#include <RDGeneral/export.h>
#include <GraphMol/RWMol.h>
#include <GraphMol/SanitException.h>
#include <string>
#include <exception>
#include <map>
Go to the source code of this file.
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RDKIT_SMILESPARSE_EXPORT RWMol * | RDKit::SmilesToMol (const std::string &smi, const SmilesParserParams ¶ms) |
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RDKIT_SMILESPARSE_EXPORT Atom * | RDKit::SmilesToAtom (const std::string &smi) |
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RDKIT_SMILESPARSE_EXPORT Bond * | RDKit::SmilesToBond (const std::string &smi) |
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RWMol * | RDKit::SmilesToMol (const std::string &smi, int debugParse=0, bool sanitize=true, std::map< std::string, std::string > *replacements=0) |
| Construct a molecule from a SMILES string. More...
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RDKIT_SMILESPARSE_EXPORT RWMol * | RDKit::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. More...
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RDKIT_SMILESPARSE_EXPORT Atom * | RDKit::SmartsToAtom (const std::string &sma) |
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RDKIT_SMILESPARSE_EXPORT Bond * | RDKit::SmartsToBond (const std::string &sma) |
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std::unique_ptr< RDKit::RWMol > | RDKit::operator"" _smiles (const char *text, size_t len) |
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std::unique_ptr< RDKit::RWMol > | RDKit::operator"" _smarts (const char *text, size_t len) |
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