Class RacemateChecker

All Implemented Interfaces:
StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener

@PublicAPI public class RacemateChecker extends AtomChecker
A descendant of AtomChecker detecting asymmetric tetrahedral atoms without specific stereochemistry.
Marvin 5.5
  • Constructor Details

    • RacemateChecker

      public RacemateChecker()
      Creates a new RacemateChecker instance.
  • Method Details

    • check1

      protected StructureCheckerResult check1(Molecule molecule)
      Description copied from class: ComponentChecker
      Iterates through the components and checks every component. If a component has error it is added to a List. After the iteration if no problem occurred the result is null otherwise the method creates a StructureCheckerResult containing the atoms and bonds of the problematic components.
      check1 in class ComponentChecker<MolAtom>
      molecule - the Molecule instance to be checked for problems
      a StructureCheckerResult which contains all the indices of the problematic components
    • check

      protected boolean check(Molecule molecule, MolAtom component)
      Description copied from class: ComponentChecker
      Checks if the component with index i has problem
      Specified by:
      check in class ComponentChecker<MolAtom>
      molecule - is a Molecule instance
      component - the current component to check
      true if the component has problem, false otherwise