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v1.0.0-rc.112 (#18)
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Browse Source 
This is an UNSTABLE release and not recommended for production use (please use rc.11 instead).

* jfjoch_broker: Experimental rotation (3D) indexing
* jfjoch_broker: Minor fix to error in optimizer potentially returning NaN values

Reviewed-on: #18
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
This commit was merged in pull request #18.
This commit is contained in:
leonarski_f
2025-11-30 17:39:22 +01:00
committed by leonarski_f
parent 9bc71cfddc
commit 06949caf1a
186 changed files with 1133 additions and 537 deletions
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10
tests/IndexingUnitTest.cpp
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@@ -54,8 +54,8 @@ TEST_CASE("FastFeedbackIndexer","[Indexing]") {
experiment.SetUnitCell(c);
indexer->Setup(experiment);
auto ret = indexer->Run(recip, recip.size());
REQUIRE(!ret.empty());
auto ret = indexer->Run(recip);
REQUIRE(!ret.lattice.empty());
//auto uc = ret[0].GetUnitCell();
//REQUIRE(c.a == Catch::Approx(uc.a));
@@ -64,9 +64,9 @@ TEST_CASE("FastFeedbackIndexer","[Indexing]") {
double err[3] = {0.0, 0.0, 0.0};
for (const auto &iter: recip) {
err[0] += round_err(ret[0].Vec0() * iter);
err[1] += round_err(ret[0].Vec1() * iter);
err[2] += round_err(ret[0].Vec2() * iter);
err[0] += round_err(ret.lattice[0].Vec0() * iter);
err[1] += round_err(ret.lattice[0].Vec1() * iter);
err[2] += round_err(ret.lattice[0].Vec2() * iter);
}
REQUIRE (err[0] < 0.001 * recip.size());
REQUIRE (err[1] < 0.001 * recip.size());