RDKit::ScaffoldNetwork::ScaffoldNetwork Struct Reference

#include <ScaffoldNetwork.h>

Public Member Functions
	ScaffoldNetwork ()

Public Attributes
std::vector< std::string >	nodes
	SMILES for the scaffolds.
std::vector< unsigned >	counts
	number of times each scaffold was encountered
std::vector< unsigned >	molCounts
	number of molecules each scaffold was found in
std::vector< NetworkEdge >	edges
	edges in the network

Detailed Description

Definition at line 103 of file ScaffoldNetwork.h.

Constructor & Destructor Documentation

ScaffoldNetwork()

RDKit::ScaffoldNetwork::ScaffoldNetwork::ScaffoldNetwork ( )

inline

Definition at line 110 of file ScaffoldNetwork.h.

Member Data Documentation

counts

std::vector<unsigned> RDKit::ScaffoldNetwork::ScaffoldNetwork::counts

number of times each scaffold was encountered

Definition at line 106 of file ScaffoldNetwork.h.

edges

std::vector<NetworkEdge> RDKit::ScaffoldNetwork::ScaffoldNetwork::edges

edges in the network

Definition at line 109 of file ScaffoldNetwork.h.

molCounts

std::vector<unsigned> RDKit::ScaffoldNetwork::ScaffoldNetwork::molCounts

number of molecules each scaffold was found in

Definition at line 108 of file ScaffoldNetwork.h.

nodes

std::vector<std::string> RDKit::ScaffoldNetwork::ScaffoldNetwork::nodes

SMILES for the scaffolds.

Definition at line 104 of file ScaffoldNetwork.h.

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The documentation for this struct was generated from the following file:

• ScaffoldNetwork.h