RDKit: DistPicker.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Functions
DistPicker.h File Reference
`#include <RDGeneral/export.h>`
`#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
namespace | RDPickers

## Functions
RDKIT_SIMDIVPICKERS_EXPORT double | RDPickers::getDistFromLTM (const double *distMat, unsigned int i, unsigned int j)
| function to lookup distance from 1D lower triangular distance matrix