Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::MinimalGraphEdits Struct Reference

Result type for single-pair graph edit distance calculation. More...

#include <GraphAlgorithms.h>

Data Structures

struct  EdgeEdit
 Type for non-zero cost edge edits in the result set. More...
 
struct  VertexEdit
 Type for non-zero cost vertex edits in the result set. More...
 

Public Types

using IndexMap = std::vector< AtomIndex >
 Flat vertex index map between the graphs.
 

Data Fields

unsigned distance
 Total distance between graphs according to cost function.
 
IndexMap indexMap
 Vertex mapping, possibly including epsilon values.
 
std::vector< VertexEditvertexEdits
 List of non-zero-cost vertex edits.
 
std::vector< EdgeEditedgeEdits
 List of non-zero-cost edge edits.
 

Static Public Attributes

static constexpr AtomIndex epsilon = std::numeric_limits<AtomIndex>::max()
 Sentinel value for non-existent vertex.
 

Detailed Description

Result type for single-pair graph edit distance calculation.


The documentation for this struct was generated from the following file: