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RDKit
Open-source cheminformatics and machine learning.
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The Normalizer class for applying Normalization transforms. More...
#include <Normalize.h>
Classes | |
struct | Product |
Public Member Functions | |
Normalizer () | |
Normalizer (const std::string normalizeFile, const unsigned int maxRestarts) | |
Construct a Normalizer with a particular normalizeFile and maxRestarts. More... | |
Normalizer (const Normalizer &other)=delete | |
making Normalizer objects non-copyable More... | |
Normalizer & | operator= (Normalizer const &)=delete |
~Normalizer () | |
ROMol * | normalize (const ROMol &mol) |
The Normalizer class for applying Normalization transforms.
Notes:
Definition at line 46 of file Normalize.h.
RDKit::MolStandardize::Normalizer::Normalizer | ( | ) |
RDKit::MolStandardize::Normalizer::Normalizer | ( | const std::string | normalizeFile, |
const unsigned int | maxRestarts | ||
) |
Construct a Normalizer with a particular normalizeFile and maxRestarts.
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delete |
making Normalizer objects non-copyable
RDKit::MolStandardize::Normalizer::~Normalizer | ( | ) |
Apply a series of Normalization transforms to correct functional groups and recombine charges.
Notes:
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delete |