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c086cb2
checkpoint
cadenmyers13 Dec 22, 2025
21103cc
new app interface
cadenmyers13 Dec 24, 2025
c5eeedb
app update + docstring
cadenmyers13 Dec 24, 2025
19096e6
checkpoint commit
cadenmyers13 Dec 27, 2025
94c5d75
add zscan data
cadenmyers13 Dec 27, 2025
375e56c
news
cadenmyers13 Dec 27, 2025
ba91371
remove whitespace
cadenmyers13 Dec 27, 2025
2702d74
add resolve_wavelength test
cadenmyers13 Dec 27, 2025
57fc8e1
move sources to top
cadenmyers13 Dec 27, 2025
ef0481d
checkpoint cli
cadenmyers13 Dec 28, 2025
916aa95
run_mud test
cadenmyers13 Dec 28, 2025
7767b28
tests for run_sample and run_zscan and conftest fixtures
cadenmyers13 Dec 28, 2025
2e2c3f2
update to new cli
cadenmyers13 Dec 28, 2025
986db00
add shutils to tests.txt
cadenmyers13 Dec 28, 2025
b6878a0
refactor test_tools since get_args function has been removed. replace…
cadenmyers13 Dec 29, 2025
3f0adf6
minor aesthetic changes and pre-commit
cadenmyers13 Dec 29, 2025
b2ac93d
checkpoint
cadenmyers13 Dec 29, 2025
bdd6cf9
add authors
cadenmyers13 Jan 6, 2026
460160b
checkpoint
cadenmyers13 Jan 21, 2026
3027d03
checkpoint
cadenmyers13 Jan 22, 2026
eabd330
rm file
cadenmyers13 Jan 22, 2026
66ae9e4
merge
cadenmyers13 Jan 22, 2026
32a77fa
restore test_tools to main branch
cadenmyers13 Jan 22, 2026
e5a47c8
checkpoint, all tests are passing here
cadenmyers13 Jan 22, 2026
19028bb
checkpoint: tests passing after adding normalize_wavelength function
cadenmyers13 Jan 23, 2026
2c42e7c
checkpoint: tests passing
cadenmyers13 Jan 23, 2026
2441852
checkpoint: tests pass
cadenmyers13 Jan 23, 2026
e026bd2
all tests are passing... woohoo
cadenmyers13 Jan 23, 2026
cd149ef
removed debug comments
cadenmyers13 Jan 23, 2026
b27805e
update function name
cadenmyers13 Jan 23, 2026
e5fb489
longer docstring
cadenmyers13 Jan 23, 2026
0e39404
add Raises to normalize_wavelength func
cadenmyers13 Jan 23, 2026
b46489a
fix typo in mu*d calc from theoretical
cadenmyers13 Jan 23, 2026
7f62c5c
rm unnecessary comment
cadenmyers13 Jan 23, 2026
9d3dd5a
rm unnecessary stuff from conftest
cadenmyers13 Jan 23, 2026
20e5ade
cleanup some code usage
cadenmyers13 Jan 23, 2026
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5,631 changes: 5,631 additions & 0 deletions doc/source/examples/example-data/CeO2_635um_accum_0.xy

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2 changes: 1 addition & 1 deletion doc/source/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ diffpy.labpdfproc - Tools for processing x-ray powder diffraction data from labo
Authors
=======

diffpy.labpdfproc is developed by Billinge Group
diffpy.labpdfproc is developed by Yucong Chen, Till Schertenleib, Caden Myers, the Billinge Group
and its community contributors.

For a detailed list of contributors see
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23 changes: 23 additions & 0 deletions news/new-cli.rst
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**Added:**

* <news item>

**Changed:**

* Compartmentalize commands into the subcommands ``mud``, ``zscan``, and ``sample``. See documentation for more info.

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* <news item>

**Security:**

* <news item>
2 changes: 1 addition & 1 deletion src/diffpy/labpdfproc/functions.py
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Expand Up @@ -245,7 +245,7 @@ def _cve_method(method):
def compute_cve(
input_pattern, mud, method="polynomial_interpolation", xtype="tth"
):
f"""Compute and interpolate the cve
f"""Compute and interpolate the cylindrical volume effect (cve)
for the given input diffraction data and mu*D
using the selected method.

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