McMd::ClusterLink Struct Reference

Detailed Description

Molecule in a cluster.

A cluster is defined by a linked list of ClusterLink objects.

Definition at line 22 of file ClusterLink.h.

#include <ClusterLink.h>

Public Member Functions
void	clear ()
	Set to default state. More...
void	setMolecule (Molecule &molecule)
	Set pointer to associated molecule. More...
Molecule &	molecule () const
	Get associated molecule by reference. More...
ClusterLink *	next () const
	Get pointer to next link in linked list. More...
int	clusterId () const
	Get cluster identifier. More...

Member Function Documentation

void McMd::ClusterLink::clear ( )

inline

Set to default state.

Definition at line 69 of file ClusterLink.h.

Referenced by McMd::Cluster::clear().

void McMd::ClusterLink::setMolecule ( Molecule &  molecule )

inline

Set pointer to associated molecule.

Definition at line 78 of file ClusterLink.h.

References molecule().

Molecule & McMd::ClusterLink::molecule ( ) const

inline

Get associated molecule by reference.

Definition at line 83 of file ClusterLink.h.

Referenced by McMd::Cluster::clusterCOM(), McMd::ClusterIdentifier::identifyClusters(), McMd::ClusterIdentifier::initialize(), McMd::ClusterIdentifier::isValid(), McMd::Cluster::momentTensor(), McMd::ClusterHistogram::sample(), and setMolecule().

ClusterLink * McMd::ClusterLink::next ( ) const

inline

Get pointer to next link in linked list.

Definition at line 88 of file ClusterLink.h.

Referenced by McMd::Cluster::clear(), McMd::Cluster::clusterCOM(), McMd::Cluster::isValid(), McMd::Cluster::momentTensor(), McMd::ClusterHistogram::sample(), and McMd::Cluster::setId().

int McMd::ClusterLink::clusterId ( ) const

inline

Get cluster identifier.

Definition at line 93 of file ClusterLink.h.

Referenced by McMd::ClusterIdentifier::identifyClusters(), McMd::ClusterIdentifier::initialize(), McMd::Cluster::isValid(), and McMd::ClusterIdentifier::isValid().

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

• ClusterLink.h