RDKit::v2::FileParsers::MolFileParserParams Struct Reference

#include <FileParsers.h>

Public Attributes
bool	sanitize = true
bool	removeHs = true
bool	strictParsing = true
bool	expandAttachmentPoints
bool	parsingSCSRMol = false

Detailed Description

Definition at line 47 of file FileParsers.h.

Member Data Documentation

expandAttachmentPoints

bool RDKit::v2::FileParsers::MolFileParserParams::expandAttachmentPoints

Initial value:

=
      false

toggle conversion of attachment points into dummy atoms

Definition at line 52 of file FileParsers.h.

parsingSCSRMol

bool RDKit::v2::FileParsers::MolFileParserParams::parsingSCSRMol = false

if true, we are parsing a SCSR mol file

Definition at line 54 of file FileParsers.h.

removeHs

bool RDKit::v2::FileParsers::MolFileParserParams::removeHs = true

remove Hs after constructing the molecule

Definition at line 49 of file FileParsers.h.

Referenced by RDKit::FileParserUtils::finishMolProcessing(), RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::setData(), and RDKit::v1::SDMolSupplier::setData().

sanitize

bool RDKit::v2::FileParsers::MolFileParserParams::sanitize = true

sanitize the molecule after building it

Definition at line 48 of file FileParsers.h.

Referenced by RDKit::FileParserUtils::finishMolProcessing(), RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::setData(), and RDKit::v1::SDMolSupplier::setData().

strictParsing

bool RDKit::v2::FileParsers::MolFileParserParams::strictParsing = true

if set to false, the parser is more lax about correctness of the contents.

Definition at line 50 of file FileParsers.h.

Referenced by RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), and RDKit::v1::SDMolSupplier::setData().

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

• FileParsers.h