analyze_silicates#
- analyze_silicates(source, types_map=None, cutoff=1.85)[source]#
- analyze_silicates(source, types_map=None, cutoff=1.85)
- analyze_silicates(source, types_map=None, cutoff=1.85)
Entry point for analyzing silicate network structures.
Merges provided custom atom types with presets and delegates to the appropriate analysis method based on input type (AtomicSystem or mda.Universe).
- Parameters:
- sourceAtomicSystem or mda.Universe
The source structure or trajectory to analyze.
- types_mapdict, optional
Custom mapping of atom types for Si, O, Al, and Ca.
- cutofffloat, optional
The distance cutoff for defining atomic neighbors (in Angstroms).
- Returns:
- dict
A dictionary containing chemical ratios, mean chain length (MCL), and the Q^n distribution.