#include <SmilesParse.h>

Public Attributes
bool	allowCXSMILES = true

bool	strictCXSMILES

bool	parseName = true

bool	mergeHs

bool	skipCleanup = false

bool	debugParse = false

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

Detailed Description

Definition at line 56 of file SmilesParse.h.

Member Data Documentation

◆ allowCXSMILES

bool RDKit::v2::SmilesParse::SmartsParserParams::allowCXSMILES = true

recognize and parse CXSMILES extensions

Definition at line 57 of file SmilesParse.h.

◆ debugParse

bool RDKit::v2::SmilesParse::SmartsParserParams::debugParse = false

enable debugging in the SMARTS parser

Definition at line 64 of file SmilesParse.h.

◆ mergeHs

bool RDKit::v2::SmilesParse::SmartsParserParams::mergeHs

Initial value:

=

false

toggles merging H atoms in the SMARTS into neighboring atoms

Definition at line 61 of file SmilesParse.h.

◆ parseName

bool RDKit::v2::SmilesParse::SmartsParserParams::parseName = true

parse (and set) the molecule name as well

Definition at line 60 of file SmilesParse.h.

◆ replacements

std::map<std::string, std::string> RDKit::v2::SmilesParse::SmartsParserParams::replacements

allows SMARTS "macros"

Definition at line 66 of file SmilesParse.h.

◆ skipCleanup

bool RDKit::v2::SmilesParse::SmartsParserParams::skipCleanup = false

skip the final cleanup stage

Definition at line 63 of file SmilesParse.h.

◆ strictCXSMILES

bool RDKit::v2::SmilesParse::SmartsParserParams::strictCXSMILES

Initial value:

=

true

throw an exception if the CXSMILES parsing fails

Definition at line 58 of file SmilesParse.h.

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

SmilesParse.h

Public Attributes