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RDKit
Open-source cheminformatics and machine learning.
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This is a class for providing enumeration options that control. More...
#include <Enumerate.h>
Public Member Functions | |
EnumerationParams () | |
EnumerationParams (const EnumerationParams &rhs) | |
Public Attributes | |
int | reagentMaxMatchCount |
bool | sanePartialProducts |
This is a class for providing enumeration options that control.
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.
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inline |
Definition at line 63 of file Enumerate.h.
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inline |
Definition at line 66 of file Enumerate.h.
int RDKit::EnumerationParams::reagentMaxMatchCount |
Definition at line 61 of file Enumerate.h.
bool RDKit::EnumerationParams::sanePartialProducts |
Definition at line 62 of file Enumerate.h.