RDKit
Open-source cheminformatics and machine learning.
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 95 of file StructChecker.h.

Member Data Documentation

int RDKit::StructureCheck::IncEntry::alpha_inc_used

Definition at line 104 of file StructChecker.h.

double RDKit::StructureCheck::IncEntry::AlphaInc

Definition at line 98 of file StructChecker.h.

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

Definition at line 96 of file StructChecker.h.

int RDKit::StructureCheck::IncEntry::beta_inc_used

Definition at line 105 of file StructChecker.h.

double RDKit::StructureCheck::IncEntry::BetaInc

Definition at line 99 of file StructChecker.h.

int RDKit::StructureCheck::IncEntry::local_inc_used

Definition at line 103 of file StructChecker.h.

double RDKit::StructureCheck::IncEntry::LocalInc

Definition at line 97 of file StructChecker.h.

int RDKit::StructureCheck::IncEntry::mult_inc_used

Definition at line 106 of file StructChecker.h.

double RDKit::StructureCheck::IncEntry::MultInc

Definition at line 100 of file StructChecker.h.


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