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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/types.h>
Go to the source code of this file.
Classes | |
class | RDPickers::DistPicker |
Abstract base class to do perform item picking (typically molecules) using a distance matrix. More... | |
Namespaces | |
RDPickers | |
Functions | |
double | RDPickers::getDistFromLTM (const double *distMat, unsigned int i, unsigned int j) |
function to lookup distance from 1D lower triangular distance matrix More... | |