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- Add scattering_f0 property to AtomData (defaults to 1.0) - Create FormFactorAtomicConstant class using atom-specific form factors - Normalize scattering intensity by sum of squared form factors (Σfᵢ²) - Update ScatteringFunction to use Scatterer struct with position and atom id - Add tests for new form factor functionality - Update documentation in analysis.md and topology.md Backwards compatible: when scattering_f0=1.0 (default), normalization by Σfᵢ² equals normalization by N, giving identical results.
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Summary
scattering_f0property toAtomDatafor atom-specific scattering form factors (defaults to 1.0)FormFactorAtomicConstantFormFactorAtomicConstantFormFactorAtomicConstantscattering_f0 = 1.0, normalization is identical to beforeUsage
Test plan
FormFactorAtomicConstantscattering_f0JSON serialization