Package _global.tri.oxidationstates.ion

Class ZintlIonFinder

java.lang.Object
_global.tri.oxidationstates.ion.ZintlIonFinder
All Implemented Interfaces:
IIonFinder
public class ZintlIonFinder extends Object implements IIonFinder
Finds possible Zintl ions in the given structure, where a possible Zintl ion is defined as a covalently bound network of ions containing one or more of boron, carbon, silicon, phosphorus, sulfur, gallium, germanium, arsenic, selenium, indium, tin, antimony, tellurium, lead, bismuth, polonium.

  • Constructor Details

    • ZintlIonFinder

      public ZintlIonFinder(matsci.structure.Structure structure)
      Initializes a finder to search for ions in the given structure.
      Parameters:
      structure - The given structure.

  • Method Details

    • numFoundPolyatomicIons

      public int numFoundPolyatomicIons()
      Description copied from interface: IIonFinder
      Returns the total number of found polyatomic ions. If more than one ion of the same type is found in a unit cell in different locations, they are all counted as separate found ions.
      Specified by:
      numFoundPolyatomicIons in interface IIonFinder
      Returns:
      the total number of found polyatomic ions. If more than one ion of the same type is found in a unit cell in different locations, they are all counted as separate found ions.

    • getFoundPolyatomicIon

      public matsci.structure.Structure getFoundPolyatomicIon(int index)
      Description copied from interface: IIonFinder
      Return the ionNum'th discovered polyatomic ion
      Specified by:
      getFoundPolyatomicIon in interface IIonFinder
      Parameters:
      index - The number of the polyatomic ion to return
      Returns:
      the ionNum'th discovered ion