RDKit: RDKit::EnumerationParams Struct Reference

| RDKit Open-source cheminformatics and machine learning.

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Public Member Functions | Public Attributes | List of all members
RDKit::EnumerationParams Struct Reference

`#include <Enumerate.h>`

## Public Member Functions
| EnumerationParams ()
| EnumerationParams (const EnumerationParams &rhs)

## Public Attributes
int | reagentMaxMatchCount {INT_MAX}
bool | sanePartialProducts {false}

## Detailed Description

This is a class for providing enumeration options that control how enumerations are performed.

Option reagentMaxMatchCount [default INT_MAX] This specifies how many times the reactant template can match a reagent.

sanePartialProducts [default false] If true, forces all products of the reagent plus the product templates
\ pass chemical sanitization. Note that if the product template itself
\ does not pass sanitization, then none of the products will.

Definition at line 60 of file Enumerate.h.

## Constructor & Destructor Documentation

## ◆ EnumerationParams() [1/2]

RDKit::EnumerationParams::EnumerationParams | ( |  | ) |
| inline

Definition at line 63 of file Enumerate.h.

Referenced by EnumerationParams().

## ◆ EnumerationParams() [2/2]

RDKit::EnumerationParams::EnumerationParams | ( | const EnumerationParams & | rhs | ) |
| inline

Definition at line 65 of file Enumerate.h.

References EnumerationParams(), reagentMaxMatchCount, and sanePartialProducts.

## Member Data Documentation

## ◆ reagentMaxMatchCount

int RDKit::EnumerationParams::reagentMaxMatchCount {INT_MAX}

Definition at line 61 of file Enumerate.h.

Referenced by EnumerationParams().

## ◆ sanePartialProducts

bool RDKit::EnumerationParams::sanePartialProducts {false}

Definition at line 62 of file Enumerate.h.

Referenced by EnumerationParams().

The documentation for this struct was generated from the following file:

- Enumerate.h