RDKit
Open-source cheminformatics and machine learning.
ReCharge.h File Reference
#include "StructChecker.h"
#include "Pattern.h"
#include "Utilites.h"

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Classes

class  RDKit::StructureCheck::ChargeFix
 

Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 
 RDKit::StructureCheck
 

Functions

int RDKit::StructureCheck::TotalCharge (const ROMol &mol)