OEParseSmartsΒΆ

bool OEParseSmarts(OEQMolBase &, const char *,
                   unsigned int opt=OESmartsParseOpts::Default)
bool OEParseSmarts(OEQMolBase &, const char *, const OEVectorBindings &vb,
                   unsigned int opt=OESmartsParseOpts::Default)

These functions take a SMARTS string represented as a pointer to a constant character string passed as the second argument to the function, parse the string, and populate the query molecule passed as the first function argument. If the SMARTS string passed to the function is valid and is parsed correctly the function will return a boolean value of true. If the SMILES string is invalid, or any failure occurs during the process of parsing, the function will return a boolean value of false. The second of the two methods provides a mechanism for parsing a SMARTS pattern that contains vector bindings. An OEVectorBindings object containing the complete set of possible vector bindings that may be contained in a SMARTS pattern, including recursive vector bindings, and passed to the OEParseSmarts function. Vector bindings will be resolved while the SMARTS pattern is being parsed. The final argument is currently unused, but allows for future extension and control of the SMARTS parser.