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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
32 lines
784 B
C++
32 lines
784 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/Descriptors/Lipinski.h>
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using namespace RDKit;
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TEST_CASE("Descriptors::calcNumSpiroAtoms", "[descriptors]") {
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auto samples = bench_common::load_samples();
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BENCHMARK("Descriptors::calcNumSpiroAtoms") {
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auto sum = 0;
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for (auto &mol : samples) {
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sum += Descriptors::calcNumSpiroAtoms(mol);
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}
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return sum;
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};
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}
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TEST_CASE("Descriptors::calcNumBridgeheadAtoms", "[descriptors]") {
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auto samples = bench_common::load_samples();
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BENCHMARK("Descriptors::calcNumBridgeheadAtoms") {
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auto sum = 0;
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for (auto &mol : samples) {
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sum += Descriptors::calcNumBridgeheadAtoms(mol);
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}
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return sum;
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};
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}
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