RDKit
Open-source cheminformatics and machine learning.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros
SmartsWrite.h File Reference
#include <string>

Go to the source code of this file.

Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 
 RDKit::SmartsWrite
 

Functions

std::string RDKit::SmartsWrite::GetAtomSmarts (const QueryAtom *qatom)
 returns the SMARTS for a QueryAtom More...
 
std::string RDKit::SmartsWrite::GetBondSmarts (const QueryBond *qbond)
 returns the SMARTS for a QueryBond More...
 
std::string RDKit::MolToSmarts (ROMol &mol, bool doIsomericSmarts=false)
 returns the SMARTS for a molecule More...