RDKit::v2::ReactionParser::ReactionSmartsParserParams Struct Reference

#include <ReactionParser.h>

Public Attributes
bool	sanitize = false
std::map< std::string, std::string >	replacements
bool	allowCXSMILES = true
bool	strictCXSMILES

Detailed Description

Definition at line 73 of file ReactionParser.h.

Member Data Documentation

allowCXSMILES

bool RDKit::v2::ReactionParser::ReactionSmartsParserParams::allowCXSMILES = true

recognize and parse CXSMILES

Definition at line 77 of file ReactionParser.h.

replacements

std::map<std::string, std::string> RDKit::v2::ReactionParser::ReactionSmartsParserParams::replacements

allows SMILES "macros"

Definition at line 76 of file ReactionParser.h.

sanitize

bool RDKit::v2::ReactionParser::ReactionSmartsParserParams::sanitize = false

sanitize the molecules after building them

Definition at line 74 of file ReactionParser.h.

strictCXSMILES

bool RDKit::v2::ReactionParser::ReactionSmartsParserParams::strictCXSMILES

Initial value:

=
      true

throw an exception if the CXSMILES parsing fails

Definition at line 78 of file ReactionParser.h.

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

• ReactionParser.h