Molassembler  3.0.0
Molecule graph and conformer library
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Public Member Functions | Data Fields
Scine::Molassembler::ShapeInference::BindingSite Struct Reference

Type used to represent minimal binding site information. More...

#include <ShapeInference.h>

Public Member Functions

 BindingSite (const unsigned passL, const unsigned passX, std::vector< Utils::ElementType > passElements, const BondType passBondType)
 

Data Fields

unsigned L
 
unsigned X
 
std::vector< Utils::ElementType > elements
 
BondType bondType
 

Detailed Description

Type used to represent minimal binding site information.

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