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

Aggregate for multiple-graph graph edit distance. 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 ComponentIndexPair = std::pair< unsigned, AtomIndex >
 Input component and atom index therein.
 

Data Fields

unsigned distance
 Minimal edit cost between graphs.
 
std::unordered_map
< ComponentIndexPair,
ComponentIndexPair,
boost::hash
< ComponentIndexPair > > 
indexMap
 Vertex and component mapping.
 
std::vector< VertexEditvertexEdits
 List of non-zero-cost vertex edits.
 
std::vector< EdgeEditedgeEdits
 List of non-zero-cost edge edits.
 

Detailed Description

Aggregate for multiple-graph graph edit distance.


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