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org.openscience.cdk.charges.IChargeCalculator Interface Reference
Inheritance diagram for org.openscience.cdk.charges.IChargeCalculator:
Collaboration diagram for org.openscience.cdk.charges.IChargeCalculator:

List of all members.

Public Member Functions

void calculateCharges (IAtomContainer container) throws CDKException

Detailed Description

Interface for classes that calculate (partial) charges centered on atom nuclei.

Author:
egonw .module charges .githash

Definition at line 31 of file IChargeCalculator.java.


The documentation for this interface was generated from the following file:

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