Some Example Class Diagrams


THESE DIAGRAMS DO NOT NECESSARILY REPRESENT THE CURRENT DESIGN.

Description of the Classes within the Diagram

The MolecularEnsemble contains all the molecules used by an application. For example, a protein plus surrounding solvent in a molecular dynamics simulation. A MolecularEnsemble contains at least one Molecule. It can also contain some InterAtomicArcs (which represent interactions between any atom pairs), some HydrogenBonds and some ImproperTorsions (these are torsion angles where not all 4 atoms are directly connected by covalent bonds).

A Molecule may or may not contain a GroupOfAtoms. A molecular structure need not contain information at the atomic level. An example where this is the case is a protein for which the sequence is known but structure has not been solved. A Molecule can contain some BondAngles, some CovalentBonds and some TorsionAngles.

More class diagrams

Key

Software Engineering Home Page Any questions and bug reports to Mark Williams. Page last updated on the 25th of May 1999.