Class RgroupAttachmentFixer

java.lang.Object
chemaxon.fixers.AbstractStructureFixer
chemaxon.fixers.RgroupAttachmentFixer
All Implemented Interfaces:
StructureFixer

@PublicApi public class RgroupAttachmentFixer extends AbstractStructureFixer
A descendant of AbstractStructureFixer that can fix attachment errors in R-group definition members. Errors are fixed according to the corresponding R-atoms, provided that they have the same number of bonds with the same bond types.

R-group definition members are fixed as follows:

  • superfluous attachment points are removed;
  • missing attachment points are added if their positions can be determined unambiguously (with respect to valences);
  • the type of attachment bonds are set according to the bonds of the R-atoms.
Since:
Marvin 5.6
  • Constructor Details

    • RgroupAttachmentFixer

      public RgroupAttachmentFixer()
  • Method Details

    • fix

      public boolean fix(StructureCheckerResult result)
      Description copied from interface: StructureFixer
      Fixes one molecule problem identified by the result
      Parameters:
      result - is an instance of StructureCheckerResult which identifies the problem
      Returns:
      true if the fix was successful false otherwise