Implement an implied default compartment when compartment definitions are omitted #27
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Describes the change proposed in #26.
ma3ke
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Though we may come back to this notion later (yet I doubt it), I'm closing this now. |
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These two configurations now produce the same behavior.
{ "space": { "size": [100, 100, 100], - "compartments": [ - { - "id": "main", - "shape": "spherical" - } - ], "resolution": 0.5 }, "output": { "title": "3lyz", "dir": "outputs" }, "segments": [ { "name": "3lyz", "number": 100000, - "compartments": ["main"], "path": "structures/3lyz.pdb" } ] }In case a
"compartments"field is set for any of the segments, an error is thrown describing that the implied"compartments"definition in the"space"section is valid only if no segment has a"compartments"field.