newVar deprecation

cadenmyers13 · cadenmyers13 · commit 474afb455317 · 2026-02-20T13:49:01.000-05:00
diff --git a/docs/examples/coreshellnp.py b/docs/examples/coreshellnp.py
@@ -96,7 +96,7 @@ def makeRecipe(stru1, stru2, datname):
     # Configure the fit variables
     # Start by configuring the scale factor and resolution factors.
     # We want the sum of the phase scale factors to be 1.
-    recipe.newVar("scale_CdS", 0.7)
+    recipe.create_new_variable("scale_CdS", 0.7)
     recipe.constrain(generator_cds.scale, "scale_CdS")
     recipe.constrain(generator_zns.scale, "1 - scale_CdS")
     # We also want the resolution factor to be the same on each.
diff --git a/docs/examples/crystalpdfall.py b/docs/examples/crystalpdfall.py
@@ -112,14 +112,14 @@ def makeRecipe(
     # Now we vary and constrain Parameters as before.
     for par in phase_ni.sgpars:
         recipe.add_variable(par, name=par.name + "_ni")
-    delta2_ni = recipe.newVar("delta2_ni", 2.5)
+    delta2_ni = recipe.create_new_variable("delta2_ni", 2.5)
     recipe.constrain(xgenerator_ni.delta2, delta2_ni)
     recipe.constrain(ngenerator_ni.delta2, delta2_ni)
     recipe.constrain(xgenerator_sini_ni.delta2, delta2_ni)
 
     for par in phase_si.sgpars:
         recipe.add_variable(par, name=par.name + "_si")
-    delta2_si = recipe.newVar("delta2_si", 2.5)
+    delta2_si = recipe.create_new_variable("delta2_si", 2.5)
     recipe.constrain(xgenerator_si.delta2, delta2_si)
     recipe.constrain(xgenerator_sini_si.delta2, delta2_si)
 
@@ -128,7 +128,7 @@ def makeRecipe(
     recipe.add_variable(xgenerator_si.scale, name="xscale_si")
     recipe.add_variable(ngenerator_ni.scale, name="nscale_ni")
     recipe.add_variable(xcontribution_sini.scale, 1.0, "xscale_sini")
-    recipe.newVar("pscale_sini_ni", 0.8)
+    recipe.create_new_variable("pscale_sini_ni", 0.8)
     recipe.constrain(xgenerator_sini_ni.scale, "pscale_sini_ni")
     recipe.constrain(xgenerator_sini_si.scale, "1 - pscale_sini_ni")
 
diff --git a/docs/examples/crystalpdftwodata.py b/docs/examples/crystalpdftwodata.py
@@ -120,7 +120,7 @@ def makeRecipe(ciffile, xdatname, ndatname):
     recipe.add_variable(ngenerator.qdamp, 0.01, "nqdamp")
     # delta2 is a non-structual material property. Thus, we constrain together
     # delta2 Parameter from each PDFGenerator.
-    delta2 = recipe.newVar("delta2", 2)
+    delta2 = recipe.create_new_variable("delta2", 2)
     recipe.constrain(xgenerator.delta2, delta2)
     recipe.constrain(ngenerator.delta2, delta2)
 
diff --git a/docs/examples/crystalpdftwophase.py b/docs/examples/crystalpdftwophase.py
@@ -89,11 +89,11 @@ def makeRecipe(niciffile, siciffile, datname):
     # Configure the fit variables
     # Start by configuring the scale factor and resolution factors.
     # We want the sum of the phase scale factors to be 1.
-    recipe.newVar("scale_ni", 0.1)
+    recipe.create_new_variable("scale_ni", 0.1)
     recipe.constrain(generator_ni.scale, "scale_ni")
     recipe.constrain(generator_si.scale, "1 - scale_ni")
     # We also want the resolution factor to be the same on each.
-    recipe.newVar("qdamp", 0.03)
+    recipe.create_new_variable("qdamp", 0.03)
     recipe.constrain(generator_ni.qdamp, "qdamp")
     recipe.constrain(generator_si.qdamp, "qdamp")
 
