mod boundary_transport¶
- module boundary_transport¶
Transport proposals from observed attraction-region crossings. Transport proposals from observed attraction-region boundary crossings.
A crossing displacement is empirical target-blind evidence. It is aligned from its recorded source frame to the current structure, combined with a centred perturbation, constrained, and returned for the caller’s ordinary quench and fresh physical validation.
Functions
- fn boundary_transport(current: ArrayView1<f64>, crossing: &ObservedCrossing, noise: ArrayView1<f64>, config: &BoundaryTransportConfig) -> Result<Array1<f64>, BoundaryTransportError>¶
Align, perturb, and constrain an observed boundary-crossing displacement.
Enums
- enum BoundaryTransportError¶
Invalid crossing evidence or geometry constraints.
- CartesianDimension¶
Coordinates must contain at least one complete Cartesian triple.
- CrossingDimension¶
Recorded source and destination dimensions differ.
- InputDimension¶
Current state, crossing, and perturbation dimensions differ.
- NonFiniteInput¶
A coordinate contains NaN or infinity.
- InvalidScale¶
Noise scale or trust radius lies outside its domain.
- FrozenDimension¶
A nonempty frozen mask must match the coordinate dimension.
- InvalidRigidAtom¶
A rigid group contains an atom outside the current structure.
- PartiallyFrozenRigidGroup¶
A rigid group cannot mix frozen and mobile atoms.
Structs and Unions
- struct BoundaryTransportConfig¶
Perturbation and physical-constraint parameters.
- noise_scale: f64¶
Multiplier for the supplied zero-information stochastic draw.
- trust_radius: f64¶
Maximum Cartesian norm of the transported step.
- frozen_coordinates: Vec<bool>¶
Coordinate-level mask; true coordinates remain fixed.
- rigid_groups: Vec<Vec<usize>>¶
Atom-index groups retracted to their nearest finite rigid motions.
Implementations
- impl BoundaryTransportConfig¶
Functions
- fn unconstrained(trust_radius: f64) -> Self¶
Construct an unconstrained transport configuration.
- struct ObservedCrossing¶
One observed source-to-destination crossing on the quenched landscape.
Implementations
- impl ObservedCrossing¶
Functions
- fn from(&self) -> ArrayView1<'_, f64>¶
Recorded source coordinates.
- fn new(from: Array1<f64>, to: Array1<f64>) -> Result<Self, BoundaryTransportError>¶
Validate and retain a crossing in its recorded Cartesian frame.
- fn to(&self) -> ArrayView1<'_, f64>¶
Recorded destination coordinates.