rdkit.Chem.FeatMaps.FeatMapUtils module — The RDKit 2016.09.1 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)