![]() |
RDKit
Open-source cheminformatics and machine learning.
|
#include <SmilesParse.h>
Public Member Functions | |
SmilesParserParams () | |
Public Attributes | |
int | debugParse |
bool | sanitize |
std::map< std::string, std::string > * | replacements |
bool | allowCXSMILES |
bool | parseName |
bool | removeHs |
Definition at line 22 of file SmilesParse.h.
|
inline |
Definition at line 29 of file SmilesParse.h.
References RDKIT_SMILESPARSE_EXPORT, RDKit::SmilesToAtom(), RDKit::SmilesToBond(), and RDKit::SmilesToMol().
bool RDKit::SmilesParserParams::allowCXSMILES |
Definition at line 26 of file SmilesParse.h.
int RDKit::SmilesParserParams::debugParse |
Definition at line 23 of file SmilesParse.h.
Referenced by RDKit::SmilesToMol().
bool RDKit::SmilesParserParams::parseName |
Definition at line 27 of file SmilesParse.h.
bool RDKit::SmilesParserParams::removeHs |
Definition at line 28 of file SmilesParse.h.
Referenced by RDKit::SmilesToMol().
std::map<std::string, std::string>* RDKit::SmilesParserParams::replacements |
Definition at line 25 of file SmilesParse.h.
Referenced by RDKit::SmilesToMol().
bool RDKit::SmilesParserParams::sanitize |
Definition at line 24 of file SmilesParse.h.
Referenced by RDKit::SmilesToMol().