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RDKit
Open-source cheminformatics and machine learning.
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#include <Chirality.h>
Public Member Functions | |
| bool | operator== (const StereoInfo &other) const |
| bool | operator!= (const StereoInfo &other) const |
Public Attributes | |
| StereoType | type = StereoType::Unspecified |
| StereoSpecified | specified = StereoSpecified::Unspecified |
| unsigned | centeredOn = NOATOM |
| StereoDescriptor | descriptor = StereoDescriptor::None |
| unsigned | permutation = 0 |
| std::vector< unsigned > | controllingAtoms |
Static Public Attributes | |
| static const unsigned | NOATOM |
Definition at line 105 of file Chirality.h.
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inline |
Definition at line 126 of file Chirality.h.
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inline |
Definition at line 120 of file Chirality.h.
References centeredOn, controllingAtoms, descriptor, permutation, specified, and type.
| unsigned RDKit::Chirality::StereoInfo::centeredOn = NOATOM |
Definition at line 115 of file Chirality.h.
Referenced by operator==().
| std::vector<unsigned> RDKit::Chirality::StereoInfo::controllingAtoms |
Definition at line 118 of file Chirality.h.
Referenced by operator==().
| StereoDescriptor RDKit::Chirality::StereoInfo::descriptor = StereoDescriptor::None |
Definition at line 116 of file Chirality.h.
Referenced by operator==().
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static |
Definition at line 111 of file Chirality.h.
| unsigned RDKit::Chirality::StereoInfo::permutation = 0 |
Definition at line 117 of file Chirality.h.
Referenced by operator==().
| StereoSpecified RDKit::Chirality::StereoInfo::specified = StereoSpecified::Unspecified |
Definition at line 114 of file Chirality.h.
Referenced by operator==().
| StereoType RDKit::Chirality::StereoInfo::type = StereoType::Unspecified |
Definition at line 113 of file Chirality.h.
Referenced by operator==().