34 #ifndef __RD_SLNPARSE_H__ 35 #define __RD_SLNPARSE_H__ 48 RWMol *
SLNToMol(
const std::string &smi,
bool sanitize =
true,
51 RWMol *
SLNQueryToMol(
const std::string &smi,
bool mergeHs =
true,
58 const char *
message()
const {
return _msg.c_str(); };
const char * message() const
SLNParseException(const std::string &msg)
void finalizeQueryMol(ROMol *mol, bool mergeHs)
RWMol * SLNToMol(const std::string &smi, bool sanitize=true, int debugParse=0)
RWMol * SLNQueryToMol(const std::string &smi, bool mergeHs=true, int debugParse=0)
SLNParseException(const char *msg)