Faunus::Conformation Struct Reference

Possible structure for molecular conformations. More...

#include <molecule.h>

Public Member Functions
bool	empty () const
void	copyTo (ParticleVector &particles) const
	Copy conformation into particle vector. More...

Public Attributes
std::vector< Point >	positions
std::vector< double >	charges

Detailed Description

Possible structure for molecular conformations.

Member Function Documentation

copyTo()

void Faunus::Conformation::copyTo

(

ParticleVector &

particles

)

const

Copy conformation into particle vector.

Parameters

particles

Destination particle vector

Exceptions

If	there's a size mismatch with destination

Overwrites positions and charges; remaining properties are untouched

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

• src/molecule.h
• src/molecule.cpp