Power fitting constraints

pyvoro2.powerfit.constraints

Constraint parsing and geometric normalization for inverse power fitting.

PairBisectorConstraints dataclass

Resolved pairwise separator constraints.

This object is the stable boundary between downstream pair-selection logic and pyvoro2's inverse solver. Each row refers to a specific ordered pair (i, j, shift) where shift is the lattice image applied to site j.

pair_labels(*, use_ids=False)

Return the left/right pair labels as indices or external ids.

subset(mask)

Return a subset with row order preserved.

to_records(*, use_ids=False)

Return one plain-Python record per constraint row.

resolve_pair_bisector_constraints(points, constraints, *, measurement='fraction', domain=None, ids=None, index_mode='index', image='nearest', image_search=1, confidence=None, allow_empty=False)

Parse and resolve pairwise separator constraints.

Parameters:

Name	Type	Description	Default
points	ndarray	Site coordinates with shape (n, d) where d is currently supported for planar (2D) and spatial (3D) workflows.	required
constraints	ConstraintInput	Raw constraint tuples (i, j, value[, shift]).	required
measurement	Literal['fraction', 'position']	Whether value is interpreted as a normalized fraction in [0, 1] or as an absolute position along the connector.	'fraction'
domain	DomainAny | None	Optional non-periodic or periodic domain.	None
ids	Sequence[int] | None	External ids used when index_mode='id'.	None
index_mode	Literal['index', 'id']	Interpret the first two tuple entries as internal indices or external ids.	'index'
image	Literal['nearest', 'given_only']	Shift resolution policy for tuples that do not specify a shift.	'nearest'
image_search	int	Search radius for nearest-image resolution in triclinic periodic 3D cells. It is ignored for the current planar backend.	1
confidence	Sequence[float] | None	Optional non-negative per-constraint weights.	None
allow_empty	bool	Allow zero constraints and return an empty resolved object.	False

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