Package _global.tri.oxidationstates.ion

Class IonFactory.Ion

java.lang.Object
_global.tri.oxidationstates.ion.IonFactory.Ion
Enclosing class:
IonFactory
public static class IonFactory.Ion extends Object
An Ion is a combination of an ion type (e.g. element or cluster of elements) with an oxidation state.

  • Method Details

    • getRepresentativeStructure

      public matsci.structure.Structure getRepresentativeStructure()
      Returns the representative structure for this ion.
      Returns:
      the representative structure for this ion

    • getOxidationState

      public double getOxidationState()
      Returns the oxidation state for this ion.
      Returns:
      the oxidation state for this ion.

    • getIonType

      public IonFactory.IonType getIonType()
      Returns the ion type for this ion.
      Returns:
      the ion type for this ion.

    • getSymbol

      public String getSymbol()
      Returns the symbol for this ion.
      Returns:
      the symbol for this ion.

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • isPolyatomic

      public boolean isPolyatomic()
      Returns true if this is a polyatomic ion (as determined by the representative structure), and false otherwise.
      Returns:
      true if this is a polyatomic ion (as determined by the representative structure), and false otherwise.

    • hasIntegerOxidationState

      public boolean hasIntegerOxidationState()
      Returns true if the oxidation state is within the oxidation tolerance (0.001 by default) of an integer, and false otherwise.
      Returns:
      true if the oxidation state is within the oxidation tolerance (0.001 by default) of an integer, and false otherwise.