com.chemaxon.calculations.solubility

Class SolubilityCategories

java.lang.Object

com.chemaxon.calculations.solubility.SolubilityCategories

public class SolubilityCategories
extends Object

Array of solubility categories.

Author:

Laszlo Antal

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	SolubilityCategories.UndefinedSolubilityCategory Undefined category.

Constructor Summary

Constructors

Constructor and Description
SolubilityCategories(SolubilityCategory[] categories, SolubilityUnit unit) Constructor.

Method Summary

Methods

Modifier and Type	Method and Description
static SolubilityCategories	defaultCategories() Creates default categories.
SolubilityCategory	getCategory(Molecule molecule, double logS) Calculates the solubility category of molecule.

Methods inherited from class java.lang.Object

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

Constructor Detail

SolubilityCategories

public SolubilityCategories(SolubilityCategory[] categories,
                    SolubilityUnit unit)

Constructor.

Parameters:

categories - array of solubility categories

unit - unit of category's upper limit

Method Detail

getCategory

public SolubilityCategory getCategory(Molecule molecule,
                             double logS)

Calculates the solubility category of molecule.

Parameters:

molecule - input molecule

logS - solubility value in logS unit

Returns:

solubility category

defaultCategories

public static SolubilityCategories defaultCategories()

Creates default categories.

Returns:

default solubility categories.

See Also:

DefaultSolubilityCategory