Class DistanceBasedMetalloceneFixer

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

@PublicApi public class DistanceBasedMetalloceneFixer extends AbstractStructureFixer
A descendant of AbstractStructureFixer which converts incorrectly drawn metallocenes into multicenter based coordinate bond representation. The upper and lower bound of the "sandwich" structure will be determined by the euclidean distance from the metal ion.
Since:
Marvin 5.4
  • Constructor Details

    • DistanceBasedMetalloceneFixer

      public DistanceBasedMetalloceneFixer()
  • 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