Molassembler  3.0.0
Molecule graph and conformer library
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ExplicitBoundsGraph.h File Reference

Fast shortest paths graph for triangle inequalities. More...

#include "boost/graph/adjacency_list.hpp"
#include "Eigen/Core"
#include "Utils/Geometry/ElementInfo.h"
#include "Molassembler/DistanceGeometry/ValueBounds.h"
#include "Molassembler/Conformers.h"
Include dependency graph for ExplicitBoundsGraph.h:

Go to the source code of this file.

Data Structures

class  Scine::Molassembler::DistanceGeometry::ExplicitBoundsGraph
 BGL wrapper to help with distance bounds smoothing. More...
 

Namespaces

 Scine::Molassembler
 Central library namespace.
 
 Scine::Molassembler::Random
 Randomness source for the library.
 
 Scine::Molassembler::DistanceGeometry
 Distance geometry-related classes and functions.
 

Detailed Description

Fast shortest paths graph for triangle inequalities.