RDKit
Open-source cheminformatics and machine learning.
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#include <Abbreviations.h>
Public Member Functions | |
bool | operator== (const AbbreviationDefinition &other) const |
bool | operator!= (const AbbreviationDefinition &other) const |
Public Attributes | |
std::string | label |
std::string | displayLabel |
std::string | displayLabelW |
std::string | smarts |
std::shared_ptr< ROMol > | mol |
optional | |
std::vector< unsigned int > | extraAttachAtoms |
optional | |
Definition at line 24 of file Abbreviations.h.
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inline |
Definition at line 35 of file Abbreviations.h.
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inline |
Definition at line 31 of file Abbreviations.h.
References displayLabel, displayLabelW, label, and smarts.
std::string RDKit::Abbreviations::AbbreviationDefinition::displayLabel |
Definition at line 26 of file Abbreviations.h.
Referenced by operator==().
std::string RDKit::Abbreviations::AbbreviationDefinition::displayLabelW |
Definition at line 27 of file Abbreviations.h.
Referenced by operator==().
optional
Definition at line 30 of file Abbreviations.h.
std::string RDKit::Abbreviations::AbbreviationDefinition::label |
Definition at line 25 of file Abbreviations.h.
Referenced by operator==().
std::shared_ptr<ROMol> RDKit::Abbreviations::AbbreviationDefinition::mol |
optional
Definition at line 29 of file Abbreviations.h.
std::string RDKit::Abbreviations::AbbreviationDefinition::smarts |
Definition at line 28 of file Abbreviations.h.
Referenced by operator==().