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Spatial multiomics primitives (neighbour graphs, Moran's I, nhood enrichment, Ripley, co-occurrence) — Python bindings.

Project description

sm-rust — Python bindings

Spatial multiomics primitives from the sm-rust crate (neighbour graphs, Moran's I, Geary's C, local LISA statistics — Local Moran's I, Local Getis-Ord G_i/G_i*, Local Geary's C — neighbourhood enrichment, Ripley F/G/L, co-occurrence, ligand-receptor, sepal, niche detection, per-cell neighbourhood metrics — local density, distance to nearest cell of a type, diversity bundle (Shannon / Simpson / inverse-Simpson / richness / Pielou) and homophily / mixing fraction), exposed to Python via PyO3 + maturin.

Layout

  • sm_rust._native — the compiled extension module: Cells, Neighbors, every compute_* function returning result dataclass-like objects with numpy arrays. Mirrors the Node/wasm binding surface.
  • sm_rust.gr — squidpy-shaped wrappers that consume AnnData directly: spatial_neighbors, spatial_autocorr, nhood_enrichment, interaction_matrix, centrality_scores, co_occurrence, ripley, ligrec, sepal. The output shape (column names, .uns keys) matches squidpy.gr so existing notebooks can drop this in.

Build (host)

pip install maturin
maturin develop --release --features python-bindings,parallel

Build (docker, recommended)

The repo's docker-compose.yml ships a pyo3 service that builds a wheel into python/dist/:

docker compose run --rm pyo3

Quick start

Low-level API:

import numpy as np
from sm_rust import _native as sm

cells = sm.cells_from_coords_py(np.random.rand(1000), np.random.rand(1000))
labels = np.random.randint(0, 3, 1000).astype(np.uint8)
neighbors = sm.Neighbors.knn(6)

res = sm.compute_nhood_enrichment_py(cells, labels, neighbors, n_clusters=3)
print(res.count.reshape(3, 3))
print(res.zscore.reshape(3, 3))

Local (LISA) statistics — one score per cell, returned as parallel numpy arrays (mirroring esda.Moran_Local / Geary_Local / G_Local). Pass permutations=0 for the observed map only (conditional-null fields become NaN):

values = np.random.rand(1000)   # a continuous attribute / marker intensity

lm = sm.compute_local_moran_i_py(cells, values, neighbors, permutations=999, seed=42)
print(lm.Is, lm.q, lm.p_sim)         # local I, HH/LH/LL/HL quadrant, pseudo p

lg = sm.compute_local_geary_c_py(cells, values, neighbors, permutations=999)
print(lg.local_g, lg.p_sim)

# Getis-Ord hot-/cold-spot map; star=True selects G_i* (includes the focal cell).
go = sm.compute_local_getis_ord_py(cells, values, neighbors, star=True)
print(go.z, go.p_norm)               # standardised z-score + normal p-value

Per-cell neighbourhood metrics — one summary per cell over the supplied Neighbors graph, returned as parallel numpy arrays (cells with no neighbours hold NaN):

# Local cell density: neighbour count + area-normalised density (count / πr²).
den = sm.compute_local_density_py(cells, neighbors)
print(den.count, den.density)

# Diversity of the neighbour cell-type composition (vegan conventions:
# simpson = 1 - Σp², inverse_simpson = 1/Σp², pielou = H / ln(richness)).
div = sm.compute_local_diversity_py(cells, labels, n_clusters=3, neighbors=neighbors)
print(div.richness, div.shannon, div.simpson, div.inverse_simpson, div.pielou)

# Homophily: fraction of neighbours sharing the focal cell's label (+ mixing).
hom = sm.compute_homophily_py(cells, labels, neighbors)
print(hom.homophily, hom.mixing)

# Distance from every cell to the nearest *other* cell of a target type (NaN
# where none exists; None if the target label is absent).
d = sm.compute_distance_to_nearest_type_py(cells, labels, target=1)
print(d)

squidpy-style API:

import sm_rust as smr
import anndata as ad

smr.gr.spatial_neighbors(adata, coord_type="generic", n_neighs=6)
smr.gr.spatial_autocorr(adata, mode="moran", genes=adata.var_names[:50])
smr.gr.nhood_enrichment(adata, cluster_key="leiden")

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