Interface CalculatorResultAccess

All Known Implementing Classes:
CalculatorPluginCachedResults, CalculatorPluginOutput

@PublicApi public interface CalculatorResultAccess
Interface providing plugin result access.
Since:
Marvin 5.2
  • Method Details

    • getHeader

      String getHeader()
      Returns the table header.
      Returns:
      the table header
    • getResult

      String getResult(Molecule target) throws PluginException
      Returns the result string for the given molecule.
      Parameters:
      target - is the target molecule
      Returns:
      the result row
      Throws:
      PluginException - on error
    • getResultMolecules

      Molecule[] getResultMolecules(Molecule target) throws PluginException
      Returns the result molecules for the given target molecule.
      Parameters:
      target - is the target molecule
      Returns:
      the result molecules
      Throws:
      PluginException - on error
    • getResultMolecule

      Molecule getResultMolecule(Molecule target) throws PluginException
      Returns the decorated result molecule for the given target molecule. Used in case of MRV output (-M, --mrv-output).
      Parameters:
      target - is the target molecule
      Returns:
      the result molecule
      Throws:
      PluginException - on error
    • getResultMessage

      String getResultMessage()
      Returns the plugin calculation error message, error or warning.
      Returns:
      the plugin calculation error message
    • getRemark

      String getRemark()
      Returns the calculation remark.
      Returns:
      the calculation remark
    • getThrowable

      Throwable getThrowable()
      Returns the throwable object.
      Returns:
      the throwable object
    • isOK

      boolean isOK()
      Returns true if the calculation has run without error.
      Returns:
      true if the calculation has run without error