teareduce 0.3.0__tar.gz → 0.3.5__tar.gz

{teareduce-0.3.0/src/teareduce.egg-info → teareduce-0.3.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: teareduce
-Version: 0.3.0
+Version: 0.3.5
 Summary: Utilities for astronomical data reduction
 Author-email: Nicolás Cardiel <cardiel@ucm.es>
 License: GPL-3.0-or-later
@@ -22,6 +22,7 @@ Description-Content-Type: text/markdown
 License-File: LICENSE.txt
 Requires-Dist: astropy
 Requires-Dist: importlib_resources
+Requires-Dist: lmfit
 Requires-Dist: matplotlib
 Requires-Dist: numpy>=1.20
 Requires-Dist: scipy

{teareduce-0.3.0 → teareduce-0.3.5}/pyproject.toml

@@ -3,7 +3,7 @@
 # (include packages imported in the different modules; otherwise
 # a ModuleNotFoundError is raised when using $ pip install -e .)
 requires = ["setuptools >= 43.0.0", "wheel", "numpy",
-            "astropy", "matplotlib", "scipy", "tqdm"]
+            "astropy", "matplotlib", "scipy", "lmfit", "tqdm"]
 build-backend = "setuptools.build_meta"
 
 [project]
@@ -33,6 +33,7 @@ classifiers = [
 dependencies = [
     "astropy",
     "importlib_resources",  # required with python < 3.9
+    "lmfit",
     "matplotlib",
     "numpy >= 1.20",
     "scipy",

{teareduce-0.3.0 → teareduce-0.3.5}/src/teareduce/__init__.py

@@ -14,6 +14,7 @@ from .ctext import ctext
 from .draw_rectangle import draw_rectangle
 from .elapsed_time import elapsed_time
 from .imshow import imshow
+from .numsplines import AdaptiveLSQUnivariateSpline
 from .peaks_spectrum import find_peaks_spectrum, refine_peaks_spectrum
 from .polfit import polfit_residuals, polfit_residuals_with_sigma_rejection
 from .robust_std import robust_std

