RDKit: RDKit::MolInterchange::JSONParseParameters Struct Reference

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Public Attributes | List of all members
RDKit::MolInterchange::JSONParseParameters Struct Reference

`#include <MolInterchange.h>`

## Public Attributes
bool | setAromaticBonds
bool | strictValenceCheck
bool | parseProperties
bool | parseConformers
bool | useHCounts

## Detailed Description

Definition at line 38 of file MolInterchange.h.

## Member Data Documentation

## ◆ parseConformers

bool RDKit::MolInterchange::JSONParseParameters::parseConformers

Initial value:
=
true

toggles extracting conformers from the JSON block

Definition at line 45 of file MolInterchange.h.

## ◆ parseProperties

bool RDKit::MolInterchange::JSONParseParameters::parseProperties

Initial value:
=
true

toggles extracting molecular properties from the JSON block

Definition at line 43 of file MolInterchange.h.

## ◆ setAromaticBonds

bool RDKit::MolInterchange::JSONParseParameters::setAromaticBonds

Initial value:
=
true

toggles setting the BondType of aromatic bonds to Aromatic

Definition at line 39 of file MolInterchange.h.

## ◆ strictValenceCheck

bool RDKit::MolInterchange::JSONParseParameters::strictValenceCheck

Initial value:
=
false

toggles doing reasonable valence checks

Definition at line 41 of file MolInterchange.h.

## ◆ useHCounts

bool RDKit::MolInterchange::JSONParseParameters::useHCounts

Initial value:
=
true

toggles using the implicit H counts for atoms from the JSON block. You may want to set this to false when parsing queries.

Definition at line 47 of file MolInterchange.h.

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

- MolInterchange.h