RDKit
Open-source cheminformatics and machine learning.
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Public Attributes | List of all members
RDKit::StructureCheck::IncEntry Struct Reference

#include <StructChecker.h>

Public Attributes

std::string AtomSymbol
 
double LocalInc
 
double AlphaInc
 
double BetaInc
 
double MultInc
 
int local_inc_used
 
int alpha_inc_used
 
int beta_inc_used
 
int mult_inc_used
 

Detailed Description

Definition at line 96 of file StructChecker.h.

Member Data Documentation

◆ alpha_inc_used

int RDKit::StructureCheck::IncEntry::alpha_inc_used

Definition at line 105 of file StructChecker.h.

◆ AlphaInc

double RDKit::StructureCheck::IncEntry::AlphaInc

Definition at line 99 of file StructChecker.h.

◆ AtomSymbol

std::string RDKit::StructureCheck::IncEntry::AtomSymbol

Definition at line 97 of file StructChecker.h.

◆ beta_inc_used

int RDKit::StructureCheck::IncEntry::beta_inc_used

Definition at line 106 of file StructChecker.h.

◆ BetaInc

double RDKit::StructureCheck::IncEntry::BetaInc

Definition at line 100 of file StructChecker.h.

◆ local_inc_used

int RDKit::StructureCheck::IncEntry::local_inc_used

Definition at line 104 of file StructChecker.h.

◆ LocalInc

double RDKit::StructureCheck::IncEntry::LocalInc

Definition at line 98 of file StructChecker.h.

◆ mult_inc_used

int RDKit::StructureCheck::IncEntry::mult_inc_used

Definition at line 107 of file StructChecker.h.

◆ MultInc

double RDKit::StructureCheck::IncEntry::MultInc

Definition at line 101 of file StructChecker.h.

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