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Bug summary
I bumped into a performance issue when trying to load from a json file, which is quite bad for bigger/nested system. This is due to the bond_graph.compose step when adding each particle/children into the main compound. We need to add in some workaround to speed this process up.
Code to reproduce the behavior
Please include a code snippet that can be used to reproduce this bug.
importmbuildasmb#eth=mb.load("CC", smiles=True)
eth.name="Ethane"eth_box=mb.packing.fill_box(
compound=eth,
n_compounds=1000,
box=[5, 5, 5]
)
eth_box.name="EthaneBox"eth_box.save("eth_box1000.json", overwrite=True)
comp=mb.load("eth_box1000.json") # This will take a minute.
The text was updated successfully, but these errors were encountered:
Bug summary
I bumped into a performance issue when trying to load from a json file, which is quite bad for bigger/nested system. This is due to the
bond_graph.compose
step when adding each particle/children into the main compound. We need to add in some workaround to speed this process up.Code to reproduce the behavior
Please include a code snippet that can be used to reproduce this bug.
The text was updated successfully, but these errors were encountered: