Package _global.tri.oxidationstates.calculator

Class MixedValenceChargeBalanceFilter

java.lang.Object

_global.tri.oxidationstates.calculator.MixedValenceChargeBalanceFilter

All Implemented Interfaces:

matsci.util.arrays.ArrayIndexer.Filter

public class MixedValenceChargeBalanceFilter
extends Object
implements matsci.util.arrays.ArrayIndexer.Filter

Filters out all combinations of ions that aren't charge balanced, or could not be made charge balanced by allowing one ion to have mixed valence. The mixed-valence ion would have one oxidation state corresponding to the given set of states and one oxidation state that is more negative.

Constructor Summary

Constructors

Constructor	Description
MixedValenceChargeBalanceFilter(IonFactory.Ion[][] allAllowedIons, double[] weights)	Initializes the filter.

Method Summary

Modifier and Type	Method	Description
int	getBranchIndex(int[] currentState)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

MixedValenceChargeBalanceFilter

public MixedValenceChargeBalanceFilter(IonFactory.Ion[][] allAllowedIons,
 double[] weights)

Initializes the filter. It's important that allAllowedIons are sorted from most negative to least negative oxidation state.

Parameters:

allAllowedIons - Each element of this array is the set of all allowed ions for a particular ion type. IMPORTANT: These arrays should be sorted from most negative to least negative oxidation state.

weights - The relative compositions of each ion type, in order corresponding to the order of allAllowedIons.

Method Details

getBranchIndex

public int getBranchIndex(int[] currentState)

Specified by:

getBranchIndex in interface matsci.util.arrays.ArrayIndexer.Filter