Struct Query 

pub struct Query { /* private fields */ }

A parsed and reusable selection plan.

Implementations

impl Query

pub fn references(&self) -> Vec<&str>

Names this query refers to, in ascending order and without repeats.

These are the definitions the query depends on directly; a definition’s own references are its own dependencies. Runtime is O(E).

impl Query

pub fn compile(source: &str) -> Result<Self, Vec<Diagnostic>>

Compiles textual selection syntax into a reusable typed plan.

Errors

Returns registered diagnostics for lexical, syntax and type errors.

pub fn from_builder(builder: Builder) -> Self

Creates a reusable query from the typed builder surface.

pub fn source(&self) -> &str

Canonical parser input for this immutable query.

pub fn fingerprint(&self) -> QueryFingerprint

Stable identity of the normalized typed query plan.

pub fn within(radius: f32, target: Self) -> Self

Selects atoms within radius of target.

pub fn by_residue(target: Self) -> Self

Expands the selected atoms to their complete residues.

pub fn residues_within(radius: f32, target: Self) -> Self

Selects complete residues within radius of target.

pub fn logical_plan(&self) -> LogicalPlan

Returns the storage-independent plan produced by either input surface.

pub fn plan( &self, structure: &Structure, policy: &AnalysisPolicy, ) -> PhysicalQuery

Binds this query to a structure dictionary and analysis policy.

pub fn evaluate( &self, structure: &Structure, policy: &AnalysisPolicy, groups: &Groups, spatial: Option<&dyn SpatialResolver>, ) -> Result<Evaluation, Vec<Diagnostic>>

Evaluates against the whole first-model topology.

Errors

Returns diagnostics when required data or a spatial resolver is absent.

pub fn evaluate_in( &self, structure: &Structure, universe: &AtomSelection, policy: &AnalysisPolicy, groups: &Groups, spatial: Option<&dyn SpatialResolver>, ) -> Result<Evaluation, Vec<Diagnostic>>

Evaluates inside a current view; global escapes to the whole topology.

Errors

Returns the same diagnostics as Query::evaluate.

Trait Implementations

impl BitAnd for Query

type Output = Query

The resulting type after applying the & operator.

fn bitand(self, right: Self) -> Self::Output

Performs the & operation.

impl BitOr for Query

type Output = Query

The resulting type after applying the | operator.

fn bitor(self, right: Self) -> Self::Output

Performs the | operation.

impl Clone for Query

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Query

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

Formats the value using the given formatter.

impl From<Builder> for Query

fn from(builder: Builder) -> Self

Converts to this type from the input type.

impl Not for Query

type Output = Query

The resulting type after applying the ! operator.

fn not(self) -> Self::Output

Performs the unary ! operation.