teareduce-0.3.5/src/teareduce/numsplines.py

@@ -0,0 +1,232 @@
+#
+# Copyright 2019-2024 Universidad Complutense de Madrid
+#
+# This file is part of teareduce
+#
+# SPDX-License-Identifier: GPL-3.0-or-later
+# License-Filename: LICENSE.txt
+#
+
+"""Numerical spline fit using different strategies."""
+
+from lmfit import Minimizer, Parameters
+import numpy as np
+from scipy.interpolate import LSQUnivariateSpline
+
+
+def fun_residuals(params, xnor, ynor, w, bbox, k, ext):
+    """Compute fit residuals"""
+
+    spl = LSQUnivariateSpline(
+        x=xnor,
+        y=ynor,
+        t=[item.value for item in params.values()],
+        w=w,
+        bbox=bbox,
+        k=k,
+        ext=ext,
+        check_finite=False
+    )
+    return spl.get_residual()
+
+
+class AdaptiveLSQUnivariateSpline(LSQUnivariateSpline):
+    """Extend scipy.interpolate.LSQUnivariateSpline.
+
+    One-dimensional spline with explicit internal knots.
+
+    This is actually a wrapper of
+    `scipy.interpolate.LSQUnivariateSpline`
+    with the addition of using adaptive knot location determined
+    numerically (after normalising the x and y arrays before
+    the minimisation process).
+
+    Parameters
+    ----------
+    x : (N,) array_like
+        Input dimension of data points -- must be increasing
+    y : (N,) array_like
+        Input dimension of data points
+    t : (M,) array_like or int
+        When integer it indicates the number of equidistant
+        interior knots. When array_like it provides the location
+        of the interior knots of the spline; must be in ascending
+        order and::
+
+         bbox[0] < t[0] < ... < t[-1] < bbox[-1]
+
+    w : (N,) array_like, optional
+        weights for spline fitting.  Must be positive.
+        If None (default), weights are all equal.
+    bbox : (2,) array_like, optional
+        2-sequence specifying the boundary of the approximation
+        interval. If None (default), ``bbox = [x[0], x[-1]]``.
+    k : int, optional
+        Degree of the smoothing spline.  Must be 1 <= `k` <= 5.
+        Default is k=3, a cubic spline.
+    ext : int or str, optional
+        Controls the extrapolation mode for elements
+        not in the interval defined by the knot sequence.
+
+        * if ext=0 or 'extrapolate', return the extrapolated value.
+        * if ext=1 or 'zeros', return 0
+        * if ext=2 or 'raise', raise a ValueError
+        * if ext=3 of 'const', return the boundary value.
+
+        The default value is 0.
+
+    check_finite : bool, optional
+        Whether to check that the input arrays contain only finite
+        numbers, that the x array is increasing and that the
+        x and y arrays are 1-D and with the same length.
+        Disabling may give a performance gain, but may
+        result in problems (crashes, non-termination or non-sensical
+        results) if the inputs do contain infinities or NaNs.
+        Default is True.
+    adaptive : bool, optional
+        Whether to optimise knot location following the procedure
+        described in Cardiel (2009); see:
+        http://cdsads.u-strasbg.fr/abs/2009MNRAS.396..680C
+        Default is True.
+    tolerance : float, optional
+        Tolerance for Nelder-Mead minimisation process.
+
+    Attributes
+    ----------
+    _params : instance of Parameters()
+        Initial parameters before minimisation.
+    _result : Minimizer output
+        Result of the minimisation process.
+
+    See also
+    --------
+    LSQUnivariateSpline : Superclass
+
+    """
+
+    def __init__(self, x, y, t, w=None, bbox=(None, None),
+                 k=3, ext=0, check_finite=False, adaptive=True,
+                 tolerance=1E-7):
+        """One-dimensional spline with explicit internal knots."""
+
+        if check_finite:
+            # check here the arrays instead of in the base class
+            # (note that in the call to super(...).__init(...) the
+            # parameter check_finite is set to False)
+            w_finite = np.isfinite(x).all() if w is not None else True
+            if not np.isfinite(x).all() or not np.isfinite(y).all() or \
+                    not w_finite:
+                raise ValueError('Input(s) must not contain '
+                                 'NaNs or infs.')
+
+            if np.asarray(x).ndim != 1:
+                raise ValueError('x array must have dimension 1')
+
+            if np.asarray(y).ndim != 1:
+                raise ValueError('y array must have dimension 1')
+
+            if np.asarray(x).shape != np.asarray(y).shape:
+                raise ValueError('x and y arrays must have the same length')
+
+            if not all(np.diff(x) > 0.0):
+                raise ValueError('x array must be strictly increasing')
+
+        # initial inner knot location (equidistant or fixed)
+        try:
+            nknots = int(t)
+            if nknots > 0:
+                xmin = x[0]
+                xmax = x[-1]
+                deltax = (xmax - xmin) / float(nknots + 1)
+                xknot = np.zeros(nknots)
+                for i in range(nknots):
+                    xknot[i] = (xmin + float(i + 1) * deltax)
+            else:
+                xknot = np.array([])
+        except (ValueError, TypeError):
+            xknot = np.asarray(t)
+            if check_finite:
+                if not np.isfinite(xknot).all():
+                    raise ValueError('Interior knots must not contain '
+                                     'NaNs or infs.')
+                if xknot.ndim != 1:
+                    raise ValueError('t array must have dimension 1')
+            nknots = len(xknot)
+
+        # adaptive knots
+        if nknots > 0 and adaptive:
+            xknot_backup = xknot.copy()
+
+            # normalise the x and y arrays to the [-1, +1] interval
+            xmin = x[0]
+            xmax = x[-1]
+            ymin = np.min(y)
+            ymax = np.max(y)
+            bx = 2.0 / (xmax - xmin)
+            cx = (xmin + xmax) / (xmax - xmin)
+            by = 2.0 / (ymax - ymin)
+            cy = (ymin + ymax) / (ymax - ymin)
+            xnor = bx * np.asarray(x) - cx
+            ynor = by * np.asarray(y) - cy
+            xknotnor = bx * xknot - cx
+            params = Parameters()
+            for i in range(nknots):
+                if i == 0:
+                    xminknot = bx * x[0] - cx
+                    xmaxknot = (xknotnor[i] + xknotnor[i+1]) / 2.0
+                elif i == nknots - 1:
+                    xminknot = (xknotnor[i-1] + xknotnor[i]) / 2.0
+                    xmaxknot = bx * x[-1] - cx
+                else:
+                    xminknot = (xknotnor[i-1] + xknotnor[i]) / 2.0
+                    xmaxknot = (xknotnor[i] + xknotnor[i+1]) / 2.0
+                params.add(
+                    name=f'xknot{i:03d}',
+                    value=xknotnor[i],
+                    min=xminknot,
+                    max=xmaxknot,
+                    vary=True
+                )
+            self._params = params.copy()
+            fitter = Minimizer(
+                userfcn=fun_residuals,
+                params=params,
+                fcn_args=(xnor, ynor, w, bbox, k, ext)
+            )
+            try:
+                self._result = fitter.scalar_minimize(
+                    method='Nelder-Mead',
+                    tol=tolerance
+                )
+                xknot = [item.value for item in self._result.params.values()]
+                xknot = (np.asarray(xknot) + cx) / bx
+            except ValueError:
+                print('Error when fitting adaptive splines. '
+                      'Reverting to initial knot location.')
+                xknot = xknot_backup.copy()
+                self._result = None
+        else:
+            self._params = None
+            self._result = None
+
+        # final fit
+        super(AdaptiveLSQUnivariateSpline, self).__init__(
+            x=x,
+            y=y,
+            t=xknot,
+            w=w,
+            bbox=bbox,
+            k=k,
+            ext=ext,
+            check_finite=False
+        )
+
+    def get_params(self):
+        """Return initial parameters for minimisation process."""
+
+        return self._params
+
+    def get_result(self):
+        """Return result of minimisation process."""
+
+        return self._result

