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

#include <SmilesParse.h>

Public Member Functions

 SmilesParserParams ()
 

Public Attributes

int debugParse
 
bool sanitize
 
std::map< std::string, std::string > * replacements
 
bool allowCXSMILES
 
bool parseName
 
bool removeHs
 

Detailed Description

Definition at line 20 of file SmilesParse.h.

Constructor & Destructor Documentation

RDKit::SmilesParserParams::SmilesParserParams ( )
inline

Definition at line 27 of file SmilesParse.h.

References RDKit::SmilesToMol().

Member Data Documentation

bool RDKit::SmilesParserParams::allowCXSMILES

Definition at line 24 of file SmilesParse.h.

int RDKit::SmilesParserParams::debugParse

Definition at line 21 of file SmilesParse.h.

Referenced by RDKit::SmilesToMol().

bool RDKit::SmilesParserParams::parseName

Definition at line 25 of file SmilesParse.h.

bool RDKit::SmilesParserParams::removeHs

Definition at line 26 of file SmilesParse.h.

Referenced by RDKit::SmilesToMol().

std::map<std::string, std::string>* RDKit::SmilesParserParams::replacements

Definition at line 23 of file SmilesParse.h.

Referenced by RDKit::SmilesToMol().

bool RDKit::SmilesParserParams::sanitize

Definition at line 22 of file SmilesParse.h.

Referenced by RDKit::SmilesToMol().


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