Handle IO for (CLI) morph inputs in a function

news/morph_inputs.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* All morph inputs are now outputted for multiple morphs/targets.
+
+**Security:**
+
+* <news item>

src/diffpy/morph/morph_io.py

@@ -34,6 +34,96 @@ def custom_formatwarning(msg, *args, **kwargs):
 warnings.formatwarning = custom_formatwarning
 
 
+def build_morph_inputs_container(
+    scale,
+    stretch,
+    smear_pdf,
+    smear,
+    hshift,
+    vshift,
+    squeeze,
+):
+    """Helper function to extract input morphing parameters for CLI
+    morphs. Python morphs are handled separately.
+
+    Parameters
+    ----------
+    scale
+        opts.scale
+    stretch
+        opts.stretch
+    smear_pdf
+        opts.smear_pdf
+    smear
+        opts.smear
+    hshift
+        opts.hshift
+    vshift
+        opts.vshift
+    squeeze
+        opts.squeeze
+
+    Returns
+    -------
+    dict
+        The dictionary of input morphing parameters.
+        Only one of smear and smear_pdf is included
+        (takes smear_pdf over smear when both exist).
+        Does not include hshift if a degree zero
+        or above squeeze is used.
+        Does not include stretch if a degree one
+        or above squeeze is used.
+    """
+    squeeze_poly_deg = -1
+    squeeze_in = None
+    if squeeze is not None:
+        squeeze_in = {}
+        # handle list/tuple input
+        if len(squeeze) > 1 and squeeze[0] == "[" and squeeze[-1] == "]":
+            squeeze = squeeze[1:-1]
+        elif len(squeeze) > 1 and squeeze[0] == "(" and squeeze[-1] == ")":
+            squeeze = squeeze[1:-1]
+        squeeze_coeffs = squeeze.strip().split(",")
+        idx = 0
+        for _, coeff in enumerate(squeeze_coeffs):
+            if coeff.strip() != "":
+                try:
+                    squeeze_in.update({f"a{idx}": float(coeff)})
+                    idx += 1
+                except ValueError:
+                    # user has already been warned
+                    pass
+        squeeze_poly_deg = len(squeeze_in.keys())
+
+    scale_in = scale
+    if squeeze_poly_deg < 1:
+        stretch_in = stretch
+    else:
+        stretch_in = None
+    if smear_pdf is None:
+        smear_in = smear
+    else:
+        smear_in = smear_pdf
+    morph_inputs = {
+        "scale": scale_in,
+        "stretch": stretch_in,
+        "smear": smear_in,
+    }
+
+    if squeeze_poly_deg < 0:
+        hshift_in = hshift
+    else:
+        hshift_in = None
+    vshift_in = vshift
+    morph_inputs.update({"hshift": hshift_in, "vshift": vshift_in})
+
+    if squeeze_in is not None:
+        for idx, _ in enumerate(squeeze_in):
+            morph_inputs.update({f"squeeze a{idx}": squeeze_in[f"a{idx}"]})
+
+    return morph_inputs
+
+
 def single_morph_output(
     morph_inputs,
     morph_results,

src/diffpy/morph/morphapp.py

@@ -725,17 +725,16 @@ def single_morph(
     # if you think there requires special handling
 
     # Input morph parameters
-    morph_inputs = {
-        "scale": scale_in,
-        "stretch": stretch_in,
-        "smear": smear_in,
-    }
-    morph_inputs.update({"hshift": hshift_in, "vshift": vshift_in})
-    # More complex input morph parameters are only displayed conditionally
-    if opts.squeeze is not None:
-        squeeze_dict = squeeze_dict_in.copy()
-        for idx, _ in enumerate(squeeze_dict):
-            morph_inputs.update({f"squeeze a{idx}": squeeze_dict[f"a{idx}"]})
+    morph_inputs = io.build_morph_inputs_container(
+        opts.scale,
+        opts.stretch,
+        opts.smear_pdf,
+        opts.smear,
+        opts.hshift,
+        opts.vshift,
+        opts.squeeze,
+    )
+    # Special python morph inputs (for single morph only)
     if pymorphs is not None:
         if "funcxy" in pymorphs:
             for funcxy_param in pymorphs["funcxy"][1].keys():
@@ -953,12 +952,15 @@ def multiple_targets(parser, opts, pargs, stdout_flag=True, python_wrap=False):
     for key in morph_results.keys():
         target_file_names.append(key)
 
-    morph_inputs = {
-        "scale": opts.scale,
-        "stretch": opts.stretch,
-        "smear": opts.smear_pdf,
-    }
-    morph_inputs.update({"hshift": opts.hshift, "vshift": opts.vshift})
+    morph_inputs = io.build_morph_inputs_container(
+        opts.scale,
+        opts.stretch,
+        opts.smear_pdf,
+        opts.smear,
+        opts.hshift,
+        opts.vshift,
+        opts.squeeze,
+    )
 
     try:
         # Print summary of morphs to terminal and to file (if requested)
@@ -1136,12 +1138,15 @@ def multiple_morphs(parser, opts, pargs, stdout_flag=True, python_wrap=False):
     for key in morph_results.keys():
         morph_file_names.append(key)
 
-    morph_inputs = {
-        "scale": opts.scale,
-        "stretch": opts.stretch,
-        "smear": opts.smear_pdf,
-    }
-    morph_inputs.update({"hshift": opts.hshift, "vshift": opts.vshift})
+    morph_inputs = io.build_morph_inputs_container(
+        opts.scale,
+        opts.stretch,
+        opts.smear_pdf,
+        opts.smear,
+        opts.hshift,
+        opts.vshift,
+        opts.squeeze,
+    )
 
     try:
         # Print summary of morphs to terminal and to file (if requested)