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2adf5211e6
* Add many new c++ catch2 performance benchmarks. * inline splitmix64 from boost, splitmix64 is not always available in boost. fun fact, this version is ~twice as fast * reduce intensity of memory pressure test, target 200MB usage. * new bench compound; accept suggestion from code review * bench MolToCXSmiles * Update Code/Bench/stereo.cpp * impl first part of the suggestions from code reveiw * impl second part of the suggestions from code reveiw
26 lines
694 B
C++
26 lines
694 B
C++
#include <catch2/catch_all.hpp>
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#include <string>
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#include "bench_common.hpp"
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#include <GraphMol/SmilesParse/SmilesParse.h>
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#include <GraphMol/Fingerprints/MorganGenerator.h>
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using namespace RDKit;
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TEST_CASE("MorganFingerprints::getFingerprint", "[fingerprint]") {
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auto samples = bench_common::load_samples();
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const auto radius = 2;
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std::unique_ptr<FingerprintGenerator<uint64_t>> gen(
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MorganFingerprint::getMorganGenerator<uint64_t>(radius));
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BENCHMARK("MorganFingerprints::getFingerprint") {
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auto sum = 0;
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for (auto &mol : samples) {
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std::unique_ptr<ExplicitBitVect> fp(gen->getFingerprint(mol));
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sum += fp->getNumOnBits();
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}
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return sum;
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};
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}
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