public interface IBondDescriptor extends IDescriptor
Modifier and Type | Method and Description |
---|---|
DescriptorValue |
calculate(IBond bond,
IAtomContainer atomContainer)
Calculates the descriptor value for the given IBond.
|
getDescriptorNames, getParameterNames, getParameters, getParameterType, getSpecification, setParameters
DescriptorValue calculate(IBond bond, IAtomContainer atomContainer)
bond
- A IBond
for which this descriptor
should be calculatedatomContainer
- The molecule containing the bondDescriptorValue
that contain the
calculated value as well as specification details