Package org.openscience.cdk.charges
Interface IChargeCalculator
- All Superinterfaces:
IElectronicPropertyCalculator
- All Known Implementing Classes:
AtomTypeCharges
,GasteigerMarsiliPartialCharges
,GasteigerPEPEPartialCharges
,InductivePartialCharges
,MMFF94PartialCharges
Interface for classes that calculate (partial) charges centered
on atom nuclei.
- Author:
- egonw
- Source code:
- main
- Belongs to CDK module:
- charges
-
Method Summary
Methods inherited from interface org.openscience.cdk.charges.IElectronicPropertyCalculator
calculateCharges