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add xraydb function to compute muD #126

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add xraydb function to compute muD #126

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3fc9e5a
make mud an optional argument, add options for entering sample/energy…
yucongalicechen Nov 4, 2024
c537fe4
add option for user to enter mu and diameter separately
yucongalicechen Nov 4, 2024
bcff387
add functions to compute muD from xraydb database
yucongalicechen Nov 4, 2024
1127a0c
add news
yucongalicechen Nov 6, 2024
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make mud an optional argument, add options for entering sample/energy… 
…/density/diameter so that we can compute muD for user
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@yucongalicechen
yucongalicechen committed Nov 4, 2024
commit 3fc9e5abee29e63b0f51131cbd57df2ba5cff056
8 changes: 6 additions & 2 deletions src/diffpy/labpdfproc/labpdfprocapp.py
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Expand Up @@ -9,7 +9,7 @@

def get_args(override_cli_inputs=None):
p = ArgumentParser()
p.add_argument("mud", help="Value of mu*D for your " "sample. Required.", type=float)
p.add_argument("mud", nargs="?", help="Value of mu*D for your sample.", default=None, type=float)
p.add_argument(
"input",
nargs="+",
Expand Down Expand Up @@ -126,9 +126,13 @@ def get_args(override_cli_inputs=None):
p.add_argument(
"-z",
"--z-scan-file",
help="Path to the z-scan file to be loaded to determine the mu*D value",
help="Path to the z-scan file to be loaded to determine the mu*D value.",
default=None,
)
p.add_argument("--sample", help="The chemical formula or name of your material.", default=None)
p.add_argument("--energy", help="The energy in eV", default=None, type=float)
p.add_argument("--density", help="The material density in gr/cm^3.", default=None, type=float)
p.add_argument("--diameter", help="The capillary diameter in mm.", default=None, type=float)
args = p.parse_args(override_cli_inputs)
return args

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