Package _global.tri.oxidationstates.webapi

Class RangeData

java.lang.Object

_global.tri.oxidationstates.webapi.RangeData

public class RangeData
extends Object

This class contains the data needed to generate the oxidation state range plots

Constructor Summary

Constructors

Constructor	Description
RangeData(String ionTypeSymbol, int[] oxidationStates, double[] rangeBoundaries)	This constructor is used by the Jackson library to deserialize a JSON file containing the boundaries.
RangeData(String ionTypeSymbol, LikelihoodCalculator calculator)	Creates the data necessary to create the plot for a given ion type.

Method Summary

Modifier and Type	Method	Description
String	getIonTypeSymbol()	Returns the given symbol for the ion type (e.g.
int[]	getOxidationStates()	Returns the oxidation states to be plotted.
double[]	getRangeBoundaries()	Returns the boundaries of the oxidation states in terms of the mapped potential, starting from the left-most and ending with the right-most
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Details

RangeData

public RangeData(String ionTypeSymbol,
 LikelihoodCalculator calculator)

Creates the data necessary to create the plot for a given ion type.

Parameters:

ionTypeSymbol - The symbol for the ion type (e.g. "Li", "SO4"). For polyatomic ions, the symbol may be enclosed in parenthesis, but it doesn't have to be.

calculator - The LikelihoodCalculator used to calculate the oxidation states. The range boundary information will be read from this calculator.

RangeData

public RangeData(String ionTypeSymbol,
 int[] oxidationStates,
 double[] rangeBoundaries)

This constructor is used by the Jackson library to deserialize a JSON file containing the boundaries.

Parameters:

ionTypeSymbol - The symbol for the ion type (e.g. "Li", "SO4"). For polyatomic ions, the symbol may be enclosed in parenthesis, but it doesn't have to be.

oxidationStates - The allowed oxidation states, in ascending order

rangeBoundaries - The boundaries between the oxidation states in units of the mapped potential, in the same order as the oxidation states. There should be one more boundary than oxidation state.

Method Details

getIonTypeSymbol

public String getIonTypeSymbol()

Returns the given symbol for the ion type (e.g. "Li", "SO4") for which the plot will be generated.

Returns:

the given symbol for the ion type (e.g. "Li", "SO4") for which the plot will be generated.

getRangeBoundaries

public double[] getRangeBoundaries()

Returns the boundaries of the oxidation states in terms of the mapped potential, starting from the left-most and ending with the right-most

Returns:

the boundaries of the oxidation states in terms of the mapped potential, starting from the left-most and ending with the right-most

getOxidationStates

public int[] getOxidationStates()

Returns the oxidation states to be plotted. If there are N oxidation states, then there will be N-1 oxidation states. The nth oxidation state is bounded by the nth boundary on the left, and the (n+1)th boundary on the right.

Returns:

the oxidation states to be plotted. If there are N oxidation states, then there will be N-1 oxidation states. The nth oxidation state is bounded by the nth boundary on the left, and the (n+1)th boundary on the right.

toString

public String toString()

Overrides:

toString in class Object