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Anonymous committed 9fb9437

fixed a couple of SMARTS typos I had inadvertantly introduced.
Made the #define for the C helper be conditionally defined

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  • Parent commits a59870a

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substruct_keys.cpp

 static OESubSearch bit_416("[c,C]=,:[c,C]");  // C=C
 static OESubSearch bit_417("[c,C]#[c,C]");  // C#C
 static OESubSearch bit_418("[c,C]=,:[n,N]");  // C=N
-static OESubSearch bit_419("[n,N]");  // C#N
+static OESubSearch bit_419("[c,C]#[n,N]");  // C#N
 static OESubSearch bit_420("[c,C]=,:[o,O]");  // C=O
 static OESubSearch bit_421("[c,C]=,:[s,S]");  // C=S
 static OESubSearch bit_422("[n,N]=,:[n,N]");  // N=N
 static OESubSearch bit_424("[n,N]=,:[p,P]");  // N=P
 static OESubSearch bit_425("[p,P]=,:[o,O]");  // P=O
 static OESubSearch bit_426("[p,P]=,:[p,P]");  // P=P
-static OESubSearch bit_427("[6]#[c,C]-,:[c,C]");  // C(#C)(-C)
+static OESubSearch bit_427("[#6]#[c,C]-,:[c,C]");  // C(#C)(-C)
 static OESubSearch bit_428("[#6;!H0]#[#6]");  // C(#C)(-H)
 static OESubSearch bit_429("[#7]#[c,C]-,:[c,C]");  // C(#N)(-C)
 static OESubSearch bit_430("[c,C](-,:[c,C])(-,:[c,C])(=,:[c,C])");  // C(-C)(-C)(=C)
 
 
 } // end of namespace Cyclops
-#if 0
+#ifdef C_HELPER
 // Helper function for testing
 extern "C" {
-  int substruct_fp(const char *smiles,
-                            unsigned char *fp) {
+  int cyclops_substruct_fp(const char *smiles,
+                           unsigned char *fp) {
     OEGraphMol mol;
     if (!OEParseSmiles(mol, smiles)) {
       return 0;