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deprecate: deprecate setProfile #144

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ec0d53b
deprecate setProfile
cadenmyers13 Feb 3, 2026
70a889a
news
cadenmyers13 Feb 3, 2026
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2 changes: 1 addition & 1 deletion docs/examples/coreshellnp.py
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Expand Up @@ -68,7 +68,7 @@ def makeRecipe(stru1, stru2, datname):
contribution = FitContribution("cdszns")
contribution.addProfileGenerator(generator_cds)
contribution.addProfileGenerator(generator_zns)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")

# Set up the characteristic functions. We use a spherical CF for the core
# and a spherical shell CF for the shell. Since this is set up as two
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2 changes: 1 addition & 1 deletion docs/examples/crystalpdf.py
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Expand Up @@ -75,7 +75,7 @@ def makeRecipe(ciffile, datname):
# before.
contribution = FitContribution("nickel")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")

# Make the FitRecipe and add the FitContribution.
recipe = FitRecipe()
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2 changes: 1 addition & 1 deletion docs/examples/crystalpdfall.py
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Expand Up @@ -48,7 +48,7 @@ def makeContribution(name, generator, profile):
"""Make a FitContribution and add a generator and profile."""
contribution = FitContribution(name)
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")
return contribution


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2 changes: 1 addition & 1 deletion docs/examples/crystalpdfobjcryst.py
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Expand Up @@ -63,7 +63,7 @@ def makeRecipe(ciffile, datname):
# The FitContribution
contribution = FitContribution("nickel")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")

# Make the FitRecipe and add the FitContribution.
recipe = FitRecipe()
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4 changes: 2 additions & 2 deletions docs/examples/crystalpdftwodata.py
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Expand Up @@ -85,11 +85,11 @@ def makeRecipe(ciffile, xdatname, ndatname):
# We associate the x-ray PDFGenerator and Profile in one FitContribution...
xcontribution = FitContribution("xnickel")
xcontribution.addProfileGenerator(xgenerator)
xcontribution.setProfile(xprofile, xname="r")
xcontribution.set_profile(xprofile, xname="r")
# and the neutron objects in another.
ncontribution = FitContribution("nnickel")
ncontribution.addProfileGenerator(ngenerator)
ncontribution.setProfile(nprofile, xname="r")
ncontribution.set_profile(nprofile, xname="r")

# This example is different than the previous ones in that we are composing
# a residual function from other residuals (one for the x-ray contribution
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2 changes: 1 addition & 1 deletion docs/examples/crystalpdftwophase.py
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Expand Up @@ -74,7 +74,7 @@ def makeRecipe(niciffile, siciffile, datname):
contribution = FitContribution("nisi")
contribution.addProfileGenerator(generator_ni)
contribution.addProfileGenerator(generator_si)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")

# Write the fitting equation. We want to sum the PDFs from each phase and
# multiply it by a scaling factor. We also want a certain phase scaling
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2 changes: 1 addition & 1 deletion docs/examples/debyemodel.py
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Expand Up @@ -102,7 +102,7 @@ def makeRecipe():
# independent variable (the temperature) from the data to calculate the
# theoretical signal, so give it an informative name ('T') that we can use
# later.
contribution.setProfile(profile, xname="T")
contribution.set_profile(profile, xname="T")

# We now need to create the fitting equation. We tell the FitContribution
# to use the 'debye' function defined below. The 'registerFunction' method
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2 changes: 1 addition & 1 deletion docs/examples/ellipsoidsas.py
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Expand Up @@ -58,7 +58,7 @@ def makeRecipe(datname):
# before.
contribution = FitContribution("ellipsoid")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="q")
contribution.set_profile(profile, xname="q")

# We want to fit the log of the signal to the log of the data so that the
# higher-Q information remains significant. There are no I(Q) uncertainty
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2 changes: 1 addition & 1 deletion docs/examples/gaussiangenerator.py
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Expand Up @@ -145,7 +145,7 @@ def makeRecipe():
# set the fitting equation to "g", which calls the GaussianGenerator.
contribution = FitContribution("g1")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile)
contribution.set_profile(profile)

