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Description
The delete operator on PhaseAnalyzer seems to be tripping up. PR to follow
typical traceback below
OSError: /tmp/tmpyggicnli/c8c410b8-040b-480a-b0c8-8ff0ca0207f6/complex_rbfe.nc does not exist
DEBUG:mpiplus.mpiplus:Single node: executing <bound method MultiStateReporter.close of <openmmtools.multistate.multistatereporter.MultiStateReporter object at 0x7fbd785fcac0>>
Exception ignored in: <function PhaseAnalyzer.__del__ at 0x7fbdc6454f70>
Traceback (most recent call last):
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 581, in __del__
self.clear()
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 1227, in clear
super().clear()
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 597, in clear
self._invalidate_cache_values('reporter')
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 780, in _invalidate_cache_values
self._invalidate_cache_values(k)
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 780, in _invalidate_cache_values
self._invalidate_cache_values(k)
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 780, in _invalidate_cache_values
self._invalidate_cache_values(k)
[Previous line repeated 1 more time]
File "/home/richard/miniconda3/envs/openfe/lib/python3.9/site-packages/openmmtools/multistate/multistateanalyzer.py", line 777, in _invalidate_cache_values
self._computed_observables[observable] = None
AttributeError: 'MultiStateSamplerAnalyzer' object has no attribute '_computed_observables'
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