Package chemaxon.calculations.api

Interface Calculator<T,R>

Type Parameters:
T - type of the input data for calculation
R - type of the result of calculation
All Superinterfaces:
TaggedCalculator
All Known Implementing Classes:
DipoleCalculator, NMRCalculator, ProgressableCalculator
@PublicApi public interface Calculator<T,R> extends TaggedCalculator
Generic calculator interface

  • Method Summary

    Modifier and Type
    Method
    Description
    R
    calculate(T data)
    Calculates with the given data
    List<CalculatorError>
    check(T data)
    Checks if the given data is usable for the calculator or not

    Methods inherited from interface chemaxon.calculations.api.TaggedCalculator

    tags

  • Method Details

    • check

      List<CalculatorError> check(T data)
      Checks if the given data is usable for the calculator or not
      Parameters:
      data - the input data
      Returns:
      list of errors. The molecule is valid when the list is empty.

    • calculate

      R calculate(T data) throws IllegalArgumentException
      Calculates with the given data
      Parameters:
      data - the input data
      Returns:
      the calculation result
      Throws:
      IllegalArgumentException - when the molecule is not usable
      See Also: