Duplicate check

Forward compute, locate, and ghost_cells always enforce a private backend-safety floor before native insertion. The standalone helpers documented below remain explicit user-threshold diagnostics; the forward duplicate_check, duplicate_threshold, and duplicate_wrap arguments cannot weaken mandatory safety.

`pyvoro2.duplicates`

Duplicate / near-duplicate point detection.

Voro++ contains an internal "duplicate" safeguard that can terminate the process (via exit(1)) if it detects two points closer than an absolute threshold (~1e-5 in container distance units).

This module provides the public diagnostic helper. Native-facing operations add an independent mandatory safety floor in the private generator-preparation layer, so turning an optional diagnostic off never weakens backend safety.

Expected complexity is O(n) for typical inputs.

`DuplicateError`

Bases: ValueError

Raised when near-duplicate points are detected.

`duplicate_check(points, *, threshold=1e-05, domain=None, wrap=True, mode='raise', max_pairs=10)`

Detect point pairs closer than an absolute threshold.

Parameters:

Name	Type	Description	Default
`points`	`Any`	Array-like of shape (n, 3).	required
`threshold`	`float`	Absolute distance threshold. The default (1e-5) matches the public strict-distance diagnostic threshold.	`1e-05`
`domain`	`Domain \| None`	Optional domain. If provided and `wrap=True`, points are first remapped into the primary periodic domain for periodic domains, matching native-facing preparation. Periodic candidate generation is seam-complete and final distances use certified minimum-image geometry.	`None`
`wrap`	`bool`	Whether to remap points into the primary domain when `domain` has periodicity. With `wrap=False`, preserve the unwrapped Cartesian distance check.	`True`
`mode`	`Literal['raise', 'warn', 'return']`	Behavior when duplicates are found: - 'raise' (default): raise :class:`DuplicateError` - 'warn': emit a RuntimeWarning and return the pairs - 'return': return the pairs without warnings	`'raise'`
`max_pairs`	`int`	Maximum number of pairs to include in the report.	`10`

Returns:

Type	Description
`tuple[DuplicatePair, ...]`	Tuple of DuplicatePair records (possibly empty).

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