# The FitRecipe
# Now we create the FitRecipe and add the FitContribution.
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2 changes: 1 addition & 1 deletion docs/examples/gaussianrecipe.py
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Expand Up @@ -114,7 +114,7 @@ def makeRecipe():
# us access to the data held within the Profile. Here, we can tell it what
# name we want to use for the independent variable. We tell it to use the
# name "x".
contribution.setProfile(profile, xname="x")
contribution.set_profile(profile, xname="x")

# Now we need to create a fitting equation. We do that by writing out the
# equation as a string. The FitContribution will turn this into a callable
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2 changes: 1 addition & 1 deletion docs/examples/interface.py
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Expand Up @@ -37,7 +37,7 @@ def main():
# FitContribution operations
# "<<" - Inject a parameter value
c = FitContribution("g1")
c.setProfile(p)
c.set_profile(p)
c.setEquation("A * exp(-0.5*(x-x0)**2/sigma**2)")
c.A << 0.5
c.x0 << 5
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2 changes: 1 addition & 1 deletion docs/examples/npintensity.py
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Expand Up @@ -204,7 +204,7 @@ def makeRecipe(strufile, datname):
# use it in equations with this name.
contribution = FitContribution("bucky")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="q")
contribution.set_profile(profile, xname="q")

# Now we're ready to define the fitting equation for the FitContribution.
# We need to modify the intensity calculation, and we'll do that from
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4 changes: 2 additions & 2 deletions docs/examples/npintensityII.py
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Expand Up @@ -89,10 +89,10 @@ def makeRecipe(strufile, datname1, datname2):
# Create the FitContributions.
contribution1 = FitContribution("bucky1")
contribution1.addProfileGenerator(generator1)
contribution1.setProfile(profile1, xname="q")
contribution1.set_profile(profile1, xname="q")
contribution2 = FitContribution("bucky2")
contribution2.addProfileGenerator(generator2)
contribution2.setProfile(profile2, xname="q")
contribution2.set_profile(profile2, xname="q")

# Now we're ready to define the fitting equation for each FitContribution.
# The functions registered below will be independent, even though they take
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2 changes: 1 addition & 1 deletion docs/examples/nppdfcrystal.py
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Expand Up @@ -48,7 +48,7 @@ def makeRecipe(ciffile, grdata):
pdfprofile.setCalculationRange(xmin=0.1, xmax=20)

pdfcontribution = FitContribution("pdf")
pdfcontribution.setProfile(pdfprofile, xname="r")
pdfcontribution.set_profile(pdfprofile, xname="r")

pdfgenerator = PDFGenerator("G")
pdfgenerator.setQmax(30.0)
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2 changes: 1 addition & 1 deletion docs/examples/nppdfobjcryst.py
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Expand Up @@ -53,7 +53,7 @@ def makeRecipe(molecule, datname):
# The FitContribution
contribution = FitContribution("bucky")
contribution.addProfileGenerator(generator)
contribution.setProfile(profile, xname="r")
contribution.set_profile(profile, xname="r")

# Make a FitRecipe.
recipe = FitRecipe()
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4 changes: 2 additions & 2 deletions docs/examples/nppdfsas.py
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Expand Up @@ -52,7 +52,7 @@ def makeRecipe(ciffile, grdata, iqdata):
pdfprofile.setCalculationRange(xmin=0.1, xmax=20)

pdfcontribution = FitContribution("pdf")
pdfcontribution.setProfile(pdfprofile, xname="r")
pdfcontribution.set_profile(pdfprofile, xname="r")

pdfgenerator = PDFGenerator("G")
pdfgenerator.setQmax(30.0)
Expand All @@ -71,7 +71,7 @@ def makeRecipe(ciffile, grdata, iqdata):
sasprofile.dy[:] = 1

sascontribution = FitContribution("sas")
sascontribution.setProfile(sasprofile)
sascontribution.set_profile(sasprofile)

from sas.models.EllipsoidModel import EllipsoidModel

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2 changes: 1 addition & 1 deletion docs/examples/threedoublepeaks.py
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Expand Up @@ -50,7 +50,7 @@ def makeRecipe():

# Create the contribution
contribution = FitContribution("peaks")
contribution.setProfile(profile, xname="t")
contribution.set_profile(profile, xname="t")
pi = numpy.pi
exp = numpy.exp

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23 changes: 23 additions & 0 deletions news/dep-setprofile.rst
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@@ -0,0 +1,23 @@
**Added:**

* <news item>

**Changed:**

* <news item>

**Deprecated:**

* Deprecate ``setProfile`` for removal in version 4.0.0.

