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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
42 lines
1.0 KiB
C++
42 lines
1.0 KiB
C++
#include <catch2/catch_all.hpp>
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#include <string>
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#include <sstream>
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#include "bench_common.hpp"
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#include <GraphMol/MolPickler.h>
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#include <GraphMol/SmilesParse/SmilesParse.h>
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using namespace RDKit;
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TEST_CASE("MolPickler::pickleMol", "[pickle]") {
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auto samples = bench_common::load_samples();
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BENCHMARK("MolPickler::pickleMol") {
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std::stringstream buf;
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for (auto &mol : samples) {
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MolPickler::pickleMol(mol, buf);
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}
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return buf.str().size();
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};
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}
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TEST_CASE("MolPickler::molFromPickle", "[pickle]") {
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auto samples = bench_common::load_samples();
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std::vector<std::string> pickles;
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pickles.reserve(samples.size());
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for (auto &mol : samples) {
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std::string pickled;
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MolPickler::pickleMol(mol, pickled);
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pickles.push_back(std::move(pickled));
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}
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BENCHMARK("MolPickler::molFromPickle") {
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auto total_atoms = 0;
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for (auto &pickled : pickles) {
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ROMol res(pickled);
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total_atoms += res.getNumAtoms();
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}
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REQUIRE(total_atoms > 0);
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return total_atoms;
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};
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}
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