Molassembler  3.0.0
Molecule graph and conformer library
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Public Member Functions
Scine::Molassembler::ElementsConservedCost Struct Reference

Element type conserving cost function, really allowing only edge alterations. More...

#include <GraphAlgorithms.h>

Inheritance diagram for Scine::Molassembler::ElementsConservedCost:

Public Member Functions

unsigned vertexAlteration () const override
 
unsigned elementSubstitution (Utils::ElementType from, Utils::ElementType to) const override
 
- Public Member Functions inherited from Scine::Molassembler::FuzzyCost
unsigned edgeAlteration () const override
 
unsigned bondSubstitution (BondType from, BondType to) const override
 

Detailed Description

Element type conserving cost function, really allowing only edge alterations.

This cost function conserves element types and prevents vertex deletion. Perfect for chemical reactions.

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