diff --git a/docs/examples/debyemodelII.py b/docs/examples/debyemodelII.py
@@ -87,7 +87,7 @@ def makeRecipeII():
     recipe.add_variable(recipe.highT.offset, name="highToffset")
     # We create a new Variable and use the recipe's "constrain" method to
     # associate the Debye temperature parameters with that variable.
-    recipe.newVar("thetaD", 100)
+    recipe.create_new_variable("thetaD", 100)
     recipe.constrain(recipe.lowT.thetaD, "thetaD")
     recipe.constrain(recipe.highT.thetaD, "thetaD")
     return recipe
diff --git a/docs/examples/npintensity.py b/docs/examples/npintensity.py
@@ -296,7 +296,7 @@ def gaussian(q, q0, width):
     # Variable that we call "Uiso" and constrain the atomic Uiso values to
     # this. Note that we don't give Uiso an initial value. The initial value
     # will be inferred from the following constraints.
-    Uiso = recipe.newVar("Uiso")
+    Uiso = recipe.create_new_variable("Uiso")
     for atom in phase.getScatterers():
         recipe.constrain(atom.Uiso, Uiso)
 
diff --git a/docs/examples/npintensityII.py b/docs/examples/npintensityII.py
@@ -178,7 +178,7 @@ def gaussian(q, q0, width):
     # variable that we call "Uiso" and constrain the atomic Uiso values to
     # this. Note that we don't give Uiso an initial value. The initial value
     # will be inferred from the subsequent constraints.
-    Uiso = recipe.newVar("Uiso")
+    Uiso = recipe.create_new_variable("Uiso")
     for atom in phase.getScatterers():
         recipe.constrain(atom.Uiso, Uiso)
 
diff --git a/docs/examples/nppdfobjcryst.py b/docs/examples/nppdfobjcryst.py
@@ -66,7 +66,7 @@ def makeRecipe(molecule, datname):
     c60 = generator.phase
 
     # First, the isotropic thermal displacement factor.
-    Biso = recipe.newVar("Biso")
+    Biso = recipe.create_new_variable("Biso")
     for atom in c60.getScatterers():
 
         # We have defined a 'center' atom that is a dummy, which means that it
@@ -88,7 +88,7 @@ def makeRecipe(molecule, datname):
     # that we don't give it an initial value. Since the variable is being
     # directly constrained to further below, its initial value will be inferred
     # from the constraint.
-    radius = recipe.newVar("radius")
+    radius = recipe.create_new_variable("radius")
     for i, atom in enumerate(c60.getScatterers()):
 
         if atom.isDummy():
diff --git a/docs/examples/simplepdftwophase.py b/docs/examples/simplepdftwophase.py
@@ -46,7 +46,7 @@ def makeRecipe(niciffile, siciffile, datname):
     # Configure the fit variables
     # Start by configuring the scale factor and resolution factors.
     # We want the sum of the phase scale factors to be 1.
-    recipe.newVar("scale_ni", 0.1)
+    recipe.create_new_variable("scale_ni", 0.1)
     recipe.constrain(contribution.ni.scale, "scale_ni")
     recipe.constrain(contribution.si.scale, "1 - scale_ni")
     # We also want the resolution factor to be the same on each. This is done
diff --git a/docs/examples/threedoublepeaks.py b/docs/examples/threedoublepeaks.py
@@ -126,8 +126,8 @@ def peakloc(mu):
 
     # Vary the width of the peaks. We know the functional form of the peak
     # broadening.
-    recipe.newVar("sig0", 0.001)
-    recipe.newVar("dsig", 4)
+    recipe.create_new_variable("sig0", 0.001)
+    recipe.create_new_variable("dsig", 4)
 
     def sig(sig0, dsig, mu):
         """Calculate the peak broadening with respect to position."""
diff --git a/src/diffpy/srfit/fitbase/fitrecipe.py b/src/diffpy/srfit/fitbase/fitrecipe.py
@@ -95,6 +95,10 @@
     base, "delVar", "delete_variable", removal_version
 )
 
+newVar_dep_msg = build_deprecation_message(
+    base, "newVar", "create_new_variable", removal_version
+)
+
 
 class FitRecipe(_fitrecipe_interface, RecipeOrganizer):
     """FitRecipe class.
@@ -752,7 +756,9 @@ def __delattr__(self, name):
         super(FitRecipe, self).__delattr__(name)
         return
 
-    def newVar(self, name, value=None, fixed=False, tag=None, tags=[]):
+    def create_new_variable(
+        self, name, value=None, fixed=False, tag=None, tags=[]
+    ):
         """Create a new variable of the fit.
 
