Class MoleculeUtil


  • @Deprecated
    @PublicAPI
    public class MoleculeUtil
    extends Object
    Deprecated.
    as of Marvin 5.11.1
    Molecule editing utility methods.
    Since:
    Marvin 5.3, 09/16/2009
    • Constructor Detail

      • MoleculeUtil

        public MoleculeUtil()
        Deprecated.
    • Method Detail

      • arrangeCrossingBonds

        @Deprecated
        public static void arrangeCrossingBonds​(MolBond bond,
                                                Molecule mol,
                                                boolean front)
        Deprecated.
        as of Marvin 5.11.1 use MoleculeGraph.setBond(int, MolBond)
        Arranges a bond of the molecule: brings to the first or last place according to indices.
        Parameters:
        bond - the bond to move
        mol - the molecule that contains the bond
        front - Where to move the bond. If true, then the bond is moved to the first place, otherwise to the last place.
      • getCrossingBonds

        @Deprecated
        public static MolBond[] getCrossingBonds​(MolBond[] b,
                                                 DPoint3 e1,
                                                 DPoint3 e2)
        Deprecated.
        as of Marvin 5.11.1
        Searches for the bonds, that crosses a segment.
        Parameters:
        b - array of bonds to get the crossing bonds from
        e1 - first endpoint of the segment
        e2 - second endpoint of the segment
        Returns:
        array of bonds, that crosses the segment