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choderalab/protons

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benchmarks/benchmarker.py

Summary

Maintainability
A
45 mins
Test Coverage

Function main has 6 arguments (exceeds 4 allowed). Consider refactoring.
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def main(niterations,nsteps,integrator,mc_titration,context,titration_benchmark):
Severity: Minor
Found in benchmarks/benchmarker.py - About 45 mins to fix

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