Class SolubilityCategories
- java.lang.Object
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- com.chemaxon.calculations.solubility.SolubilityCategories
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@PublicAPI public class SolubilityCategories extends Object
Array of solubility categories.
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Nested Class Summary
Nested Classes Modifier and Type Class Description static class
SolubilityCategories.UndefinedSolubilityCategory
Undefined category.
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Constructor Summary
Constructors Constructor Description SolubilityCategories(SolubilityCategory[] categories, SolubilityUnit unit)
Constructor.
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description static SolubilityCategories
defaultCategories()
Creates default categories.SolubilityCategory
getCategory(Molecule molecule, double logS)
Calculates the solubility category of molecule.
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Constructor Detail
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SolubilityCategories
public SolubilityCategories(SolubilityCategory[] categories, SolubilityUnit unit)
Constructor.- Parameters:
categories
- array of solubility categoriesunit
- unit of category's upper limit
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Method Detail
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getCategory
public SolubilityCategory getCategory(Molecule molecule, double logS)
Calculates the solubility category of molecule.- Parameters:
molecule
- input moleculelogS
- solubility value in logS unit- Returns:
- solubility category
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defaultCategories
public static SolubilityCategories defaultCategories()
Creates default categories.- Returns:
- default solubility categories.
- See Also:
DefaultSolubilityCategory
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