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RDKit
Open-source cheminformatics and machine learning.
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The Uncharger class for neutralizing ionized acids and bases. More...
#include <Charge.h>
Public Member Functions | |
Uncharger () | |
Uncharger (bool canonicalOrdering) | |
Uncharger (const Uncharger &other) | |
~Uncharger () | |
ROMol * | uncharge (const ROMol &mol) |
void | unchargeInPlace (RWMol &mol) |
The Uncharger class for neutralizing ionized acids and bases.
Notes:
RDKit::MolStandardize::Uncharger::Uncharger | ( | ) |
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inline |
RDKit::MolStandardize::Uncharger::~Uncharger | ( | ) |