Package org.openscience.cdk.renderer
Class AverageBondLengthCalculator
- java.lang.Object
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- org.openscience.cdk.renderer.AverageBondLengthCalculator
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Constructor Summary
Constructors Constructor Description AverageBondLengthCalculator()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method 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.
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Method Detail
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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
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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
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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
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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
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