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

#include <MarvinParser.h>

Public Attributes

bool includeStereo = true
 
bool kekulize
 
bool prettyPrint = false
 
unsigned int precision = 6
 

Detailed Description

Definition at line 134 of file MarvinParser.h.

Member Data Documentation

◆ includeStereo

bool RDKit::MrvWriterParams::includeStereo = true

toggles inclusion of stereochemical

Definition at line 135 of file MarvinParser.h.

◆ kekulize

bool RDKit::MrvWriterParams::kekulize
Initial value:
=
true

triggers kekulization of the molecule before it's written

Definition at line 136 of file MarvinParser.h.

◆ precision

unsigned int RDKit::MrvWriterParams::precision = 6

precision of the coordinates

Definition at line 139 of file MarvinParser.h.

◆ prettyPrint

bool RDKit::MrvWriterParams::prettyPrint = false

makes the output more human readable

Definition at line 138 of file MarvinParser.h.


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