositionMap parseCompString(const std::string& ss,
             throw CanteraError("parseCompString",
                 "unknown species '" + name + "'");
         }
-        if (getValue(x, name, 0.0) != 0.0) {
-            throw CanteraError("parseCompString",
-                               "Duplicate key: '" + name + "'.");
-        }
 
         double value;
         try {
@@ -105,6 +101,11 @@ compositionMap parseCompString(const std::string& ss,
                 throw;
             }
         }
+        if (getValue(x, name, 0.0) != 0.0) {
+            throw CanteraError("parseCompString",
+                               "Duplicate key: '" + name + "'.");
+        }
+
         x[name] = value;
         start = ss.find_first_not_of(", ;\n\t", stop+1);
         left = start;

diff --git a/test/data/species-names.inp b/test/data/species-names.inp
@@ -2,7 +2,7 @@ Elements
 H  C
 End
 SPEC
-(Parens)  @#$%^-2  co:lons: [xy2]*{.}  plus+ eq=uals plus trans_butene
+(Parens)  @#$%^-2  co:lons: [xy2]*{.}  plus+ eq=uals plus trans_butene co
 end
 
 thermo
@@ -19,6 +19,10 @@ co:lons:                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
+co                      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
@@ -56,5 +60,6 @@ LOW / 8.888e8   8.8   888.8 /
 plus+ (+plus+) = eq=uals  (+plus+)     9.999e9   9.9   999.9
 LOW / 8.888e8   8.8   888.8 /
 trans_butene + co:lons: = 2 plus+      9.999e9   9.9   999.9
+co + co:lons: = 2 plus+                 9.999e9   9.9   999.9
 
 end