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Indexer: Add more general Run() call with reciprocal coordinates to accommodate more demanding schemes

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leonarski_f
2025-11-29 13:59:52 +01:00
parent b6b6bab064
commit 4225173daa
12 changed files with 61 additions and 52 deletions
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tests/FFTIndexerTest.cpp
+3 -3
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@@ -36,11 +36,11 @@ TEST_CASE("FFTIndexer") {
logger.Info("Spots {}", vec.size());
auto start = std::chrono::high_resolution_clock::now();
auto result = indexer->Run(vec, vec.size());
auto result = indexer->Run(vec);
auto end = std::chrono::high_resolution_clock::now();
REQUIRE(result.size() == 1);
auto uc_out = result[0].GetUnitCell();
REQUIRE(result.lattice.size() == 1);
auto uc_out = result.lattice[0].GetUnitCell();
CHECK(uc_out.a == Catch::Approx(uc.a));;
CHECK(uc_out.b == Catch::Approx(uc.b));;
CHECK(uc_out.c == Catch::Approx(uc.c));;