RDKit::v2::FileParsers::Mol2ParserParams Struct Reference

#include <FileParsers.h>

Public Attributes
bool	sanitize = true
bool	removeHs = true
Mol2Type	variant = Mol2Type::CORINA
bool	cleanupSubstructures

Detailed Description

Definition at line 268 of file FileParsers.h.

Member Data Documentation

cleanupSubstructures

bool RDKit::v2::FileParsers::Mol2ParserParams::cleanupSubstructures

Initial value:

=
      true

toggles recognition and cleanup of common substructures

Definition at line 272 of file FileParsers.h.

removeHs

bool RDKit::v2::FileParsers::Mol2ParserParams::removeHs = true

remove Hs after constructing the molecule

Definition at line 270 of file FileParsers.h.

sanitize

bool RDKit::v2::FileParsers::Mol2ParserParams::sanitize = true

sanitize the molecule after building it

Definition at line 269 of file FileParsers.h.

variant

Mol2Type RDKit::v2::FileParsers::Mol2ParserParams::variant = Mol2Type::CORINA

the atom type definitions to use

Definition at line 271 of file FileParsers.h.

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

• FileParsers.h