Struct StructureSpatial 

pub struct StructureSpatial<'a> { /* private fields */ }

A spatial resolver bound to one immutable structure snapshot.

Implementations

impl<'a> StructureSpatial<'a>

pub fn new( structure: &'a Structure, policy: &AnalysisPolicy, backend: SpatialBackend, context: &'a ExecutionContext, ) -> Result<Self, Diagnostic>

Creates a resolver under the policy’s periodicity decision.

Errors

Returns E5004 when periodicity is requested without a valid unit cell.

pub fn new_with_options( structure: &'a Structure, policy: &AnalysisPolicy, options: SpatialSearchOptions, context: &'a ExecutionContext, ) -> Result<Self, Diagnostic>

Creates a resolver under explicit spatial planning options.

Errors

Returns a diagnostic for invalid options or periodic cell data.

pub fn cached_index_count(&self) -> usize

Number of structure-bound indices currently retained for reuse.

pub fn pairs_with_backend( &self, query: &AtomSelection, target: &AtomSelection, cutoff: f32, requested_backend: SpatialBackend, ) -> Result<Vec<NeighborPair>, Diagnostic>

Searches one pair workload while retaining indices in this resolver.

The resolver itself is configured with Auto in a reusable plan. A request may still pin a concrete backend; the target index is keyed by that backend, cutoff and selection, so compatible operations share the construction without changing the requested algorithm.

Errors

Returns a diagnostic when the requested backend cannot be planned or the spatial kernel rejects the workload.

Trait Implementations

impl<'a> Debug for StructureSpatial<'a>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl SpatialResolver for StructureSpatial<'_>

fn resolve( &self, request: GeometricRequest<'_>, ) -> Result<AtomSelection, Diagnostic>

Resolves one query-language geometric request.

Each variant delegates to a focused helper to keep dispatch separate from individual spatial algorithms.