Molassembler  1.0.0
Molecule graph and conformer library
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TetrangleSmoothing.h File Reference

Tetrangle distance bounds smoothing. More...

#include <Eigen/Core>
Include dependency graph for TetrangleSmoothing.h:

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Namespaces

 Scine
 
 Scine::Molassembler
 Central library namespace.
 
 Scine::Molassembler::DistanceGeometry
 Distance geometry-related classes and functions.
 

Functions

unsigned Scine::Molassembler::DistanceGeometry::tetrangleSmooth (Eigen::Ref< Eigen::MatrixXd > bounds)
 Smoothes the bounds matrix using tetrangle inequalities. More...
 

Detailed Description

Tetrangle distance bounds smoothing.