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().

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

• Enumerate.h