rdkit.DataStructs.UnitTestcBitVect module

unit testing code for the C++ BitVects

class rdkit.DataStructs.UnitTestcBitVect.ExplicitTestCase(methodName='runTest')

Bases: rdkit.DataStructs.UnitTestcBitVect.VectTests, unittest.case.TestCase

klass

alias of ExplicitBitVect

class rdkit.DataStructs.UnitTestcBitVect.SparseBitVectTests(methodName='runTest')

Bases: rdkit.DataStructs.UnitTestcBitVect.VectTests, unittest.case.TestCase

klass

alias of SparseBitVect

class rdkit.DataStructs.UnitTestcBitVect.VectTests

Bases: object

testAllBitSim()

test All Bit Similarity measure

testFingerprints()

testFold()

test folding fingerprints

testNumBitsInCommon()

test calculation of Number of Bits in Common

testOffBitProjSimilarity()

test OffBitProjSimilarity

testOffBitsInCommon()

test OffBitsInCommon

testOnBitProjSimilarity()

test OnBitProjSimilarity

testOnBitSim()

test On Bit Similarity measure

testOnBitsInCommon()

test OnBitsInCommon

testOtherSims()

test other similarity measures

testPkl()

testQuickSims()

the asymmetric similarity stuff (bv,pkl)

testSparseBitGet()

test operations to get sparse bits

testSparseBitOps()

test bit operations on SparseBitVects

testSparseIdx()

test indexing into SparseBitVects

testStringOps()

test serialization operations

testTanimotoSim()

test Tanimoto Similarity measure

rdkit.DataStructs.UnitTestcBitVect.feq(n1, n2, tol=0.0001)

rdkit.DataStructs.UnitTestcBitVect.ieq(n1, n2)