com.chemaxon.calculations.solubility

Interface SolubilityResult

public interface SolubilityResult

Solubility prediction result.

Author:

Laszlo Antal

Method Summary

Methods

Modifier and Type	Method and Description
Molecule	getMolecule() Returns the input molecule.
double	getSolubility() Returns the solubility value.
double	getSolubility(SolubilityUnit unit) Returns the solubility value.
SolubilityCategory	getSolubilityCategory() Returns the solubility category.
SolubilityCategory	getSolubilityCategory(SolubilityCategories categories) Returns the solubility category.

Method Detail

getMolecule

Molecule getMolecule()

Returns the input molecule.

Returns:

the input molecule.

getSolubility

double getSolubility()

Returns the solubility value.

Returns:

the solubility value in logS unit

getSolubility

double getSolubility(SolubilityUnit unit)

Returns the solubility value.

Parameters:

unit - solubility unit, see: SolubilityUnit

Returns:

the solubility value

getSolubilityCategory

SolubilityCategory getSolubilityCategory()

Returns the solubility category.

Returns:

the solubility category

See Also:

DefaultSolubilityCategory

getSolubilityCategory

SolubilityCategory getSolubilityCategory(SolubilityCategories categories)

Returns the solubility category.

Parameters:

categories - solubility categories

Returns:

the solubility category