         This method lets new variables be created that are not tied to a
@@ -786,18 +792,25 @@ def newVar(self, name, value=None, fixed=False, tag=None, tags=[]):
         """
         # This will fix the Parameter
         var = self._new_parameter(name, value)
-
         # We may explicitly free it
         if not fixed:
             self.free(var)
-
         # Tag with passed tags
         self._tagmanager.tag(var, *tags)
         if tag is not None:
             self._tagmanager.tag(var, tag)
 
         return var
 
+    @deprecated(newVar_dep_msg)
+    def newVar(self, name, value=None, fixed=False, tag=None, tags=[]):
+        """This function has been deprecated and will be removed in version
+        4.0.0.
+
+        Please use diffpy.srfit.fitbase.FitRecipe.create_new_variable instead.
+        """
+        return self.create_new_variable(name, value, fixed, tag, tags)
+
     def _new_parameter(self, name, value, check=True):
         """Overloaded to tag variables.
 
diff --git a/src/diffpy/srfit/interface/interface.py b/src/diffpy/srfit/interface/interface.py
@@ -119,18 +119,18 @@ def __ior__(self, args):
         return self
 
     def __iadd__(self, args):
-        """AddVar or newVar with +=
+        """add_variable or create_new_variable with +=
 
         Think of "+" as addition of a variable.
 
         This accepts a single argument or an iterable of single
         arguments or argument tuples.
         """
 
-        # Want to detect add_variable or newVar
+        # Want to detect add_variable or create_new_variable
         def f(*args):
             if isinstance(args[0], six.string_types):
-                self.newVar(*args)
+                self.create_new_variable(*args)
             else:
                 self.add_variable(*args)
             return
diff --git a/tests/test_fitrecipe.py b/tests/test_fitrecipe.py
@@ -61,7 +61,7 @@ def testFixFree(self):
         recipe.add_variable(con.A, 2, tag="tagA")
         recipe.add_variable(con.k, 1, tag="tagk")
         recipe.add_variable(con.c, 0)
-        recipe.newVar("B", 0)
+        recipe.create_new_variable("B", 0)
 
         self.assertTrue(recipe.isFree(recipe.A))
         recipe.fix("tagA")
@@ -108,7 +108,7 @@ def test_variables(self):
         recipe.add_variable(con.A, 2)
         recipe.add_variable(con.k, 1)
         recipe.add_variable(con.c, 0)
-        recipe.newVar("B", 0)
+        recipe.create_new_variable("B", 0)
 
         names = recipe.getNames()
         self.assertEqual(names, ["A", "k", "c", "B"])
@@ -212,7 +212,7 @@ def testResidual(self):
 
         # Try some constraints
         # Make c = 2*A, A = Avar
-        var = self.recipe.newVar("Avar")
+        var = self.recipe.create_new_variable("Avar")
         self.recipe.constrain(
             self.fitcontribution.c, "2*A", {"A": self.fitcontribution.A}
         )
diff --git a/tests/test_fitresults.py b/tests/test_fitresults.py
@@ -24,9 +24,9 @@
 
 def testInitializeFromFileName(datafile):
     recipe = FitRecipe("recipe")
-    recipe.newVar("A", 0)
-    recipe.newVar("sig", 0)
-    recipe.newVar("x0", 0)
+    recipe.create_new_variable("A", 0)
+    recipe.create_new_variable("sig", 0)
+    recipe.create_new_variable("x0", 0)
     filename = datafile("results.res")
     Aval = 5.77619823e-01
     sigval = -9.22758690e-01
@@ -44,9 +44,9 @@ def testInitializeFromFileName(datafile):
 
 def testInitializeFromFileObj(datafile):
     recipe = FitRecipe("recipe")
-    recipe.newVar("A", 0)
-    recipe.newVar("sig", 0)
-    recipe.newVar("x0", 0)
+    recipe.create_new_variable("A", 0)
+    recipe.create_new_variable("sig", 0)
+    recipe.create_new_variable("x0", 0)
     filename = datafile("results.res")
     Aval = 5.77619823e-01
     sigval = -9.22758690e-01
@@ -67,9 +67,9 @@ def testInitializeFromFileObj(datafile):
 
 def testInitializeFromString(datafile):
     recipe = FitRecipe("recipe")
-    recipe.newVar("A", 0)
-    recipe.newVar("sig", 0)
-    recipe.newVar("x0", 0)
+    recipe.create_new_variable("A", 0)
+    recipe.create_new_variable("sig", 0)
+    recipe.create_new_variable("x0", 0)
     filename = datafile("results.res")
     Aval = 5.77619823e-01
     sigval = -9.22758690e-01
