Class MoleculeFeaturesTool

java.lang.Object
org.openscience.cdk.tools.features.MoleculeFeaturesTool

public class MoleculeFeaturesTool extends Object
Utility that helps determine which data features are present.
Author:
egonw
See Also:
Source code:
main
  • Constructor Details

    • MoleculeFeaturesTool

      public MoleculeFeaturesTool()
  • Method Details

    • hasPartialCharges

      public static boolean hasPartialCharges(IAtomContainer molecule)
    • hasFormalCharges

      public static boolean hasFormalCharges(IAtomContainer molecule)
    • hasElementSymbols

      public static boolean hasElementSymbols(IAtomContainer molecule)
    • hasGraphRepresentation

      public static boolean hasGraphRepresentation(IAtomContainer molecule)
      Checks whether all bonds have exactly two atoms.