Interface IChargeCalculator

All Superinterfaces:
IElectronicPropertyCalculator
All Known Implementing Classes:
AtomTypeCharges, GasteigerMarsiliPartialCharges, GasteigerPEPEPartialCharges, InductivePartialCharges, MMFF94PartialCharges

public interface IChargeCalculator extends IElectronicPropertyCalculator
Interface for classes that calculate (partial) charges centered on atom nuclei.
Author:
egonw
Source code:
main
Belongs to CDK module:
charges