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docs: add docstrings for on_d, on_q, on_tth, and dump #307

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Merged
sbillinge merged 3 commits into from
Dec 31, 2024
Merged

docs: add docstrings for on_d, on_q, on_tth, and dump #307

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6757a57
docs: add docstrings and news
yucongalicechen Dec 31, 2024
da009de
docs: refine docstring and add example for dump
yucongalicechen Dec 31, 2024
dd5995b
docs: add more examples
yucongalicechen Dec 31, 2024
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14 changes: 11 additions & 3 deletions src/diffpy/utils/diffraction_objects.py
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Original file line number Diff line number Diff line change
Expand Up @@ -422,7 +422,7 @@ def on_q(self):

Returns
-------
(xarray, yarray) : tuple of ndarray
(q-array, y-array) : tuple of ndarray
The tuple containing two 1D numpy arrays with q and y data
"""
return [self.all_arrays[:, 1], self.all_arrays[:, 0]]
Expand All @@ -432,7 +432,7 @@ def on_tth(self):

Returns
-------
(xarray, yarray) : tuple of ndarray
(tth-array, y-array) : tuple of ndarray
The tuple containing two 1D numpy arrays with tth and y data
"""
return [self.all_arrays[:, 2], self.all_arrays[:, 0]]
Expand All @@ -442,7 +442,7 @@ def on_d(self):

Returns
-------
(xarray, yarray) : tuple of ndarray
(d-array, y-array) : tuple of ndarray
The tuple containing two 1D numpy arrays with d and y data
"""
return [self.all_arrays[:, 3], self.all_arrays[:, 0]]
Expand Down Expand Up @@ -537,6 +537,14 @@ def dump(self, filepath, xtype=None):
The filepath where the diffraction object will be dumped
xtype : str, optional, default is q
The type of quantity for the independent variable chosen from {*XQUANTITIES, }

Examples
--------
To save a diffraction object to a file named "diffraction_data.chi" with
the independent variable 'q':

>>> file = "diffraction_data.chi"
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@sbillinge sbillinge Dec 31, 2024

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Let's also have another example, that shows a relative path. I think that should then be clear enough.

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@yucongalicechen yucongalicechen Dec 31, 2024

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Sounds great! I'll add that.

>>> do.dump(file, xtype="q")
"""
if xtype is None:
xtype = "q"
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