faunus
Public Member Functions | List of all members
Faunus::MoleculeInserter Struct Referenceabstract

Random position and orientation - typical for rigid bodies. More...

#include <molecule.h>

Inheritance diagram for Faunus::MoleculeInserter:
Inheritance graph
[legend]

Public Member Functions

virtual ParticleVector operator() (const Geometry::GeometryBase &geo, MoleculeData &mol, const ParticleVector &other_particles)=0
 
virtual void from_json (const json &j)
 
virtual void to_json (json &j) const
 

Detailed Description

Random position and orientation - typical for rigid bodies.

Molecule inserters take care of generating molecules for insertion into space and can be used in Grand Canonical moves, Widom analysis, and for generating initial configurations. Inserters will not actually insert anything, but rather return a particle vector with proposed coordinates.

All inserters are function objects, expecting a geometry, particle vector, and molecule data.


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