RDKit::PNGMetadataParams Struct Reference

#include <PNGParser.h>

Public Attributes
bool	includePkl = true
	include molecule pickle
bool	includeSmiles = true
	include CXSMILES for the molecule
bool	includeMol = false
	include molblock for the molecule
unsigned int	propertyFlags = MolPickler::getDefaultPickleProperties()
	choose properties to be included in the pickle
SmilesWriteParams	smilesWriteParams = SmilesWriteParams()
	choose SmilesWriteParams for the CXSMILES string
std::uint32_t	cxSmilesFlags = SmilesWrite::CXSmilesFields::CX_ALL
	choose CXSMILES fields to be included in the CXSMILES string
RestoreBondDirOption	restoreBondDirs
	choose what to do with bond dirs in the CXSMILES string

Detailed Description

Definition at line 36 of file PNGParser.h.

Member Data Documentation

cxSmilesFlags

std::uint32_t RDKit::PNGMetadataParams::cxSmilesFlags = SmilesWrite::CXSmilesFields::CX_ALL

choose CXSMILES fields to be included in the CXSMILES string

Definition at line 48 of file PNGParser.h.

includeMol

bool RDKit::PNGMetadataParams::includeMol = false

include molblock for the molecule

Definition at line 42 of file PNGParser.h.

Referenced by RDKit::addMolToPNGStream().

includePkl

bool RDKit::PNGMetadataParams::includePkl = true

include molecule pickle

Definition at line 38 of file PNGParser.h.

Referenced by RDKit::addMolToPNGStream().

includeSmiles

bool RDKit::PNGMetadataParams::includeSmiles = true

include CXSMILES for the molecule

Definition at line 40 of file PNGParser.h.

Referenced by RDKit::addMolToPNGStream().

propertyFlags

unsigned int RDKit::PNGMetadataParams::propertyFlags = MolPickler::getDefaultPickleProperties()

choose properties to be included in the pickle

Definition at line 44 of file PNGParser.h.

restoreBondDirs

RestoreBondDirOption RDKit::PNGMetadataParams::restoreBondDirs

Initial value:

=
      RestoreBondDirOption::RestoreBondDirOptionClear

choose what to do with bond dirs in the CXSMILES string

Definition at line 50 of file PNGParser.h.

smilesWriteParams

SmilesWriteParams RDKit::PNGMetadataParams::smilesWriteParams = SmilesWriteParams()

choose SmilesWriteParams for the CXSMILES string

Definition at line 46 of file PNGParser.h.

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

• PNGParser.h