Add single crystal norm

pyproject.toml

@@ -5,6 +5,7 @@ build-backend = "maturin"
 [project]
 name = "scippneutron_algorithms"
 description = "Optimized and compile algorithms for ScippNeutron"
+version = "26.7.0"
 authors = [{ name = "Scipp contributors" }]
 license = "BSD-3-Clause"
 license-files = ["LICENSE"]
@@ -21,12 +22,12 @@ classifiers = [
     "Topic :: Scientific/Engineering",
     "Typing :: Typed",
 ]
-dynamic = ["version"]
 requires-python = ">=3.11"
 
 dependencies = [
     "numpy>=2",
     "scipp>=25.11.0",
+    "scipy>=1.7.0",
 ]
 
 [dependency-groups]
@@ -46,6 +47,9 @@ python = "3.11.*"
 "Source" = "https://github.com/scipp/scippneutron_algorithms"
 
 [tool.maturin]
+profile = "release"
+editable-profile = "dev"
+manifest-path = "rust/crates/algo_bindings/Cargo.toml"
 module-name = "scippneutron_algorithms._scippneutron_algorithms_lib"
 
 [tool.pytest.ini_options]
@@ -72,7 +76,7 @@ extend-exclude = [
 
 [tool.ruff.lint]
 # See https://docs.astral.sh/ruff/rules/
-select = ["B", "C4", "DTZ", "E", "F", "G", "I", "PERF", "PGH", "PT", "PYI", "RUF", "S", "T20", "UP", "W"]
+select = ["B", "C4", "D", "DTZ", "E", "F", "G", "I", "FBT", "FURB", "PERF", "PGH", "PT", "PYI", "RUF", "S", "T20", "UP", "W"]
 ignore = [
     # Conflict with ruff format, see
     # https://docs.astral.sh/ruff/formatter/#conflicting-lint-rules
@@ -85,8 +89,12 @@ pydocstyle.convention = "numpy"
 [tool.ruff.lint.per-file-ignores]
 # those files have an increased risk of relying on import order
 "tests/*" = [
-    "S101", # asserts are fine in tests
     "B018", # 'useless expressions' are ok because some tests just check for exceptions
+    "D",  # no need for docstrings in the tests
+    "S101", # asserts are fine in tests
+]
+"tools/*" = [
+    "D",
 ]
 
 [tool.mypy]

rust/Cargo.toml

@@ -1,13 +1,12 @@
-[package]
-name = "_scippneutron_algorithms_lib"
-version = "26.7.0"
-edition = "2024"
+[workspace]
+members = ["crates/*"]
+resolver = "2"
 
-[lib]
-name = "_scippneutron_algorithms_lib"
-crate-type = ["cdylib"]
+[workspace.package]
+edition = "2024"
+rust-version = "1.91"
 
-[dependencies]
+[workspace.dependencies]
 ndarray = "0.17.2"
 numpy = "0.29"
 pyo3 = { version = "0.29", features = ["abi3", "abi3-py311"] }

rust/crates/algo_bindings/Cargo.toml

@@ -0,0 +1,16 @@
+[package]
+name = "_scippneutron_algorithms_lib"
+version = "0.0.0"  # The version is set in pyproject.toml
+edition.workspace = true
+rust-version.workspace = true
+
+[lib]
+name = "_scippneutron_algorithms_lib"
+crate-type = ["cdylib"]
+
+[dependencies]
+algo_impl = { path = "../algo_impl" }
+
+ndarray = { workspace = true }
+numpy = { workspace = true }
+pyo3 = { workspace = true }

rust/crates/algo_bindings/src/lib.rs

@@ -0,0 +1,47 @@
+// SPDX-License-Identifier: BSD-3-Clause
+// Copyright (c) 2026 Scipp contributors (https://github.com/scipp)
+
+use pyo3::prelude::*;
+
+#[pymodule]
+mod _scippneutron_algorithms_lib {
+    use numpy::{IntoPyArray, PyArray4, PyReadonlyArray1, PyReadonlyArray2};
+    use pyo3::prelude::*;
+
+    #[pyfunction]
+    #[pyo3(signature = (*, start, stop, solid_angle, grid, n_threads=None, block_size=None))]
+    fn compute_single_crystal_norm<'py>(
+        py: Python<'py>,
+        start: PyReadonlyArray2<'py, f64>,
+        stop: PyReadonlyArray2<'py, f64>,
+        solid_angle: PyReadonlyArray1<'py, f64>,
+        grid: (
+            PyReadonlyArray1<'py, f64>,
+            PyReadonlyArray1<'py, f64>,
+            PyReadonlyArray1<'py, f64>,
+            PyReadonlyArray1<'py, f64>,
+        ),
+        n_threads: Option<usize>,
+        block_size: Option<usize>,
+    ) -> Bound<'py, PyArray4<f64>> {
+        use algo_impl::normalization::single_crystal_norm::{
+            Grid, ThreadConfig, compute_single_crystal_norm,
+        };
+
+        let grid = Grid::new(
+            grid.0.as_array(),
+            grid.1.as_array(),
+            grid.2.as_array(),
+            grid.3.as_array(),
+        );
+
+        compute_single_crystal_norm(
+            start.as_array(),
+            stop.as_array(),
+            solid_angle.as_array(),
+            grid,
+            ThreadConfig::new(n_threads, block_size),
+        )
+        .into_pyarray(py)
+    }
+}

rust/crates/algo_impl/Cargo.toml

@@ -0,0 +1,8 @@
+[package]
+name = "algo_impl"
+version = "0.0.0"  # The version is set in pyproject.toml
+edition.workspace = true
+rust-version.workspace = true
+
+[dependencies]
+ndarray = { workspace = true }

rust/crates/algo_impl/src/lib.rs

@@ -0,0 +1,4 @@
+// SPDX-License-Identifier: BSD-3-Clause
+// Copyright (c) 2026 Scipp contributors (https://github.com/scipp)
+
+pub mod normalization;

rust/crates/algo_impl/src/normalization/mod.rs

@@ -0,0 +1,4 @@
+// SPDX-License-Identifier: BSD-3-Clause
+// Copyright (c) 2026 Scipp contributors (https://github.com/scipp)
+
+pub mod single_crystal_norm;