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Merge branch 'rb-gpu-mask' into rb-gpu-core

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leonarski_f committed 2026-09-28 19:06:50 +02:00
2 parents 5c18de45a3 b94d7b9bbd
commit c8fc2a7067
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tests/ModelMaskGPUTest.cpp
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@@ -143,7 +143,7 @@ TEST_CASE("ModelMaskGPU_MatchesGemmi", "[ModelValidation][gpu]") {
const std::vector<ModelMaskAtom> atoms = MaskAtoms(st);
const std::vector<ModelMaskOp> ops = MaskOps(*sg);
CudaDevicePtr<ModelMaskAtom> atoms_d(atoms.size());
REQUIRE(cudaMemcpy(atoms_d, atoms.data(), atoms.size() * sizeof(ModelMaskAtom), cudaMemcpyHostToDevice) == cudaSuccess);
REQUIRE(cudaMemcpyAsync(atoms_d, atoms.data(), atoms.size() * sizeof(ModelMaskAtom), cudaMemcpyHostToDevice, stream) == cudaSuccess);
for (double d_min : {6.0, 3.5}) {
const gemmi::SolventMasker masker(gemmi::AtomicRadiiSet::Refmac);
@@ -164,7 +164,7 @@ TEST_CASE("ModelMaskGPU_MatchesGemmi", "[ModelValidation][gpu]") {
std::vector<float> out(n), first;
// The island step alone, on gemmi's pre-island mask: exact.
REQUIRE(cudaMemcpy(mask_d, pre.data.data(), n * sizeof(float), cudaMemcpyHostToDevice) == cudaSuccess);
REQUIRE(cudaMemcpyAsync(mask_d, pre.data.data(), n * sizeof(float), cudaMemcpyHostToDevice, stream) == cudaSuccess);
mask.RemoveIslands(mask_d);
REQUIRE(cudaMemcpyAsync(out.data(), mask_d, n * sizeof(float), cudaMemcpyDeviceToHost, stream) == cudaSuccess);
REQUIRE(cudaStreamSynchronize(stream) == cudaSuccess);