rdkit.DataStructs package — The RDKit 2016.09.1 documentation

# rdkit.DataStructs package

## Submodules

- rdkit.DataStructs.BitEnsemble module
- rdkit.DataStructs.BitEnsembleDb module
- rdkit.DataStructs.BitUtils module
- rdkit.DataStructs.HierarchyVis module
- rdkit.DataStructs.LazySignature module
- rdkit.DataStructs.TopNContainer module
- rdkit.DataStructs.UnitTestBitEnsemble module
- rdkit.DataStructs.UnitTestDocTests module
- rdkit.DataStructs.UnitTestTopNContainer module
- rdkit.DataStructs.UnitTestcBitVect module
- rdkit.DataStructs.VectCollection module
- rdkit.DataStructs.test_list module

## Module contents

Module containing an assortment of functionality for basic data structures.

At the moment the data structures defined are:
  Bit Vector classes (for storing signatures, fingerprints and the like:
    - ExplicitBitVect: class for relatively small (10s of thousands of bits) or

        dense bit vectors.

    - SparseBitVect: class for large, sparse bit vectors

  DiscreteValueVect: class for storing vectors of integers SparseIntVect: class for storing sparse vectors of integers

`rdkit.DataStructs.` `FingerprintSimilarity`(fp1, fp2, metric=<Boost.Python.function object at 0x2ed5f30>)

  returns the calculated similarity between two fingerprints, handles any folding that may need to be done to ensure that they are compatible

`rdkit.DataStructs.` `FoldToTargetDensity`(fp, density=0.3, minLength=64)