Added MorphSqueeze and MorphFuncy tutorials (#226)

* tutorials: adding tutorials for MorphSqueeze and MorphFuncy, also corrected docstring tab

* tutorials: adding tutorials for MorphSqueeze and MorphFuncy, updated docstring tab

* tutorials: fogot news

* cleanup: remove tutorial additionalData folder and update news entry

Author: Luiskitsu

doc/source/morphpy.rst

@@ -189,7 +189,7 @@ through Python scripting.
 
        .. code-block:: python
 
-            from diffpy.morph.morph_api import morph, morph_default_config
+            from diffpy.morph.morphpy import morph_arrays
             import numpy as np
 
     2. Define a custom Python function to apply a transformation to the data.
@@ -215,39 +215,28 @@ through Python scripting.
             x_target = x_morph.copy()
             y_target = np.sin(x_target) * 20 * x_target + 0.8
 
-    4. Set up the morph configuration dictionary. This includes both the
-       transformation parameters (our initial guess) and the transformation
-       function itself:
+    4. Setup and run the morph using the ``morph_arrays(...)``.
+       ``morph_arrays`` expects the morph and target data as **2D arrays** in
+       *two-column* format ``[[x0, y0], [x1, y1], ...]``. This will apply
+       the user-defined function and refine the parameters to best align the
+       morph data with the target data. This includes both the transformation
+       parameters (our initial guess) and the transformation function itself:
 
        .. code-block:: python
 
-            morph_config = morph_default_config(funcy={"scale": 1.2, "offset": 0.1})
-            morph_config["function"] = linear_function
+            morph_params, morph_table = morph_arrays(np.array([x_morph, y_morph]).T,np.array([x_target, y_target]).T,
+            funcy=(linear_function,{'scale': 1.2, 'offset': 0.1}))
 
-            # morph_config now contains:
-            # {'funcy': {'scale': 1.2, 'offset': 0.1}, 'function': linear_function}
-
-    5. Run the morph using the ``morph(...)``. This will apply the user-defined
-       function and refine the parameters to best align the morph data
-       with the target data:
-
-       .. code-block:: python
-
-            morph_result = morph(x_morph, y_morph, x_target, y_target, **morph_config)
-
-    6. Extract the morphed output and the fitted parameters from the result:
+    5. Extract the fitted parameters from the result:
 
        .. code-block:: python
 
-            fitted_config = morph_result["morphed_config"]
-            x_morph_out, y_morph_out, x_target_out, y_target_out = morph_result["morph_chain"].xyallout
-
-            fitted_params = fitted_config["funcy"]
+            fitted_params = morph_params["funcy"]
             print(f"Fitted scale: {fitted_params['scale']}")
             print(f"Fitted offset: {fitted_params['offset']}")
 
 As you can see, the fitted scale and offset values match the ones used
 to generate the target (scale=20 & offset=0.8). This example shows how
 ``MorphFuncy`` can be used to fit and apply custom transformations. Now
 it's your turn to experiment with other custom functions that may be useful
-for analyzing your data.
+for analyzing your data.

doc/source/tutorials.rst

@@ -106,6 +106,84 @@ selected directory and plot resulting :math:`R_w` values from each morph.
    PDFs. See the ``--save-names-file`` option to see how you can set
    the names for these saved morphs!
 
+Polynomial Squeeze Morph
+=========================
+
+Another advanced feature in ``diffpy.morph`` is the ``MorphSqueeze`` morph,
+which applies a user-defined polynomial to squeeze the morph function along the
+x-axis. This provides a flexible way to correct for higher-order distortions
+that simple shift or stretch morphs cannot fully address.
+Such distortions can arise from geometric artifacts in X-ray detector modules,
+including tilts, curved detection planes, or angle-dependent offsets, as well
+as from intrinsic structural effects in the sample.
+
+A first-order squeeze polynomial recovers the behavior of simple shift or stretch,
+while higher-order terms enable non-linear corrections. The squeeze transformation
+is defined as:
+
+.. math::
+
+   \Delta r(r) = a_0 + a_1 r + a_2 r^2 + \dots + a_n r^n
+
+where :math:`a_0, a_1, ..., a_n` are the polynomial coefficients defined by the user.
+
+In this example, we show how to apply a squeeze morph in combination
+with a scale morph to match a morph function to its target. The required
+files can be found in ``additionalData/morphsqueeze/``.
+
+1. ``cd`` into the ``morphsqueeze`` directory::
+
+       cd additionalData/morphsqueeze
+
+   Here you will find:
+
+   - ``squeeze_morph.cgr`` — the morph function with a small built-in polynomial distortion.
+   - ``squeeze_target.cgr`` — the target function.
+
+2. Suppose we know that the morph needs a quadratic and cubic squeeze,
+   plus a scale factor to best match the target. As an initial guess,
+   we can use:
+
+   - ``squeeze = 0,-0.001,-0.0001,0.0001``
+     (for a polynomial: :math:`a_0 + a_1 x + a_2 x^2 + a_3 x^3`)
+   - ``scale = 1.1``
+
+   The squeeze polynomial is provided as a comma-separated list (no spaces)::
+
+       diffpy.morph --scale=1.1 --squeeze=0,-0.001,-0.0001,0.0001 -a squeeze_morph.cgr squeeze_target.cgr
+
+3. ``diffpy.morph`` will apply the polynomial squeeze and scale,
+   display the initial and refined coefficients, and show the final
+   difference ``Rw``.
+
+   To refine the squeeze polynomial and scale automatically, remove
+   the ``-a`` tag if you used it. For example::
+
+       diffpy.morph --scale=1.1 --squeeze=0,-0.001,-0.0001,0.0001 squeeze_morph.cgr squeeze_target.cgr
+
+4. Check the output for the final squeeze polynomial coefficients and scale.
+   They should match the true values used to generate the test data:
+
+   - ``squeeze = 0, 0.01, 0.0001, 0.001``
+   - ``scale = 0.5``
+
+   ``diffpy.morph`` refines the coefficients to minimize the residual
+   between the squeezed, scaled morph function and the target.
+
+.. warning::
+
+   **Extrapolation risk:**
+   A polynomial squeeze can shift morph data outside the target’s ``r``-range,
+   so parts of the output may be extrapolated.
+   This is generally fine if the polynomial coefficients are small and
+   the distortion is therefore small. If your coefficients are large, check the
+   plots carefully — strong extrapolation can produce unrealistic features at
+   the edges. If needed, adjust the coefficients to keep the morph physically
+   meaningful.
+
+Experiment with your own squeeze polynomials to fine-tune your morphs — even
+small higher-order corrections can make a big difference!
+
 Nanoparticle Shape Effects
 ==========================
 

