RDKit
Open-source cheminformatics and machine learning.
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#include <Sort.h>
Public Member Functions | |
Sort (const SequenceRule *comparator) | |
Sort (std::vector< const SequenceRule * > comparators) | |
const std::vector< const SequenceRule * > & | getRules () const |
Priority | prioritize (const Node *node, std::vector< Edge * > &edges, bool deep=true) const |
std::vector< std::vector< Edge * > > | getGroups (const std::vector< Edge * > &sorted) const |
A simple insertion sort for substituents. The number of substituents is not likely to be large enough that doing a merge sort would make a difference
RDKit::CIPLabeler::Sort::Sort | ( | const SequenceRule * | comparator | ) |
RDKit::CIPLabeler::Sort::Sort | ( | std::vector< const SequenceRule * > | comparators | ) |
std::vector< std::vector< Edge * > > RDKit::CIPLabeler::Sort::getGroups | ( | const std::vector< Edge * > & | sorted | ) | const |
const std::vector< const SequenceRule * > & RDKit::CIPLabeler::Sort::getRules | ( | ) | const |
Priority RDKit::CIPLabeler::Sort::prioritize | ( | const Node * | node, |
std::vector< Edge * > & | edges, | ||
bool | deep = true |
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) | const |