Molassembler  3.0.0
Molecule graph and conformer library
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Macros Pages
ImplicitBoundsGraph.h File Reference

Space-efficient shortest paths graph for triangle inequalities. More...

#include "boost/property_map/property_map.hpp"
#include "Eigen/Core"
#include "Utils/Geometry/ElementTypes.h"
#include "Molassembler/DistanceGeometry/ValueBounds.h"
#include "Molassembler/Conformers.h"
#include <array>
#include <map>
#include <tuple>
Include dependency graph for ImplicitBoundsGraph.h:
This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Data Structures

class  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph
 Simulates a graph from which triangle inequality bounds can be calculated by shortest-paths. More...
 
struct  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph::EdgeWeightMap
 A helper struct permitting read-access to an edge weight via an edge descriptor. More...
 
struct  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph::VertexIndexMap
 A helper struct to turn vertex descriptors into numeric indices. More...
 
class  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph::vertex_iterator
 A random access iterator through all vertex descriptors of the graph. More...
 
class  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph::edge_iterator
 An iterator to enumerate all edges in a graph. More...
 
class  Scine::Molassembler::DistanceGeometry::ImplicitBoundsGraph::in_group_edge_iterator
 An iterator to enumerate only edges to the same part of the graph from specific vertices. 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

Space-efficient shortest paths graph for triangle inequalities.