10 #ifndef _RD_SMILESPARSE_H_ 11 #define _RD_SMILESPARSE_H_ 103 const char *
message()
const {
return _msg.c_str(); };
RWMol is a molecule class that is intended to be edited.
RWMol * SmartsToMol(const std::string &sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=0)
Construct a molecule from a SMARTS string.
RWMol * SmilesToMol(const std::string &smi, const SmilesParserParams ¶ms)
SmilesParseException(const char *msg)
const char * message() const
SmilesParseException(const std::string msg)
std::map< std::string, std::string > * replacements