mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
e0f3ada0d7
Also fixes the other similarity metrics. A very small amount of refactoring Co-authored-by: = <=>
44 lines
1.4 KiB
C++
44 lines
1.4 KiB
C++
//
|
|
// Copyright (C) 2024 Greg Landrum and other RDKit contributors
|
|
//
|
|
// @@ All Rights Reserved @@
|
|
// This file is part of the RDKit.
|
|
// The contents are covered by the terms of the BSD license
|
|
// which is included in the file license.txt, found at the root
|
|
// of the RDKit source tree.
|
|
//
|
|
|
|
#include <catch2/catch_all.hpp>
|
|
|
|
#include <RDGeneral/test.h>
|
|
#include "BitVects.h"
|
|
#include "BitOps.h"
|
|
#include "BitVectUtils.h"
|
|
#include "ExplicitBitVect.h"
|
|
#include "SparseIntVect.h"
|
|
#include <limits>
|
|
|
|
using namespace RDKit;
|
|
|
|
TEST_CASE("special cases for the limits of sparse vectors") {
|
|
SECTION("SparseBitVect") {
|
|
SparseBitVect sbv(std::numeric_limits<unsigned int>::max());
|
|
CHECK(sbv.getNumBits() == std::numeric_limits<unsigned int>::max());
|
|
CHECK(!sbv.setBit(std::numeric_limits<unsigned int>::max()));
|
|
CHECK(sbv.getBit(std::numeric_limits<unsigned int>::max()) == 1);
|
|
}
|
|
}
|
|
|
|
TEST_CASE("github #9033: tversky is 1 when no bits are set") {
|
|
ExplicitBitVect bv1(8);
|
|
ExplicitBitVect bv2(8);
|
|
CHECK(TverskySimilarity(bv1, bv2, 0.5, 0.5) == 0.0);
|
|
CHECK(TanimotoSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(CosineSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(KulczynskiSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(SokalSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(McConnaugheySimilarity(bv1, bv2) == 0.0);
|
|
CHECK(BraunBlanquetSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(RusselSimilarity(bv1, bv2) == 0.0);
|
|
CHECK(RogotGoldbergSimilarity(bv1, bv2) == 0.0);
|
|
} |