#include <SmilesParse.h>

Public Attributes
int	debugParse = 0

bool	sanitize = true

std::map< std::string, std::string > *	replacements

bool	allowCXSMILES = true

bool	strictCXSMILES

bool	parseName = true

bool	removeHs = true

bool	skipCleanup = false

Detailed Description

Definition at line 92 of file SmilesParse.h.

Member Data Documentation

◆ allowCXSMILES

bool RDKit::v1::SmilesParserParams::allowCXSMILES = true

recognize and parse CXSMILES

Definition at line 97 of file SmilesParse.h.

◆ debugParse

int RDKit::v1::SmilesParserParams::debugParse = 0

enable debugging in the SMILES parser

Definition at line 93 of file SmilesParse.h.

◆ parseName

bool RDKit::v1::SmilesParserParams::parseName = true

parse (and set) the molecule name as well

Definition at line 100 of file SmilesParse.h.

◆ removeHs

bool RDKit::v1::SmilesParserParams::removeHs = true

remove Hs after constructing the molecule

Definition at line 101 of file SmilesParse.h.

◆ replacements

std::map<std::string, std::string>* RDKit::v1::SmilesParserParams::replacements

Initial value:

=

nullptr

allows SMILES "macros"

Definition at line 95 of file SmilesParse.h.

◆ sanitize

bool RDKit::v1::SmilesParserParams::sanitize = true

sanitize the molecule after building it

Definition at line 94 of file SmilesParse.h.

◆ skipCleanup

bool RDKit::v1::SmilesParserParams::skipCleanup = false

skip the final cleanup stage

Definition at line 102 of file SmilesParse.h.

◆ strictCXSMILES

bool RDKit::v1::SmilesParserParams::strictCXSMILES

Initial value:

=

true

throw an exception if the CXSMILES parsing fails

Definition at line 98 of file SmilesParse.h.

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

SmilesParse.h

Public Attributes