Class ResidueTorsionAngles

  • Direct Known Subclasses:
    ImmutableResidueTorsionAngles

    @Immutable
    public abstract class ResidueTorsionAngles
    extends Object
    A collection of torsion angles values for a single residue.
    • Constructor Detail

      • ResidueTorsionAngles

        public ResidueTorsionAngles()
    • Method Detail

      • calculate

        public static ResidueTorsionAngles calculate​(List<PdbResidue> residues,
                                                     int index)
        Calculates all torsion angles' values in the given residue.
        Parameters:
        residues - The list of all residues.
        index - The index of residue in the list.
        Returns:
        An instance of this class with all torsion angles' values calculated.
      • identifier

        @Parameter(order=1)
        public abstract PdbResidueIdentifier identifier()
        Returns:
        The residue identifier.
      • values

        @Parameter(order=2)
        protected abstract List<TorsionAngleValue> values()
        Returns:
        The list of torsion angles' values.
      • value

        public final Angle value​(TorsionAngleType type)
        Finds the value of specific torsion angle type in this collection.
        Parameters:
        type - The type of torsion angle to look for.
        Returns:
        The value of torsion angle in this residue or NaN if none found.
      • value

        public final Angle value​(MasterTorsionAngleType masterType)
        Finds the value of a master torsion angle type in this collection.
        Parameters:
        masterType - The master torsion angle tyoe to look for.
        Returns:
        The value of torsion angle in this residue or NaN if none found.