Class SolubilityCategories

java.lang.Object
com.chemaxon.calculations.solubility.SolubilityCategories

@PublicAPI public class SolubilityCategories extends Object
Array of solubility categories.
  • Constructor Details

    • SolubilityCategories

      public SolubilityCategories(SolubilityCategory[] categories, SolubilityUnit unit)
      Constructor.
      Parameters:
      categories - array of solubility categories
      unit - unit of category's upper limit
  • Method Details

    • 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: