RDKit
Open-source cheminformatics and machine learning.
RDKit::MolzipParams Struct Reference

#include <MolFragmenter.h>

Public Attributes

MolzipLabel label = MolzipLabel::AtomMapNumber
 
std::vector< std::string > atomSymbols
 
std::string atomProperty
 
bool enforceValenceRules =true
 

Detailed Description

Definition at line 107 of file MolFragmenter.h.

Member Data Documentation

◆ atomProperty

std::string RDKit::MolzipParams::atomProperty

Definition at line 110 of file MolFragmenter.h.

◆ atomSymbols

std::vector<std::string> RDKit::MolzipParams::atomSymbols

Definition at line 109 of file MolFragmenter.h.

◆ enforceValenceRules

bool RDKit::MolzipParams::enforceValenceRules =true

Definition at line 111 of file MolFragmenter.h.

◆ label

MolzipLabel RDKit::MolzipParams::label = MolzipLabel::AtomMapNumber

Definition at line 108 of file MolFragmenter.h.


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