Could not save per-structure metrics

[tesitify]

When I used the command "mattergen-evaluate --structures_path=$RESULTS_PATH --relax=True --structure_matcher='disordered' --save_as='metrics.json' --save_detailed_as='detailed_metrics.json' ", however, the error code showed " Could not consume arg: --save_detailed_as=detailed_metrics.json ". Could you please tell me how to resolve this issue?

[Wael El Ghazzawi (identity-wael)]

--save_detailed_as is present in the current mattergen/scripts/evaluate.py: main() accepts it and passes it to evaluate(). Your spelling matches that interface.

That makes an installed-version/environment mismatch the first thing to check. In the environment where you run the command:

mattergen-evaluate -- --help
python -c "import inspect; import mattergen.scripts.evaluate as e; print(e.__file__); print(inspect.signature(e.main))"

If the signature doesn't include save_detailed_as, that environment is loading an older implementation. If it does, but the executable's help doesn't, the mattergen-evaluate executable may belong to a different Python environment. You can bypass that ambiguity by invoking the module with the interpreter you just inspected:

python -m mattergen.scripts.evaluate \
  --structures_path="$RESULTS_PATH" \
  --relax=True \
  --structure_matcher=disordered \
  --save_as=metrics.json \
  --save_detailed_as=detailed_metrics.json

This isn't a quoting change to fix the parser; it only helps if that imported version supports the argument. If it doesn't, update the installation in that same environment to a revision containing the parameter. The imported path and signature would identify which case you're hitting before rerunning an expensive evaluation.