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Description
Problem
The srmise --help
CLI command is not working. I was following the release checklist to test some basic functionality (good!)
Proposed solution
Add the following in project.toml
:
[project.scripts]
srmise = "diffpy.srmise.applications.extract:main"
Result:
imac@imacs-iMac diffpy.srmise % srmise --help
Usage: srmise pdf_file [options]
pdf_file is a file containing a PDF (accepts several common formats), or a .srmise file.
The SrMise package is a tool to aid extracting and fitting peaks that comprise
a pair distribution function. This script exposes basic peak extraction
functionality. For many PDFs it is sufficient to specify the range, baseline,
and sometimes an ad hoc uncertainty. See the discussion of these options below
for further guidance.
Options:
--version show program's version number and exit
-h, --help show this help message and exit
--extract [Default] Perform extraction.
--no-extract Do not perform extraction.
--range=rmin rmax Extract over the range (rmin, rmax).
--qmax=QMAX Model peaks with this maximum q value.
--nyquist Use Nyquist resampling if qmax > 0.
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