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// Copyright 2017 Global Phasing Ltd.
// Microbenchmark of gemmi::find_element().
// Requires the google/benchmark library. It can be built manually:
// c++ -Wall -O2 -I../include -I$GB/include elem.cpp $GB/src/libbenchmark.a -pthread
#include "gemmi/elem.hpp"
#include "gemmi/fprime.hpp"
#include <stdlib.h> // for rand
#include <benchmark/benchmark.h>
inline void run(benchmark::State& state, const char (&el)[10][3]) {
while (state.KeepRunning())
for (int i = 0; i != 10; ++i)
benchmark::DoNotOptimize(gemmi::find_element(el[i]));
}
static void pyridoxine_elements(benchmark::State& state) {
constexpr char el[10][3] =
{ "C", "C", "N", "C", "C", "C", "C", "O", "C", "O", /*"C", "O"*/ };
run(state, el);
}
static void common_elements(benchmark::State& state) {
constexpr char el[10][3] =
{ "C", "N", "O", "S", "Mg", "C", "C", "O", "H", "N" };
run(state, el);
}
static void various_elements(benchmark::State& state) {
constexpr char el[10][3] =
{ "Se", "C", "Mg", "P", "Br", "Cl", "C", "O", "Ca", "Si" };
run(state, el);
}
static void heavy_elements(benchmark::State& state) {
constexpr char el[10][3] =
{ "Se", "Pb", "Au", "Hg", "Br", "Po", "W", "Ag", "U", "Og" };
run(state, el);
}
static void run_fprime(benchmark::State& state) {
const double energy = 12398.4197386209 / (0.5 + (double)rand() / RAND_MAX);
while (state.KeepRunning())
for (int i = 3; i != 50; ++i)
benchmark::DoNotOptimize(gemmi::cromer_liberman(i, energy, nullptr));
}
BENCHMARK(pyridoxine_elements);
BENCHMARK(common_elements);
BENCHMARK(various_elements);
BENCHMARK(heavy_elements);
BENCHMARK(run_fprime);
BENCHMARK_MAIN();
/* Output from my desktop:
-----------------------------------------------------------
Benchmark Time CPU Iterations
-----------------------------------------------------------
pyridoxine_elements 11 ns 11 ns 64656977
common_elements 16 ns 16 ns 43586668
various_elements 86 ns 86 ns 8055870
heavy_elements 332 ns 332 ns 2142365
*/
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