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choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home
MIT License
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Website generator fails if transformation.absolute_error is None #158

Closed jchodera closed 2 years ago

jchodera commented 2 years ago

Traceback:

Traceback (most recent call last):
  File "/home/server/miniconda/envs/fah-xchem-prod/bin/fah-xchem", line 33, in <module>
    sys.exit(load_entry_point('fah-xchem===pre-sprint-5-112.g780fb83', 'console_scripts', 'fah-xchem')())
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/app.py", line 242, in main
    fire.Fire({"run_analysis": run_analysis, "generate_artifacts": generate_artifacts})
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fire/core.py", line 141, in Fire
    component_trace = _Fire(component, args, parsed_flag_args, context, name)
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fire/core.py", line 466, in _Fire
    component, remaining_args = _CallAndUpdateTrace(
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fire/core.py", line 681, in _CallAndUpdateTrace
    component = fn(*varargs, **kwargs)
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/app.py", line 221, in generate_artifacts
    return fah_xchem.analysis.generate_artifacts(
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/analysis/__init__.py", line 411, in generate_artifacts
    waf.generate_website()
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/analysis/website/artifactory.py", line 302, in generate_website
    self.generate_retrospective_microstate_transformations(items_per_page)
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/analysis/website/artifactory.py", line 428, in generate_retrospective_microstate_transformations
    items=sorted(
  File "/home/server/miniconda/envs/fah-xchem-prod/lib/python3.8/site-packages/fah_xchem/analysis/website/artifactory.py", line 441, in <lambda>
    key=lambda transformation: -transformation.absolute_error.point,
AttributeError: 'NoneType' object has no attribute 'point'
jchodera commented 2 years ago

L439 should include the filter

and transformation.absolute_error is not None