rdkit.Chem.FeatMaps package

Submodules

• rdkit.Chem.FeatMaps.FeatMapParser module
  • FeatMapParseError
  • FeatMapParser
    • FeatMapParser.Parse()
    • FeatMapParser.ParseFeatPointBlock()
    • FeatMapParser.ParseParamBlock()
    • FeatMapParser.SetData()
    • FeatMapParser.data
• rdkit.Chem.FeatMaps.FeatMapPoint module
  • FeatMapPoint
    • FeatMapPoint.GetDirMatch()
    • FeatMapPoint.GetDist2()
    • FeatMapPoint.featDirs
    • FeatMapPoint.initFromFeat()
    • FeatMapPoint.weight
• rdkit.Chem.FeatMaps.FeatMapUtils module
  • CombineFeatMaps()
  • DirMergeMode
    • DirMergeMode.NoMerge
    • DirMergeMode.Sum
    • DirMergeMode.valid()
  • GetFeatFeatDistMatrix()
  • MergeFeatPoints()
  • MergeMethod
    • MergeMethod.Average
    • MergeMethod.UseLarger
    • MergeMethod.WeightedAverage
    • MergeMethod.valid()
  • MergeMetric
    • MergeMetric.Distance
    • MergeMetric.NoMerge
    • MergeMetric.Overlap
    • MergeMetric.valid()
  • familiesMatch()
  • feq()
• rdkit.Chem.FeatMaps.FeatMaps module
  • FeatDirScoreMode
    • FeatDirScoreMode.DotFullRange
    • FeatDirScoreMode.DotPosRange
    • FeatDirScoreMode.Ignore
  • FeatMap
    • FeatMap.AddFeatPoint()
    • FeatMap.AddFeature()
    • FeatMap.DropFeature()
    • FeatMap.GetFeatFeatScore()
    • FeatMap.GetFeature()
    • FeatMap.GetFeatures()
    • FeatMap.GetNumFeatures()
    • FeatMap.ScoreFeats()
    • FeatMap.dirScoreMode
    • FeatMap.params
    • FeatMap.scoreMode
  • FeatMapParams
    • FeatMapParams.FeatProfile
      • FeatMapParams.FeatProfile.Box
      • FeatMapParams.FeatProfile.Gaussian
      • FeatMapParams.FeatProfile.Triangle
    • FeatMapParams.featProfile
    • FeatMapParams.radius
    • FeatMapParams.width
  • FeatMapScoreMode
    • FeatMapScoreMode.All
    • FeatMapScoreMode.Best
    • FeatMapScoreMode.Closest

Module contents