Module structure 

The normalised structure, the views over it, and the invariants it holds.

A structure is immutable and shared by reference; editing produces a new one. That is what makes handing out a pointer to the coordinates safe, and it is why a view keeps working after the structure it came from has been superseded — it holds its own reference to the snapshot it was made against.

Structs

AtomRef

One atom.

ChainRef

One chain.

CoordinateEditor

A private coordinate copy that becomes a new structure only on commit.

EnsembleBlock

The positions of several models of one dense ensemble, model-major.

EntryMetadata

What the entry as a whole says about itself.

ExtensionStore

Cold, typed metadata owned by a structure snapshot.

LabelRewrites

The normalised identifiers a distinct-label view rewrites.

MetadataDifference

Entry-level metadata changes.

MissingResidue

One canonical residue absent from the observed structure.

ModelRef

One model of a structure.

ReferenceAlignment

One canonical-to-reference interval from _struct_ref_seq.

ReferenceSequence

One database sequence named by _struct_ref.

ResidueRef

One residue.

SequenceMapping

One observed residue’s correspondence across sequence namespaces.

SequenceReferences

Typed reference sequence metadata attached to a structure.

Structure

An immutable structure, shared by reference.

StructureData

Everything a structure holds.

StructureDifference

Complete semantic difference summary for two normalised structures.

StructureDifferenceOptions

Explicit controls for semantic structure comparison.

StructureEditor

A private copy-on-write snapshot that becomes visible only on commit.

StructureView

A zero-copy subset of a structure.

UnitCell

The crystallographic cell.

ValueDifference

A value before and after a semantic change.

Enums

CoordinateStore

Where the positions of each model live.

DifferenceError

Why a structure comparison could not be performed.

Constants

SEQUENCE_REFERENCES_EXTENSION

Stable extension key for database sequence references and alignments.

Traits

ChainSequenceExt

Sequence views carried by a hierarchy chain handle.

Functions

altloc_compatible

Whether two atoms with these alternate labels can be present together.

compatible_pairs

The index pairs (i, j) with i < j whose labels are compatible.

structure_difference

Compares all normalised structure data with explicit coordinate tolerance.

validate

Checks every invariant, returning what was violated.

Type Aliases

CountDifference

A row count before and after a structural change.