RDKit: Validate.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Typedefs | Functions
Validate.h File Reference
`#include <RDGeneral/export.h>`
`#include <GraphMol/RDKitBase.h>`
`#include <GraphMol/ROMol.h>`
`#include <GraphMol/Atom.h>`
`#include <exception>`
`#include <string>`
`#include <utility>`
`#include <vector>`

Go to the source code of this file.

## Classes
class | RDKit::MolStandardize::ValidationMethod
class | RDKit::MolStandardize::CompositeValidation
| The CompositeValidation class provides a simple way to apply a collection of. More...
class | RDKit::MolStandardize::RDKitValidation
class | RDKit::MolStandardize::NoAtomValidation
| MolVS Validations. More...
class | RDKit::MolStandardize::FragmentValidation
| The FragmentValidation class logs if certain fragments are present. More...
class | RDKit::MolStandardize::NeutralValidation
| The NeutralValidation class logs if not an overall neutral system. More...
class | RDKit::MolStandardize::IsotopeValidation
| The IsotopeValidation class logs if molecule contains isotopes. More...
class | RDKit::MolStandardize::MolVSValidation
class | RDKit::MolStandardize::AllowedAtomsValidation
class | RDKit::MolStandardize::DisallowedAtomsValidation
class | RDKit::MolStandardize::DisallowedRadicalValidation
class | RDKit::MolStandardize::FeaturesValidation
class | RDKit::MolStandardize::Is2DValidation
class | RDKit::MolStandardize::Layout2DValidation
class | RDKit::MolStandardize::StereoValidation

## Namespaces
namespace | RDKit
| Std stuff.
namespace | RDKit::MolStandardize

## Typedefs
using | RDKit::MolStandardize::ValidationErrorInfo = std::string

## Functions
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< ValidationErrorInfo > | RDKit::MolStandardize::validateSmiles (const std::string &smiles)
| A convenience function for quickly validating a single SMILES string.

## Detailed Description

    \brief Defines the ValidationErrorInfo class and four different

validation methods: RDKitValidation, MolVSValidation, AllowedAtomsValidation, DisallowedAtomsValidation.

Definition in file Validate.h.