Package _global.tri.oxidationstates.ion

Class OxideIonFinder

java.lang.Object
_global.tri.oxidationstates.ion.OxideIonFinder
All Implemented Interfaces:
IIonFinder
public class OxideIonFinder extends Object implements IIonFinder
This class finds polyatomic ions that are networks of atoms in consisting of oxygen atoms boudn to one of the following elements: boron, carbon, nitrogen, aluminum, silicon, germanium, tin, lead, phosphorus, sulfur, arsenic, selenium, chlorine, bromine, chromium, molybdenum, tungsten,

  • Constructor Details

    • OxideIonFinder

      public OxideIonFinder(matsci.structure.Structure structure)
      Initialize the finder and find the oxide ions in the given strucutre.
      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