packing_defect.core.analyzers.base

Classes

AnalysisResult(data, meta)

BaseDefectAnalyzer(universe, output_dir[, ...])

Abstract base class for all defect analyzers.
class packing_defect.core.analyzers.base.AnalysisResult(data: Dict[str, Any], meta: Dict[str, Any])[source]

Bases: object

data: Dict[str, Any]
meta: Dict[str, Any]
class packing_defect.core.analyzers.base.BaseDefectAnalyzer(universe, output_dir: str, lipid_types=None)[source]

Bases: ABC

Abstract base class for all defect analyzers. Defines a standard interface for running analyses and plotting results.

abstractmethod plot(*args, **kwargs)[source]

Generate plots of the analysis results.

abstractmethod run()[source]

Execute the analysis over the trajectory. Must populate self.results.

save_results(filename: str, data)[source]

Save results to a file inside output_dir.