RDKit
Open-source cheminformatics and machine learning.
MQN.h File Reference

Use MolDescriptors.h in client code. More...

#include <vector>

Go to the source code of this file.

Namespaces

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

Functions

std::vector< unsigned int > RDKit::Descriptors::calcMQNs (const ROMol &mol, bool force=false)
 calculates MQN descriptors More...
 

Variables

const std::string RDKit::Descriptors::MQNVersion = "1.0.0"
 

Detailed Description

Use MolDescriptors.h in client code.

Definition in file MQN.h.