RDKit
Open-source cheminformatics and machine learning.
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Classes | |
class | RDKit::SLNParseException |
Namespaces | |
namespace | RDKit |
Std stuff. | |
namespace | RDKit::SLNParse |
Functions | |
RDKIT_SLNPARSE_EXPORT void | RDKit::SLNParse::finalizeQueryMol (ROMol *mol, bool mergeHs) |
void | RDKit::SLNParse::CleanupAfterParse (RWMol *mol) |
RDKIT_SLNPARSE_EXPORT RWMol * | RDKit::SLNToMol (const std::string &smi, bool sanitize=true, int debugParse=0) |
RDKIT_SLNPARSE_EXPORT RWMol * | RDKit::SLNQueryToMol (const std::string &smi, bool mergeHs=true, int debugParse=0) |