Line Reconstruction DXA

Reconstruct dislocation lines via DXA from an upstream cluster package and DXA-style geometric parameters.

Reconstructs the dislocation network with the Dislocation eXtraction Algorithm (DXA) from upstream per-atom structure-identification artifacts (an annotated dump plus cluster tables). If cluster tables aren't supplied, the Python wrapper runs Polyhedral Template Matching inline to generate them.

Parameters

Parameter	Type	Default	Description
`crystalStructure`	`select`	`FCC`	Reference crystal structure. Options: `FCC`, `BCC`, `HCP`, `CUBIC_DIAMOND`, `HEX_DIAMOND`.
`crystalPathSteps`	`number`	`4`	Maximum crystal-path steps used for edge vectors (min `1`, step `1`).
`alphaScale`	`number`	`3.5`	Alpha threshold scale relative to neighbor distance (min `0`, step `0.1`).
`smoothingIterations`	`number`	`0`	Taubin smoothing iterations applied to the reconstructed lines (min `0`, step `1`).
`linePointInterval`	`number`	`1.2`	Line coarsening interval (min `0`, step `0.1`).

The binary also accepts --tessellationGhostLayerScale (default 3.5) and --threads, neither exposed as a UI form input. The annotated dump, --clusters-table, and --clusters-transitions are required inputs wired in from the upstream structure-identification step.

Output

`{outputBase}_dislocations.parquet`

Primary result surfaced in the UI ("Dislocation Lines"), exported to GLB via LineExporter. A VOLT line entity table (one row per reconstructed, PBC-clipped line): fixed columns id and points; every other column is a per-line property that VOLT discovers, queries and styles generically.

Column	Type	Description
`id`	uint64	Line entity id.
`points`	list<list<double>>	Polyline vertices, each `[x, y, z]`.
`length`	double	Line length.
`num_points`	int64	Vertex count.
`magnitude`	double	Length of the local Burgers vector.
`burgers_vector_local`	list<double>	Burgers vector in the cluster lattice frame.
`burgers_vector_global`	list<double>	Burgers vector in the spatial frame.
`crystal_structure`	string	Structure name of the owning cluster.
`burgers_family`	string	Burgers family (classified via opendxa).
`burgers_family_label`	string	Display label.
`cluster_id`	int64	Owning cluster id.
`is_closed`	int64	1 when the reconstructed line is a closed loop.
`dislocation_type_id`	int64	Internal reconstruction type id.

`{outputBase}_dislocation_segments.parquet`

Individual raw segments (PBC-clipped chunks) in the same line entity table format, with a stage property marking the reconstruction stage instead of is_closed / dislocation_type_id. Not exposed in the UI by default.

`{outputBase}_unassigned_edges.parquet`

Tessellation edges that could not be assigned to a dislocation line.

interface UnassignedEdge {
    edge_id: int;
    position1: Vec3;
    position2: Vec3;
    atoms: [int, int];
    stage: int;
}

interface UnassignedEdgesOutput {
    main_listing: {
        unassigned_edges: int;
    };
    sub_listings: {
        unassigned_edges: UnassignedEdge[];
    };
}

`{outputBase}_interface_mesh.parquet`

The interface mesh separating good and bad crystal regions, as unwrapped vertices and facets.

interface MeshPoint {
    index: int;
    position: Vec3;
}

interface MeshFacet {
    vertices: int[];
    region: int;
}

interface InterfaceMeshOutput {
    main_listing: {
        total_nodes: int;
        total_facets: int;
    };
    sub_listings: {
        points: MeshPoint[];
        facets: MeshFacet[];
    };
}

`{outputBase}_simulation_cell.parquet`

Geometry of the simulation cell for the analyzed frame.

interface SimulationCellOutput {
    main_listing: {
        simulation_cells: int;
        volume: float;
        is_2d: bool;
        effective_dimensions: int;
        periodic_dimensions: int;
    };
    sub_listings: {
        simulation_cell: Array<{
            volume: float;
            is_2d: bool;
            effective_dimensions: int;
            a_x: float; a_y: float; a_z: float;
            b_x: float; b_y: float; b_z: float;
            c_x: float; c_y: float; c_z: float;
            a_length: float;
            b_length: float;
            c_length: float;
            pbc_x: bool;
            pbc_y: bool;
            pbc_z: bool;
        }>;
    };
}