rdkit.ML.KNN.DistFunctions module — The RDKit 2016.09.1 documentation

# rdkit.ML.KNN.DistFunctions module

`rdkit.ML.KNN.DistFunctions.` `EuclideanDist`(ex1, ex2, attrs)

      >>> v1 = [0,1,0,1]
      >>> v2 = [1,0,1,0]
      >>> EuclideanDist(v1,v2,range(4))
      2.0
      >>> EuclideanDist(v1,v1,range(4))
      0.0
      >>> v2 = [0,0,0,1]
      >>> EuclideanDist(v1,v2,range(4))
      1.0
      >>> v2 = [0,.5,0,.5]
      >>> abs(EuclideanDist(v1,v2,range(4))-1./math.sqrt(2))<1e-4
      1

`rdkit.ML.KNN.DistFunctions.` `TanimotoDist`(ex1, ex2, attrs)

      >>> v1 = [0,1,0,1]
      >>> v2 = [1,0,1,0]
      >>> TanimotoDist(v1,v2,range(4))
      1.0
      >>> v2 = [1,0,1,1]
      >>> TanimotoDist(v1,v2,range(4))
      0.75
      >>> TanimotoDist(v2,v2,range(4))
      0.0

  # this tests Issue 122 >>> v3 = [0,0,0,0] >>> TanimotoDist(v3,v3,range(4)) 1.0