FeatTreeUtils.h File Reference

No user-serviceable parts inside. More...

#include "FeatTree.h"
#include <vector>

Go to the source code of this file.

Namespaces

namespace  RDKit
namespace  RDKit::FeatTrees

Typedefs

typedef std::vector
< int > 
RDKit::INT_VECT

Functions

void RDKit::FeatTrees::addRingsAndConnectors (const ROMol &mol, FeatTreeGraph &featGraph)
void RDKit::FeatTrees::addRingRingBonds (const ROMol &mol, FeatTreeGraph &featGraph)
std::vector
< unsigned int > 
RDKit::FeatTrees::addNonringAtoms (const ROMol &mol, FeatTreeGraph &featGraph)
void RDKit::FeatTrees::addBondsFromNonringAtoms (const ROMol &mol, FeatTreeGraph &featGraph, std::vector< unsigned int > &atomIndices)
void RDKit::FeatTrees::addZeroNodes (FeatTreeGraph &featGraph)
void RDKit::FeatTrees::replaceCycles (FeatTreeGraph &featGraph)


Detailed Description

No user-serviceable parts inside.

This functionality is used in the construction of feature trees from molecules. It's exposed here so that it can be tested.

Definition in file FeatTreeUtils.h.


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