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4 months ago 4be5c5f padix-key:bond-bug pull_request

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Fix panic if bond refers to missing atoms
#25
padix-key:bond-bug
4 months ago

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Benchmarks

test_read
benchmarks/test_get.py::test_read
1.6 ms
test_get_remark
benchmarks/test_get.py::test_get_remark
179.1 µs
test_set_structure
benchmarks/test_set.py::test_set_structure
6.9 ms
test_set_structure_with_bonds
benchmarks/test_set.py::test_set_structure_with_bonds
8 ms
test_get_coord
benchmarks/test_get.py::test_get_coord
581.5 µs
test_get_structure
benchmarks/test_get.py::test_get_structure
3.9 ms
test_get_structure_with_bonds
benchmarks/test_get.py::test_get_structure_with_bonds
60.6 ms
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