34 #ifndef __RD_SLNPARSE_H__ 35 #define __RD_SLNPARSE_H__ 48 RWMol *
SLNToMol(std::string smi,
bool sanitize=
true,
int debugParse=0);
50 RWMol *
SLNQueryToMol(std::string smi,
bool mergeHs=
true,
int debugParse=0);
56 const char *
message ()
const {
return _msg.c_str(); };
SLNParseException(const std::string msg)
const char * message() const
void finalizeQueryMol(ROMol *mol, bool mergeHs)
RWMol * SLNQueryToMol(std::string smi, bool mergeHs=true, int debugParse=0)
RWMol * SLNToMol(std::string smi, bool sanitize=true, int debugParse=0)
Includes a bunch of functionality for handling Atom and Bond queries.
SLNParseException(const char *msg)