Make generate_graph from GraphModelMixin standalone
#836
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misko
previously approved these changes
Sep 10, 2024
lbluque
reviewed
Sep 10, 2024
src/fairchem/core/common/utils.py
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| @@ -779,6 +780,114 @@ def radius_graph_pbc( | |||
| return edge_index, unit_cell, num_neighbors_image | |||
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| def generate_graph_standalone( | |||
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can we just call it generate_graph? or is there a name clash somewhere that I missed?
misko
approved these changes
Sep 16, 2024
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This PR has been marked as stale because it has been open for 30 days with no activity. |
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Changes:
GraphModelMixin.generate_graphtocommon.utils, and backwards compatiblegenerate_graphclear (now if the input arguments are different from model attributes, unexpected behaviors could happen)Enhancements:
generate_graphfor dev (don't need to build a whole model)use_pbc_single