add odr_fit, a new interface inspired from scipy.optimize.curve_fit

.github/workflows/build-wheels.yml

@@ -85,23 +85,23 @@ jobs:
           name: cibw-sdist
           path: dist/*.tar.gz
 
-  upload_pypi:
-    name: Publish to PyPI
-    needs: [build_wheels, build_sdist]
-    runs-on: ubuntu-latest
-    environment:
-      name: pypi
-    permissions:
-      id-token: write
-    # if: github.event_name == 'release' && github.event.action == 'published'
-    steps:
-      - uses: actions/download-artifact@v4
-        with:
-          pattern: cibw-*
-          path: dist
-          merge-multiple: true
+#   upload_pypi:
+#     name: Publish to PyPI
+#     needs: [build_wheels, build_sdist]
+#     runs-on: ubuntu-latest
+#     environment:
+#       name: pypi
+#     permissions:
+#       id-token: write
+#     # if: github.event_name == 'release' && github.event.action == 'published'
+#     steps:
+#       - uses: actions/download-artifact@v4
+#         with:
+#           pattern: cibw-*
+#           path: dist
+#           merge-multiple: true
 
-      - uses: pypa/gh-action-pypi-publish@release/v1
+#       - uses: pypa/gh-action-pypi-publish@release/v1
 
   # upload_test_pypi:
   #   name: Publish to TestPyPI

docs/examples/explicit-model.ipynb

@@ -29,7 +29,7 @@
     "import matplotlib.pyplot as plt\n",
     "import numpy as np\n",
     "\n",
-    "from odrpack import odr"
+    "from odrpack import odr_fit"
    ]
   },
   {
@@ -45,19 +45,19 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "x = np.array([0.100, 0.300, 0.400, 0.500, 0.600, 0.700, 0.800])\n",
-    "y = np.array([0.059, 0.243, 0.364, 0.486, 0.583, 0.721, 0.824])"
+    "xdata = np.array([0.100, 0.300, 0.400, 0.500, 0.600, 0.700, 0.800])\n",
+    "ydata = np.array([0.059, 0.243, 0.364, 0.486, 0.583, 0.721, 0.824])"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "def f(beta: np.ndarray, x: np.ndarray) -> np.ndarray:\n",
     "    b1, b2 = beta\n",
-    "    return (b1*x**2 + x*(1-x))/(b1*x**2 + 2*x*(1-x) + b2*(1-x)**2)"
+    "    return (b1*x**2 + x*(1 - x))/(b1*x**2 + 2*x*(1 - x) + b2*(1 - x)**2)"
    ]
   },
   {
@@ -95,15 +95,15 @@
     "sigma_x = 0.01\n",
     "sigma_y = 0.05\n",
     "\n",
-    "wd = 1/sigma_x**2\n",
-    "we = 1/sigma_y**2"
+    "weight_x = 1/sigma_x**2\n",
+    "weight_y = 1/sigma_y**2"
    ]
   },
   {
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "We can now launch the regression! If you want to see a brief computation report, set `iprint=1001`."
+    "We can now launch the regression! If you want to see a brief computation report, set `report='short'`."
    ]
   },
   {
@@ -112,7 +112,9 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "sol = odr(f, beta0, y, x, lower=lower, upper=upper, we=we, wd=wd)"
+    "sol = odr_fit(f, xdata, ydata, beta0,\n",
+    "              bounds=(lower, upper),\n",
+    "              weight_x=weight_x, weight_y=weight_y)"
    ]
   },
   {
@@ -199,7 +201,7 @@
     "_, ax = plt.subplots()\n",
     "\n",
     "# Plot experimental data\n",
-    "ax.plot(x, y, 'o')\n",
+    "ax.plot(xdata, ydata, 'o')\n",
     "\n",
     "# Plot fitted model\n",
     "xm = np.linspace(0.0, 1.0, 100)\n",

docs/reference/index.md

@@ -1,6 +1,6 @@
 :::odrpack
     options:
         members:
-            - odr
+            - odr_fit
             - OdrResult
             - OdrStop

meson.build

@@ -1,7 +1,7 @@
 project(
   'odrpack',
   ['cpp'],
-  version : '0.2.0',
+  version : '0.3.0',
   meson_version: '>=1.5.0',
   default_options: [
     'buildtype=release',
@@ -36,11 +36,12 @@ nanobind_ext = python.extension_module(
 python.install_sources(
   [
   'src/odrpack/__init__.py',
-  'src/odrpack/driver.py',
+  'src/odrpack/__odrpack.pyi',
+  'src/odrpack/odr_fortran.py',
+  'src/odrpack/odr_scipy.py',
   'src/odrpack/exceptions.py',
   'src/odrpack/result.py',
   'src/odrpack/py.typed',
-  'src/odrpack/__odrpack.pyi',
   ],
   subdir: 'odrpack'
 )

src/odrpack/__init__.py

@@ -9,8 +9,9 @@
 to the observations of the dependent variable.
 """
 
-__version__ = '0.2.0'
+__version__ = '0.3.0'
 
-from odrpack.driver import *
 from odrpack.exceptions import *
+from odrpack.odr_fortran import *
+from odrpack.odr_scipy import *
 from odrpack.result import *