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docs: some parts in documentation are incorrect. #352
Description
Activity
The function
DiffractionObject.get_array_indexdef get_array_index(self, xtype, xvalue): """Return the index of the closest value in the array associated with the specified xtype and the value provided. ... xtype = self._input_xtype xarray = self.on_xtype(xtype)[0] if len(xarray) == 0: raise ValueError( f"The '{xtype}' array is empty. " "Please ensure it is initialized." ) index = (np.abs(xarray - xvalue)).argmin() return index """So the input parameter
xtypedoesn't have an effect at all. Thus, the following codex = np.linspace(0, 90, 1000) y = np.random.rand(1000) tmp = DiffractionObject( xarray=x, yarray=y, xtype="angle", wavelength=1.54, ) index_angle = tmp.get_array_index(xvalue=0.24, xtype="angle") index_q_from_function = tmp.get_array_index(xvalue=0.24, xtype="q") real_index_q = np.argmin(np.abs(tmp.on_xtype("q")[0] - 0.24)) print(index_angle == index_q_from_function) print(index_q_from_function == real_index_q)returns
TrueandFalse.@sbillinge, is it a bug we want to fix?
- changed the title
[-]docs: example of using `get_array_index` failed[/-][+]docs: Some parts in documentation are incorrect.[/+]on Jul 24, 2025 - changed the title
[-]docs: Some parts in documentation are incorrect.[/-][+]docs: some parts in documentation are incorrect.[/+]on Jul 24, 2025 @sbillinge, is it a bug we want to fix?
yes, this looks like a bug. The intent is that the user wants the index of, for example, Q=23.4 a-1, or tth=45 deg. so inside we want to use the relevant xarray, be it Q or tth or whatever.
Let's write some tests for this then fix the code.
Please check everywhere in the code where this is used, and also the docs so everything agrees. Maybe do all that work on separate PR clsing a separate issue.
Please also fix all the other documentation issues that you found.
Reacted by Yuchen Xiao
Problems
DiffractionObject.get_array_indexdiffpy.utils.transform.d_to_tthfailed example for
DiffractionObject.get_array_indexIn
Diffraction Objects Exampledocumentation step 4will raise
Because the signature is
failed example for
diffpy.utils.transform.d_to_tthIn https://www.diffpy.org/diffpy.utils/examples/transforms_example.html#id1, step 3
will raise
duplicate code block
In https://www.diffpy.org/diffpy.utils/examples/resample_example.html#resampling-example, step 1. The same code block and words appear twice. This might be a typo.
markup not rendered correctly
In https://www.diffpy.org/diffpy.utils/examples/parsers_example.html#id1, step 5. A sentence is included in a code block.
Proposed solution