Package pl.poznan.put.torsion

Class AtomPair

java.lang.Object

pl.poznan.put.torsion.AtomPair

All Implemented Interfaces:

Comparable<AtomPair>

Direct Known Subclasses:

ImmutableAtomPair

@Immutable
public abstract class AtomPair
extends Object
implements Comparable<AtomPair>

A pair of atoms.

Constructor Summary

Constructors

Constructor	Description
AtomPair()

Method Summary

Modifier and Type	Method	Description
protected BondLength	bondLength()
final int	compareTo(AtomPair t)
protected double	distance()
final String	generateValidationMessage()	Generate a validation message if the distance between this atom pair is larger than 150% of the maximum expected bond length (see Bond.length(AtomType, AtomType)).

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

AtomPair

public AtomPair()

Method Details

generateValidationMessage

public final String generateValidationMessage()

Generate a validation message if the distance between this atom pair is larger than 150% of the maximum expected bond length (see Bond.length(AtomType, AtomType)).

Returns:

A message detailing the invalid distance or empty string ("") if all is fine.

compareTo

public final int compareTo(AtomPair t)

Specified by:

compareTo in interface Comparable<AtomPair>

distance

@Lazy
protected double distance()

bondLength

@Lazy
protected BondLength bondLength()