**Removed:**

* <news item>

**Fixed:**

* <news item>

**Security:**

* <news item>
28 changes: 25 additions & 3 deletions src/diffpy/srfit/fitbase/fitcontribution.py
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Expand Up @@ -29,6 +29,17 @@
from diffpy.srfit.fitbase.parameterset import ParameterSet
from diffpy.srfit.fitbase.profile import Profile
from diffpy.srfit.fitbase.recipeorganizer import equationFromString
from diffpy.utils._deprecator import deprecated, deprecation_message

base = "diffpy.srfit.fitbase.FitContribution"
removal_version = "4.0.0"

setprofile_dep_msg = deprecation_message(
base,
"setProfile",
"set_profile",
removal_version,
)


class FitContribution(ParameterSet):
Expand Down Expand Up @@ -97,7 +108,7 @@ def __init__(self, name):
self._manage(self._generators)
return

def setProfile(self, profile, xname=None, yname=None, dyname=None):
def set_profile(self, profile, xname=None, yname=None, dyname=None):
"""Assign the Profile for this FitContribution.

Attributes
Expand Down Expand Up @@ -149,14 +160,25 @@ def setProfile(self, profile, xname=None, yname=None, dyname=None):

# If we have ProfileGenerators, set their Profiles.
for gen in self._generators.values():
gen.setProfile(profile)
gen.set_profile(profile)

# If we have _eq, but not _reseq, set the residual
if self._eq is not None and self._reseq is None:
self.setResidualEquation("chiv")

return

@deprecated(setprofile_dep_msg)
def setProfile(self, profile, xname=None, yname=None, dyname=None):
"""This function has been deprecated and will be removed in version
4.0.0.

Please use diffpy.srfit.fitbase.FitContribution.set_profile instead.
"""
return self.set_profile(
profile, xname=xname, yname=yname, dyname=dyname
)

def addProfileGenerator(self, gen, name=None):
"""Add a ProfileGenerator to be used by this FitContribution.

Expand Down Expand Up @@ -192,7 +214,7 @@ def addProfileGenerator(self, gen, name=None):

# If we have a profile, set the profile of the generator.
if self.profile is not None:
gen.setProfile(self.profile)
gen.set_profile(self.profile)

# Make this our equation if we don't have one. This will set the
# residual equation if necessary.
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2 changes: 1 addition & 1 deletion src/diffpy/srfit/fitbase/profilegenerator.py
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Expand Up @@ -153,7 +153,7 @@ def operation(self):
y = self.__call__(self.profile.x)
return y

def setProfile(self, profile):
def set_profile(self, profile):
"""Assign the profile.

Attributes
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2 changes: 1 addition & 1 deletion src/diffpy/srfit/fitbase/simplerecipe.py
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Expand Up @@ -93,7 +93,7 @@ def __init__(self, name="fit", conclass=FitContribution):
self.fithooks[0].verbose = 3
contribution = conclass("contribution")
self.profile = Profile()
contribution.setProfile(self.profile)
contribution.set_profile(self.profile)
self.addContribution(contribution)
self.results = FitResults(self, update=False)

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2 changes: 1 addition & 1 deletion src/diffpy/srfit/pdf/pdfcontribution.py
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Expand Up @@ -93,7 +93,7 @@ def __init__(self, name):
self._meta = {}
# Add the profile
profile = Profile()
self.setProfile(profile, xname="r")
self.set_profile(profile, xname="r")

