Add search infrastructure

cleedpy/cli/search.py

@@ -0,0 +1,25 @@
+import click
+import numpy as np
+import yaml
+
+from .. import search
+
+
+@click.command("cli")
+@click.option("--config", "-c", help="Config file", required=True)
+def cli(config):
+    """Command line interface for the search tool"""
+    with open(config) as fobj:
+        data = yaml.safe_load(fobj)
+
+    x_init = np.array(data["x_init"])
+
+    def f(x):
+        return (x[0] - 2) ** 2 + (x[1] - 3) ** 2
+
+    res = search.simplex(f, x_init)
+    print(f"Solution: {res}")
+
+
+if __name__ == "__main__":
+    cli()

cleedpy/search.py

@@ -0,0 +1,12 @@
+from scipy import optimize
+
+
+def simplex(f, x0):
+    """Minimize a function using the Nelder-Mead simplex algorithm.
+
+    :param f: Function to minimize.
+    :param x0: Initial guess.
+    :return: Optimal value.
+    """
+    res = optimize.minimize(f, x0, method="Nelder-Mead", tol=1e-7)
+    return res.x

examples/search/input.yaml

@@ -0,0 +1 @@
+x_init: [0, 1]

pyproject.toml

@@ -25,6 +25,7 @@ dependencies = [
     "click",
     "numpy",
     "pyyaml",
+    "scipy",
 ]
 
 [project.optional-dependencies]
@@ -37,6 +38,7 @@ dev = [
 
 [project.scripts]
 cleedpy-rfactor = "cleedpy.cli.rfactor:cli"
+cleedpy-search = "cleedpy.cli.search:cli"
 
 [tool.setuptools]
 include-package-data = true

tests/test_search.py

@@ -0,0 +1,16 @@
+import numpy as np
+import pytest
+
+from cleedpy import search
+
+
+@pytest.mark.parametrize(
+    "f, x0, expected",
+    [
+        (lambda x: x[0] ** 2, [2], [0]),
+        (lambda x: (x[0] - 2) ** 2 + (x[1] - 3) ** 2, [0, 0], [2, 3]),
+    ],
+)
+def test_simplex(f, x0, expected):
+    res = search.simplex(f, x0)
+    assert np.isclose(res, np.array(expected), atol=1e-5).all()