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fix(rfd3): cast symmetry frames to map dtype in batched collate - #419
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symmetry_maps wrote each frame's rotation and translation straight into float32 tensors, so an int64 translation raised "Index put requires the source and destination dtypes match" before the first diffusion step. Fixes RosettaCommons#418 Signed-off-by: mayuriphad <mayuriphad656@gmail.com>
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Fixes #418
symmetry_mapsinrfd3/inference/batching.pycopies each frame's rotation and translation straight into the preallocated float32 maps. When a frame arrives as an integer tensor (for example the int64 zero translation in a C2 design), the index put fails with:The legacy (non-batched) path does not hit this because it applies the frames with arithmetic, which promotes the dtype.
This casts
randtto the destination dtype and device before writing them.Test
Added
test_symmetry_maps_accept_integer_framestomodels/rfd3/tests/test_rfd3_batch_symmetry.py: it collates an example whose frames arelongtensors and checks the maps come back as float32 with the right translation. Onproductionwithout the fix it fails with the error above; with the fix the full CPU suite passes (pytest, mypy and ruff green on my fork).