Class ComponentChecker<E>

java.lang.Object
chemaxon.checkers.AbstractStructureChecker
chemaxon.checkers.ComponentChecker<E>
Type Parameters:
E - is the type of the component (for example: MolAtom, MolBond, etc...)
All Implemented Interfaces:
StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener
Direct Known Subclasses:
AtomChecker, BondChecker

@PublicAPI public abstract class ComponentChecker<E> extends AbstractStructureChecker
Descendants of the abstract ComponentChecker class implement detect problems related to disconnected components (fragments).
Since:
Marvin 5.3
  • Constructor Details

  • Method Details

    • getComponentCount

      protected abstract int getComponentCount(Molecule molecule)
      Gets the number of the components in the molecule
      Parameters:
      molecule - the molecule to check
      Returns:
      the number of the components in the molecule
    • getComponent

      protected abstract E getComponent(Molecule molecule, int i)
      Gets the component from the molecule with index i.
      Parameters:
      molecule - the molecule to check
      i - the index of the component
      Returns:
      the component
    • initialize

      protected void initialize()
      Empty default implementation
    • check1

      protected StructureCheckerResult check1(Molecule molecule)
      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.
      Specified by:
      check1 in class AbstractStructureChecker
      Parameters:
      molecule - the Molecule instance to be checked for problems
      Returns:
      a StructureCheckerResult which contains all the indices of the problematic components
    • createResult

      protected abstract StructureCheckerResult createResult(Molecule molecule, List<E> componentList)
      Creates a StructureCheckerResult from a List containing the components.
      Parameters:
      molecule - is a Molecule instance
      componentList - is an instance of List containing the problematic components
      Returns:
      a StructureCheckerResult containing all problematic component indices
    • check

      protected abstract boolean check(Molecule molecule, E component)
      Checks if the component with index i has problem
      Parameters:
      molecule - is a Molecule instance
      component - the current component to check
      Returns:
      true if the component has problem, false otherwise