Package org.openscience.cdk.renderer
Class AverageBondLengthCalculator
java.lang.Object
org.openscience.cdk.renderer.AverageBondLengthCalculator
Utility class for calculating the average bond length for various
IChemObject subtypes : IReaction, IAtomContainerSet, IChemModel, and IReactionSet.
- Author:
- maclean
- Source code:
- main
- Belongs to CDK module:
- renderbasic
-
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic double
calculateAverageBondLength
(IAtomContainerSet moleculeSet) Calculate the average bond length for the bonds in a molecule set.static double
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.
-
Constructor Details
-
AverageBondLengthCalculator
public AverageBondLengthCalculator()
-
-
Method Details
-
calculateAverageBondLength
Calculate the average bond length for the bonds in a reaction.- Parameters:
reaction
- the reaction to use- Returns:
- the average bond length
-
calculateAverageBondLength
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
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
Calculate the average bond length for the bonds in a reaction set.- Parameters:
reactionSet
- the reaction set to use- Returns:
- the average bond length
-