feat: add structure visualization option using ASE (--view / -w)#23
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Seems you are using me but didn't get OPENAI_API_KEY seted in Variables/Secrets for this repo. you could follow readme for more information |
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Seems you are using me but didn't get OPENAI_API_KEY seted in Variables/Secrets for this repo. you could follow readme for more information |
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Seems you are using me but didn't get OPENAI_API_KEY seted in Variables/Secrets for this repo. you could follow readme for more information |
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Description
Resolves #18. This PR adds the
-w/--viewflag to launch a quick 3D structure viewer using ASE.Changes
-w/--viewtoparse_argsinsrc/cellify/cli.py.ase.visualize.viewat the end ofmain()insrc/cellify/cli.py.tests/test_cellify.pycovering both success and error-handling paths of the--viewflag (by patchingase.visualize.view).