RDKit::v2::FileParsers::MolFromSCSRParams Struct Reference

#include <FileParsers.h>

Public Attributes
bool	includeLeavingGroups
SCSRTemplateNames	scsrTemplateNames = SCSRTemplateNames::AsEntered
SCSRBaseHbondOptions	scsrBaseHbondOptions = SCSRBaseHbondOptions::UseSapAll

Detailed Description

Definition at line 80 of file FileParsers.h.

Member Data Documentation

includeLeavingGroups

bool RDKit::v2::FileParsers::MolFromSCSRParams::includeLeavingGroups

Initial value:

=
      true

when true, leaving groups on atoms that are not exo-bonded are retained. When false, no leaving groups are retained

Definition at line 81 of file FileParsers.h.

scsrBaseHbondOptions

SCSRBaseHbondOptions RDKit::v2::FileParsers::MolFromSCSRParams::scsrBaseHbondOptions = SCSRBaseHbondOptions::UseSapAll

Definition at line 86 of file FileParsers.h.

scsrTemplateNames

SCSRTemplateNames RDKit::v2::FileParsers::MolFromSCSRParams::scsrTemplateNames = SCSRTemplateNames::AsEntered

Definition at line 84 of file FileParsers.h.

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

• FileParsers.h