RDKit: SmilesParse.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Functions
SmilesParse.h File Reference
`#include <RDGeneral/export.h>`
`#include <GraphMol/SanitException.h>`
`#include <string>`
`#include <exception>`
`#include <map>`
`#include <memory>`

Go to the source code of this file.

## Classes
class | RDKit::SmilesParse::SmilesParseException
struct | RDKit::v2::SmilesParse::SmilesParserParams
struct | RDKit::v2::SmilesParse::SmartsParserParams
struct | RDKit::v1::SmilesParserParams
struct | RDKit::v1::SmartsParserParams
class | RDKit::v2::SmilesParse::SmilesParseException
class | RDKit::v1::SmilesParseException

## Namespaces
namespace | RDKit
| Std stuff.
namespace | RDKit::SmilesParse
namespace | RDKit::v2
namespace | RDKit::v2::SmilesParse
namespace | RDKit::v1

## Functions
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > | RDKit::v2::SmilesParse::MolFromSmiles (const std::string &smi, const SmilesParserParams &params=SmilesParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > | RDKit::v2::SmilesParse::MolFromSmarts (const std::string &sma, const SmartsParserParams &params=SmartsParserParams())
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > | RDKit::v2::SmilesParse::AtomFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > | RDKit::v2::SmilesParse::BondFromSmiles (const std::string &smi)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > | RDKit::v2::SmilesParse::AtomFromSmarts (const std::string &sma)
RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > | RDKit::v2::SmilesParse::BondFromSmarts (const std::string &sma)
RDKit::RWMol * | RDKit::v1::SmilesToMol (const std::string &smi, const SmilesParserParams &ps)
Atom * | RDKit::v1::SmilesToAtom (const std::string &smi)
Bond * | RDKit::v1::SmilesToBond (const std::string &smi)
RWMol * | RDKit::v1::SmilesToMol (const std::string &smi, int debugParse=0, bool sanitize=true, std::map< std::string, std::string > *replacements=nullptr)
| Construct a molecule from a SMILES string.
RWMol * | RDKit::v1::SmartsToMol (const std::string &sma, const SmartsParserParams &ps)
RWMol * | RDKit::v1::SmartsToMol (const std::string &sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=nullptr)
| Construct a molecule from a SMARTS string.
Atom * | RDKit::v1::SmartsToAtom (const std::string &sma)
Bond * | RDKit::v1::SmartsToBond (const std::string &sma)
std::unique_ptr< RDKit::RWMol > | RDKit::operator""_smiles (const char *text, size_t len)
std::unique_ptr< RDKit::RWMol > | RDKit::operator""_smarts (const char *text, size_t len)