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

#include <MolInterchange.h>

Public Attributes

bool setAromaticBonds
 
bool strictValenceCheck
 
bool parseProperties
 
bool parseConformers
 

Detailed Description

Definition at line 39 of file MolInterchange.h.

Member Data Documentation

◆ parseConformers

bool RDKit::MolInterchange::JSONParseParameters::parseConformers
Initial value:
=
true

toggles extracting molecular properties from the JSON block

Definition at line 46 of file MolInterchange.h.

◆ parseProperties

bool RDKit::MolInterchange::JSONParseParameters::parseProperties
Initial value:
=
true

toggles doing reasonable valence checks

Definition at line 44 of file MolInterchange.h.

◆ setAromaticBonds

bool RDKit::MolInterchange::JSONParseParameters::setAromaticBonds
Initial value:
=
true

Definition at line 40 of file MolInterchange.h.

◆ strictValenceCheck

bool RDKit::MolInterchange::JSONParseParameters::strictValenceCheck
Initial value:
=
false

toggles setting the BondType of aromatic bonds to Aromatic

Definition at line 42 of file MolInterchange.h.


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