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bool OEParseSmarts(OEQMolBase &qmol, const char *smarts,
unsigned int opt=OESmartsParseOpts::Default)
bool OEParseSmarts(OEQMolBase &qmol, const char *smarts,
const OEVectorBindings &vecbind,
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.
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