{teareduce-0.3.0 → teareduce-0.3.5}/src/teareduce/version.py

@@ -8,7 +8,7 @@
 # License-Filename: LICENSE.txt
 #
 
-version = '0.3.0'
+version = '0.3.5'
 
 
 def main():

{teareduce-0.3.0 → teareduce-0.3.5/src/teareduce.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: teareduce
-Version: 0.3.0
+Version: 0.3.5
 Summary: Utilities for astronomical data reduction
 Author-email: Nicolás Cardiel <cardiel@ucm.es>
 License: GPL-3.0-or-later
@@ -22,6 +22,7 @@ Description-Content-Type: text/markdown
 License-File: LICENSE.txt
 Requires-Dist: astropy
 Requires-Dist: importlib_resources
+Requires-Dist: lmfit
 Requires-Dist: matplotlib
 Requires-Dist: numpy>=1.20
 Requires-Dist: scipy

{teareduce-0.3.0 → teareduce-0.3.5}/src/teareduce.egg-info/SOURCES.txt

@@ -9,6 +9,7 @@ src/teareduce/ctext.py
 src/teareduce/draw_rectangle.py
 src/teareduce/elapsed_time.py
 src/teareduce/imshow.py
+src/teareduce/numsplines.py
 src/teareduce/peaks_spectrum.py
 src/teareduce/polfit.py
 src/teareduce/robust_std.py

{teareduce-0.3.0 → teareduce-0.3.5}/src/teareduce.egg-info/requires.txt

@@ -1,5 +1,6 @@
 astropy
 importlib_resources
+lmfit
 matplotlib
 numpy>=1.20
 scipy