news/tutorial_squeeze_funcy.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* Added tutorial for MorphSqueeze and MorphFuncy
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/morph/morphs/morphfuncy.py

@@ -30,33 +30,33 @@ class MorphFuncy(Morph):
     -------
     Import the funcy morph function:
 
-    >>> from diffpy.morph.morphs.morphfuncy import MorphFuncy
+        >>> from diffpy.morph.morphs.morphfuncy import MorphFuncy
 
     Define or import the user-supplied transformation function:
 
-    >>> def sine_function(x, y, amplitude, frequency):
-    >>>     return amplitude * np.sin(frequency * x) * y
+        >>> def sine_function(x, y, amplitude, frequency):
+        >>>     return amplitude * np.sin(frequency * x) * y
 
     Provide initial guess for parameters:
 
-    >>> parameters = {'amplitude': 2, 'frequency': 2}
+        >>> parameters = {'amplitude': 2, 'frequency': 2}
 
     Run the funcy morph given input morph array (x_morph, y_morph)and target
     array (x_target, y_target):
 
-    >>> morph = MorphFuncy()
-    >>> morph.function = sine_function
-    >>> morph.funcy = parameters
-    >>> x_morph_out, y_morph_out, x_target_out, y_target_out =
-    ... morph.morph(x_morph, y_morph, x_target, y_target)
+        >>> morph = MorphFuncy()
+        >>> morph.function = sine_function
+        >>> morph.funcy = parameters
+        >>> x_morph_out, y_morph_out, x_target_out, y_target_out =
+        ... morph.morph(x_morph, y_morph, x_target, y_target)
 
     To access parameters from the morph instance:
 
-    >>> x_morph_in = morph.x_morph_in
-    >>> y_morph_in = morph.y_morph_in
-    >>> x_target_in = morph.x_target_in
-    >>> y_target_in = morph.y_target_in
-    >>> parameters_out = morph.funcy
+        >>> x_morph_in = morph.x_morph_in
+        >>> y_morph_in = morph.y_morph_in
+        >>> x_target_in = morph.x_target_in
+        >>> y_target_in = morph.y_target_in
+        >>> parameters_out = morph.funcy
     """
 
     # Define input output types

src/diffpy/morph/morphs/morphsqueeze.py

@@ -32,27 +32,27 @@ class MorphSqueeze(Morph):
     -------
     Import the squeeze morph function:
 
-    >>> from diffpy.morph.morphs.morphsqueeze import MorphSqueeze
+        >>> from diffpy.morph.morphs.morphsqueeze import MorphSqueeze
 
     Provide initial guess for squeezing coefficients:
 
-    >>> squeeze_coeff = {"a0":0.1, "a1":-0.01, "a2":0.005}
+        >>> squeeze_coeff = {"a0":0.1, "a1":-0.01, "a2":0.005}
 
     Run the squeeze morph given input morph array (x_morph, y_morph) and target
     array (x_target, y_target):
 
-    >>> morph = MorphSqueeze()
-    >>> morph.squeeze = squeeze_coeff
-    >>> x_morph_out, y_morph_out, x_target_out, y_target_out =
-    ... morph(x_morph, y_morph, x_target, y_target)
+        >>> morph = MorphSqueeze()
+        >>> morph.squeeze = squeeze_coeff
+        >>> x_morph_out, y_morph_out, x_target_out, y_target_out =
+        ... morph(x_morph, y_morph, x_target, y_target)
 
     To access parameters from the morph instance:
 
-    >>> x_morph_in = morph.x_morph_in
-    >>> y_morph_in = morph.y_morph_in
-    >>> x_target_in = morph.x_target_in
-    >>> y_target_in = morph.y_target_in
-    >>> squeeze_coeff_out = morph.squeeze
+        >>> x_morph_in = morph.x_morph_in
+        >>> y_morph_in = morph.y_morph_in
+        >>> x_target_in = morph.x_target_in
+        >>> y_target_in = morph.y_target_in
+        >>> squeeze_coeff_out = morph.squeeze
     """
 
     # Define input output types