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Description
When the ProForma parsing fails in simulate_token_scores, you get the following error:
ProForma failed on: [UNIMOD:5][UNIMOD:385]-EEEEHQEEEEDNNR
Traceback (most recent call last):
File "/algo/./output_mapper.py", line 102, in <module>
output_data = output_mapper.format_output(output_data)
File "/algo/base/output_mapper.py", line 130, in format_output
output_data["aa_scores"] = output_data.apply(
File "/opt/conda/envs/PrimeNovo/lib/python3.10/site-packages/pandas/core/frame.py", line 9565, in apply
return op.apply().__finalize__(self, method="apply")
File "/opt/conda/envs/PrimeNovo/lib/python3.10/site-packages/pandas/core/apply.py", line 746, in apply
return self.apply_standard()
File "/opt/conda/envs/PrimeNovo/lib/python3.10/site-packages/pandas/core/apply.py", line 873, in apply_standard
results, res_index = self.apply_series_generator()
File "/opt/conda/envs/PrimeNovo/lib/python3.10/site-packages/pandas/core/apply.py", line 889, in apply_series_generator
results[i] = self.f(v)
File "/algo/base/output_mapper.py", line 131, in <lambda>
lambda row: self.simulate_token_scores(row["score"], row["sequence"]),
File "/algo/base/output_mapper.py", line 90, in simulate_token_scores
scores = [str(pep_score),] * n_tokens
UnboundLocalError: local variable 'n_tokens' referenced before assignment
I encountered this when running pi-PrimeNovo on the human_antibodies_trypsin dataset.
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