#include <string>
#include <exception>
#include <map>
Go to the source code of this file.
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| RDKit |
| Includes a bunch of functionality for handling Atom and Bond queries.
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RWMol * | RDKit::SmilesToMol (std::string smi, int debugParse=0, bool sanitize=1, std::map< std::string, std::string > *replacements=0) |
| Construct a molecule from a SMILES string. More...
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RWMol * | RDKit::SmartsToMol (std::string sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=0) |
| Construct a molecule from a SMARTS string. More...
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