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RDKit
Open-source cheminformatics and machine learning.
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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" |
Use MolDescriptors.h in client code.
Definition in file MQN.h.