RDKit::RascalMCES::RascalClusterOptions Struct Reference

#include <RascalClusterOptions.h>

Public Attributes
double	similarityCutoff = 0.7
double	a = 0.05
double	b = 2.0
unsigned int	minFragSize
double	minIntraClusterSim = 0.9
double	clusterMergeSim = 0.6
unsigned int	maxNumFrags = 2
int	numThreads = -1

Detailed Description

Definition at line 25 of file RascalClusterOptions.h.

Member Data Documentation

a

double RDKit::RascalMCES::RascalClusterOptions::a = 0.05

Definition at line 29 of file RascalClusterOptions.h.

b

double RDKit::RascalMCES::RascalClusterOptions::b = 2.0

Definition at line 30 of file RascalClusterOptions.h.

clusterMergeSim

double RDKit::RascalMCES::RascalClusterOptions::clusterMergeSim = 0.6

Definition at line 38 of file RascalClusterOptions.h.

maxNumFrags

unsigned int RDKit::RascalMCES::RascalClusterOptions::maxNumFrags = 2

Definition at line 41 of file RascalClusterOptions.h.

minFragSize

unsigned int RDKit::RascalMCES::RascalClusterOptions::minFragSize

Initial value:

=
      3

Definition at line 31 of file RascalClusterOptions.h.

minIntraClusterSim

double RDKit::RascalMCES::RascalClusterOptions::minIntraClusterSim = 0.9

Definition at line 34 of file RascalClusterOptions.h.

numThreads

int RDKit::RascalMCES::RascalClusterOptions::numThreads = -1

Definition at line 45 of file RascalClusterOptions.h.

similarityCutoff

double RDKit::RascalMCES::RascalClusterOptions::similarityCutoff = 0.7

Definition at line 26 of file RascalClusterOptions.h.

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

• RascalClusterOptions.h