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Rename PDF-specific smear option to --smear-pdf #220

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Merged
sbillinge merged 5 commits into from
Jun 24, 2025
Merged

Rename PDF-specific smear option to --smear-pdf #220

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215c5e5
Refactor smear to smear-pdf
Sparks29032 Jun 23, 2025
2d4ada8
Reformat help headers
Sparks29032 Jun 23, 2025
a5301bf
Move tests to test_morphapp
Sparks29032 Jun 23, 2025
60d381a
News
Sparks29032 Jun 23, 2025
69d45ee
Merge branch 'main' into smear-update
Sparks29032 Jun 24, 2025
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Reformat help headers
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@Sparks29032
Sparks29032 committed Jun 23, 2025
commit 2d4ada8552e7712179f03a17f9c39cb9c724021d
21 changes: 14 additions & 7 deletions src/diffpy/morph/morphapp.py
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Original file line number Diff line number Diff line change
Expand Up @@ -167,18 +167,25 @@ def custom_error(self, msg):
"--smear",
type="float",
metavar="SMEAR",
help="""Smear the peaks with a Guassian of width SMEAR.
This is done by convolving the function with a Gaussian with standard
deviation SMEAR. If both --smear and --smear-pdf are enabled, only
--smear-pdf will be applied.""",
help=(
"Smear the peaks with a Gaussian of width SMEAR. "
"This is done by convolving the function with a "
"Gaussian with standard deviation SMEAR. "
"If both --smear and --smear-pdf are enabled, "
"only --smear-pdf will be applied."
),
)
group.add_option(
"--smear-pdf",
type="float",
metavar="SMEAR",
help="""Convert PDF to RDF. Then, smear peaks with a Gaussian of
width SMEAR. Convert back to PDF. If both --smear and --smear-pdf are
enabled, only --smear-pdf will be applied.""",
help=(
"Convert PDF to RDF. "
"Then, smear peaks with a Gaussian of width SMEAR. "
"Convert back to PDF. "
"If both --smear and --smear-pdf are enabled, "
"only --smear-pdf will be applied."
),
)
group.add_option(
"--slope",
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3 changes: 3 additions & 0 deletions tests/test_morphio.py
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Original file line number Diff line number Diff line change
Expand Up @@ -137,3 +137,6 @@ def ignore_path(line):
generated = filter(ignore_path, gf)
tf)
assert all(x == y for x, y in zip(generated, target))

def test_morphsmear(self, setup, tmp_path):
pass