Improve GetEnergy – Robust Error Handling, Efficiency, and Clarity #7
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Updated documentation and allow selection of different cutoffs
The main purpose is reading Lambda files from various runs is to capture data from different execution scenarios. For example, runs “run1,” “run2,” and “run3” may have only 1 execution, while runs “run4” and “run5” may have multiple replicates. a) Error handling for nbshift, checking the existence of directories b) Automatic detection of flattening vs production phase for each run c) reading lambda files in loops over range(NF) & range(nrep) changed to lambda_files d) simplified logic for reading relevant frames
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Summary
Key Improvements in
GetEnergy.py1️⃣ Robust Error Handling
•Added try-except blocks when loading bias shift files (b_shift.dat, c_shift.dat, etc.) to handle missing files gracefully.
•Checks if required directories (analysis[i]/data) exist before attempting to read files.
•Properly detects whether the script is running in flattening or production mode, exiting with an error if neither is met.
2️⃣ Improved Efficiency & Memory Optimization
• Optimized File Loading & Loop Structure
• Reduced redundant calculations by restructuring loops.
• Now detects production vs. flattening mode automatically
3️⃣ Better Readability & Maintainability
• Improved directory path handling using formatted strings instead of manual concatenation.
• More Descriptive Variable Names
Small improvement in
GetEnergy.py: Put scaling factors into the function definition to allow manipulation