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RDKit
Open-source cheminformatics and machine learning.
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#include <MolFragmenter.h>
Public Attributes | |
MolzipLabel | label = MolzipLabel::AtomMapNumber |
std::vector< std::string > | atomSymbols |
bool | enforceValenceRules =true |
Definition at line 106 of file MolFragmenter.h.
std::vector<std::string> RDKit::MolzipParams::atomSymbols |
Definition at line 108 of file MolFragmenter.h.
bool RDKit::MolzipParams::enforceValenceRules =true |
Definition at line 109 of file MolFragmenter.h.
MolzipLabel RDKit::MolzipParams::label = MolzipLabel::AtomMapNumber |
Definition at line 107 of file MolFragmenter.h.