RDKit
Open-source cheminformatics and machine learning.
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#include <Rule3.h>
Public Member Functions | |
Rule3 () | |
int | compare (const Edge *a, const Edge *b) const override |
Public Member Functions inherited from RDKit::CIPLabeler::SequenceRule | |
SequenceRule () | |
virtual | ~SequenceRule () |
Descriptor | getBondLabel (const Edge *edge) const |
int | getComparision (const Edge *a, const Edge *b) const |
virtual int | getComparision (const Edge *a, const Edge *b, bool deep) const |
virtual const Sort * | getSorter () const |
int | recursiveCompare (const Edge *a, const Edge *b) const |
void | setSorter (const Sort *sorter) |
Priority | sort (const Node *node, std::vector< Edge * > &edges, bool deep) const |
Priority | sort (const Node *node, std::vector< Edge * > &edges) const |
Additional Inherited Members | |
Protected Attributes inherited from RDKit::CIPLabeler::SequenceRule | |
std::unique_ptr< const Sort > | dp_sorter = nullptr |
Sequence Rule 3 "‘seqcis’ (‘Z’) precedes ‘seqtrans’ (‘E’) and this order precedes nonstereogenic double bonds"
RDKit::CIPLabeler::Rule3::Rule3 | ( | ) |
Implements RDKit::CIPLabeler::SequenceRule.