1 #ifndef MCMD_CLUSTER_LINK_H 2 #define MCMD_CLUSTER_LINK_H 84 {
return *moleculePtr_; }
94 {
return clusterId_; }
void clear()
Set to default state.
int clusterId() const
Get cluster identifier.
ClusterLink * next() const
Get pointer to next link in linked list.
void setMolecule(Molecule &molecule)
Set pointer to associated molecule.
Molecule & molecule() const
Get associated molecule by reference.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A physical molecule (a set of covalently bonded Atoms).