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.

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

• MolInterchange.h