Package etomica.config

Interface Configuration

All Known Implementing Classes:

ConfigurationAligned, ConfigurationCatalysis, ConfigurationCluster, ConfigurationClusterAceticAcid, ConfigurationClusterChain, ConfigurationClusterChainFourSites, ConfigurationClusterMove, ConfigurationClusterWertheimGCPM, ConfigurationClusterWertheimGCPM4Pt, ConfigurationClusterWertheimGCPMDirectSampling, ConfigurationColloid, ConfigurationDroplet, ConfigurationFile, ConfigurationFileBinary, ConfigurationFileTIP4P, ConfigurationFileXYZ, ConfigurationLammps, ConfigurationLattice, ConfigurationLatticeFreeRadical, ConfigurationLatticeRandom, ConfigurationLatticeSimple, ConfigurationLatticeTube, ConfigurationLatticeWithPlane, ConfigurationMembrane, ConfigurationMembraneWater, ConfigurationOrientedFile, ConfigurationPolymer, ConfigurationResourceFile, ConfigurationSAM, ConfigurationWater108, ConfigurationWater108TIP4P, ConfigurationWater256, ConfigurationWater3, ConfigurationWater3_3P, ConfigurationZincblende, GrainBoundaryConfiguration, GrainBoundaryTiltConfiguration

public interface Configuration

General class for assignment of molecules to positions in a box. Subclasses define algorithms for the placement of molecules via their implementation of the initializePositions method.

The arrangement of atoms within the molecules is not handled by this class; {@see etomica.config.Conformation}.

Method Summary

Modifier and Type	Method	Description
void	initializeCoordinates(Box box)	Defines the placement of the molecules.

Method Detail

initializeCoordinates

void initializeCoordinates(Box box)

Defines the placement of the molecules. Atoms in all lists are considered for placement. Subclasses define the specific algorithm for placement, and for interpretation of the different lists. Some subclasses will simply place all atoms as if they are in a single list, while others will place atoms in different lists in different ways, for example to form a lattice appropriate to a compound (i.e., a solid-box mixture).