org.openscience.cdk.renderer

Class AverageBondLengthCalculator

java.lang.Object

org.openscience.cdk.renderer.AverageBondLengthCalculator

public class AverageBondLengthCalculator
extends Object

Utility class for calculating the average bond length for various IChemObject subtypes : IReaction, IAtomContainerSet, IChemModel, and IReactionSet.

Author:

maclean

Source code:

master

Belongs to CDK module:

renderbasic

Constructor Summary

Constructors

Constructor and Description
AverageBondLengthCalculator()

Method Summary

Modifier and Type	Method and Description
static double	calculateAverageBondLength(IAtomContainerSet moleculeSet) Calculate the average bond length for the bonds in a molecule set.
static double	calculateAverageBondLength(IChemModel model) Calculate the average bond length for the bonds in a chem model.
static double	calculateAverageBondLength(IReaction reaction) Calculate the average bond length for the bonds in a reaction.
static double	calculateAverageBondLength(IReactionSet reactionSet) Calculate the average bond length for the bonds in a reaction set.

Methods inherited from class java.lang.Object

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

Constructor Detail

AverageBondLengthCalculator

public AverageBondLengthCalculator()

Method Detail

calculateAverageBondLength

public static double calculateAverageBondLength(IReaction reaction)

Calculate the average bond length for the bonds in a reaction.

Parameters:

reaction - the reaction to use

Returns:

the average bond length

calculateAverageBondLength

public static double calculateAverageBondLength(IAtomContainerSet moleculeSet)

Calculate the average bond length for the bonds in a molecule set.

Parameters:

moleculeSet - the molecule set to use

Returns:

the average bond length

calculateAverageBondLength

public static double calculateAverageBondLength(IChemModel model)

Calculate the average bond length for the bonds in a chem model.

Parameters:

model - the model for which to calculate the average bond length

Returns:

the average bond length

calculateAverageBondLength

public static double calculateAverageBondLength(IReactionSet reactionSet)

Calculate the average bond length for the bonds in a reaction set.

Parameters:

reactionSet - the reaction set to use

Returns:

the average bond length