# Need a parameter for the overall scale, in the case that this is a
# multi-phase fit.
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6 changes: 3 additions & 3 deletions tests/conftest.py
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Expand Up @@ -154,7 +154,7 @@ def build_recipe_one_contribution():
y = sin(x)
profile.setObservedProfile(x, y)
contribution = FitContribution("c1")
contribution.setProfile(profile)
contribution.set_profile(profile)
contribution.setEquation("A*sin(k*x + c)")
recipe = FitRecipe()
recipe.addContribution(contribution)
Expand All @@ -172,14 +172,14 @@ def build_recipe_two_contributions():
y1 = sin(x)
profile1.setObservedProfile(x, y1)
contribution1 = FitContribution("c1")
contribution1.setProfile(profile1)
contribution1.set_profile(profile1)
contribution1.setEquation("A*sin(k*x + c)")

profile2 = Profile()
y2 = 0.5 * sin(2 * x)
profile2.setObservedProfile(x, y2)
contribution2 = FitContribution("c2")
contribution2.setProfile(profile2)
contribution2.set_profile(profile2)
contribution2.setEquation("B*sin(m*x + d)")
recipe = FitRecipe()
recipe.addContribution(contribution1)
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20 changes: 10 additions & 10 deletions tests/test_contribution.py
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Expand Up @@ -34,10 +34,10 @@ def setUp(self):
self.fitcontribution = FitContribution("test")
return

def testSetProfile(self):
def testset_profile(self):
fc = self.fitcontribution
profile = self.profile
fc.setProfile(self.profile)
fc.set_profile(self.profile)
# verify standard profile setup
self.assertTrue(fc.profile is profile)
self.assertTrue(fc.x.par is profile.xpar)
Expand All @@ -51,7 +51,7 @@ def testSetProfile(self):
# check if residual equation is set up when possible
fc2 = FitContribution("test2")
fc2.setEquation("A * x")
fc2.setProfile(profile)
fc2.set_profile(profile)
self.assertFalse(fc2._reseq is None)
return

Expand All @@ -74,7 +74,7 @@ def testInteraction(self):
gen = self.gen

# Add the calculator and profile
fc.setProfile(profile)
fc.set_profile(profile)
fc.addProfileGenerator(gen, "I")

# Check attributes are created
Expand Down Expand Up @@ -119,7 +119,7 @@ def testReplacements(self):
gen = self.gen

# Validate equations
fc.setProfile(profile)
fc.set_profile(profile)
fc.addProfileGenerator(gen, "I")
self.assertTrue(array_equal(gen.value, xobs))
self.assertTrue(array_equal(fc._eq(), xobs))
Expand All @@ -129,7 +129,7 @@ def testReplacements(self):
reseq = fc._reseq

# Now set a different profile
fc.setProfile(profile2)
fc.set_profile(profile2)
self.assertTrue(fc.profile is profile2)
self.assertTrue(gen.profile is profile2)
self.assertTrue(fc._eq is eq)
Expand All @@ -147,7 +147,7 @@ def test_getResidualEquation(self):
"""Check getting the current formula for residual equation."""
fc = self.fitcontribution
self.assertEqual("", fc.getResidualEquation())
fc.setProfile(self.profile)
fc.set_profile(self.profile)
fc.setEquation("A * x + B")
self.assertEqual("((eq - y) / dy)", fc.getResidualEquation())
fc.setResidualEquation("2 * (eq - y)")
Expand All @@ -161,7 +161,7 @@ def test_releaseOldEquations(self):
for i in range(5):
fc.setEquation("A * x + B")
self.assertEqual(1, len(fc._eqfactory.equations))
fc.setProfile(self.profile)
fc.set_profile(self.profile)
for i in range(5):
fc.setResidualEquation("chiv")
self.assertEqual(2, len(fc._eqfactory.equations))
Expand Down Expand Up @@ -194,7 +194,7 @@ def testResidual(noObserversInGlobalBuilders):
fc = FitContribution("test")

# Add the calculator and profile
fc.setProfile(profile)
fc.set_profile(profile)
assert fc.profile is profile
fc.addProfileGenerator(gen, "I")
assert fc._eq._value is None
Expand Down Expand Up @@ -261,7 +261,7 @@ def testResidual(noObserversInGlobalBuilders):
fc1 = FitContribution("test1")
with pytest.raises(SrFitError):
fc1.setResidualEquation("chiv")
fc1.setProfile(profile)
fc1.set_profile(profile)
with pytest.raises(SrFitError):
fc1.setResidualEquation("chiv")
fc1.setEquation("A * x")
Expand Down
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