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revise tests
  • Loading branch information
SYMSCAE committed Aug 11, 2026
commit d8b0fdce5cff9dadb4b7f0a8da695b67c4ee6441
50 changes: 0 additions & 50 deletions tests/test_deprecations.py

This file was deleted.

93 changes: 69 additions & 24 deletions tests/test_pdffit.py
Original file line number Diff line number Diff line change
Expand Up @@ -234,10 +234,19 @@ def test_setvar(self):
# """
# return
#
# def test_get_r(self):
# """check PdfFit.get_r()
# """
# return
def test_getR(self):
"""Check deprecated PdfFit.getR()."""
self.test_get_r()

def test_get_r(self):
"""Check PdfFit.get_r()."""
self.P.alloc("X", 25, 0.0, 0.1, 1.0, 10)
r = self.P.get_r()
self.assertEqual(10, len(r))
for i, ri in enumerate(r, start=1):
self.assertAlmostEqual(0.1 * i, ri, self.places)
return

#
# def test_getpdf_fit(self):
# """check PdfFit.getpdf_fit()
Expand Down Expand Up @@ -472,26 +481,62 @@ def doalloc():
self.assertRaises(pdffit2.unassignedError, self.P.pdesel, -100)
return

#
# def test_select_atom_type(self):
# """check PdfFit.select_atom_type()
# """
# return
#
# def test_select_atom_index(self):
# """check PdfFit.select_atom_index()
# """
# return
#
# def test_select_all(self):
# """check PdfFit.select_all()
# """
# return
#
# def test_select_none(self):
# """check PdfFit.select_none()
# """
# return
def _calculate_ni_pdf(self):
self.P.read_struct(self.datafile("Ni.stru"))
self.P.alloc("X", 25.0, 0.0, 0.1, 10.0, 100)
self.P.calc()
return self.P.getpdf_fit()

def test_selectAtomType(self):
"""Check deprecated PdfFit.selectAtomType()."""
self.test_select_atom_type()

def test_select_atom_type(self):
"""Check PdfFit.select_atom_type()."""
pdf = self._calculate_ni_pdf()
self.P.select_atom_type(1, "i", "Ni", False)
self.P.calc()
self.assertEqual([0.0] * len(pdf), self.P.getpdf_fit())
return

def test_selectAtomIndex(self):
"""Check deprecated PdfFit.selectAtomIndex()."""
self.test_select_atom_index()

def test_select_atom_index(self):
"""Check PdfFit.select_atom_index()."""
pdf = self._calculate_ni_pdf()
self.P.select_atom_index(1, "i", 1, False)
self.P.calc()
selected_pdf = self.P.getpdf_fit()
self.assertNotEqual(pdf, selected_pdf)
self.assertNotEqual([0.0] * len(pdf), selected_pdf)
return

def test_selectAll(self):
"""Check deprecated PdfFit.selectAll()."""
self.test_select_all()

def test_select_all(self):
"""Check PdfFit.select_all()."""
pdf = self._calculate_ni_pdf()
self.P.select_none(1, "i")
self.P.select_all(1, "i")
self.P.calc()
self.assertEqual(pdf, self.P.getpdf_fit())
return

def test_selectNone(self):
"""Check deprecated PdfFit.selectNone()."""
self.test_select_none()

def test_select_none(self):
"""Check PdfFit.select_none()."""
pdf = self._calculate_ni_pdf()
self.P.select_none(1, "i")
self.P.calc()
self.assertEqual([0.0] * len(pdf), self.P.getpdf_fit())
return

def test_bond_angle(self):
"""Check PdfFit.bond_angle()"""
Expand Down
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