Best Practices

Best Practices

1. Always validate before conversion

   pythonCopy

   report = validate_coefficients(results, strict=True)
   if not report.is_valid:
       raise ValueError(f"Invalid coefficients: {report.errors}")
   

2. Check mesh quality before use

   pythonCopy

   report = handler.validate_mesh(mesh)
   if report.quality_score < 70:
       print("Warning: Low mesh quality")
   

3. Use native parsers for reliability

   • Native Python parsers don't require BEMRosetta executable
   • BEMRosetta executable provides extended features when available

4. Handle missing data gracefully

   pythonCopy

   warnings = converter.validate_input(results)
   for w in warnings:
       logger.warning(w)