RDKit: Enumerate.h File Reference

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Enumerate.h File Reference

Contains the public API of the for the reaction enumeration engine. More...

`#include "EnumerateBase.h"`

Go to the source code of this file.

## Classes
struct | RDKit::EnumerationParams
| This is a class for providing enumeration options that control. More...
class | RDKit::EnumerateLibrary
| This is a class for running reactions on sets of reagents. More...

## Namespaces
| RDKit
| Std stuff.

## Functions
EnumerationTypes::BBS | RDKit::removeNonmatchingReagents (const ChemicalReaction &rxn, EnumerationTypes::BBS bbs, const EnumerationParams &params=EnumerationParams())
| Helper function, remove reagents that are incompatible. More...
bool | RDKit::EnumerateLibraryCanSerialize ()

## Detailed Description

Contains the public API of the for the reaction enumeration engine.

Note that this should be considered beta and that the API may change in future releases.

Definition in file Enumerate.h.