rdkit.Chem.FeatMaps.FeatMapUtils module — The RDKit 2025.09.6 documentation

# rdkit.Chem.FeatMaps.FeatMapUtils module

rdkit.Chem.FeatMaps.FeatMapUtils.CombineFeatMaps(fm1, fm2, mergeMetric=0, mergeTol=1.5, dirMergeMode=0)

  the parameters will be taken from fm1

class rdkit.Chem.FeatMaps.FeatMapUtils.DirMergeMode

  Bases: `object`

  NoMerge = 0
  Sum = 1
  classmethod valid(dirMergeMode)

    Check that dirMergeMode is valid

rdkit.Chem.FeatMaps.FeatMapUtils.GetFeatFeatDistMatrix(fm, mergeMetric, mergeTol, dirMergeMode, compatFunc)

  NOTE that mergeTol is a max value for merging when using distance-based merging and a min value when using score-based merging.

rdkit.Chem.FeatMaps.FeatMapUtils.MergeFeatPoints(fm, mergeMetric=0, mergeTol=1.5, dirMergeMode=0, mergeMethod=0, compatFunc=<function familiesMatch>)

  NOTE that mergeTol is a max value for merging when using distance-based merging and a min value when using score-based merging.

  returns whether or not any points were actually merged

class rdkit.Chem.FeatMaps.FeatMapUtils.MergeMethod

  Bases: `object`

  Average = 1
  UseLarger = 2
  WeightedAverage = 0
  classmethod valid(mergeMethod)

    Check that mergeMethod is valid

class rdkit.Chem.FeatMaps.FeatMapUtils.MergeMetric

  Bases: `object`

  Distance = 1
  NoMerge = 0
  Overlap = 2
  classmethod valid(mergeMetric)

    Check that mergeMetric is valid

rdkit.Chem.FeatMaps.FeatMapUtils.familiesMatch(f1, f2)

rdkit.Chem.FeatMaps.FeatMapUtils.feq(v1, v2, tol=0.0001)