Add keyword hide_f_block: bool = None (La and Ac series) to ptable plotters

[DanielYang59]

Summary

• Allow easy hiding of f-block (La and Ac series) in ptable plotter, to close Several possible improvements for ptable_heatmap plotter #138

• (Need discussion) Set some arguments to be keyword-only
  Rationale: most args in ptable plotters are complicated, and set them as keyword-only might reduce ambiguity.

TODO

• Update other ptable plotters (only those with new implementation)
• Update README to include one example of this functionality

[janosh]

this looks great! 👍 all that's missing are some unit tests

[DanielYang59]

I thought I would do this after refactor all other plotters with the new PTableProjector, but thanks for fixing this.

[DanielYang59]

this looks great! 👍

Thanks for reviewing.

all that's missing are some unit tests

Exactly, but I found it tricky to write unit tests for plotters. Do you have any suggestions?

Assert a Figure being generated doesn't really check the results of a plotter. And I have to visually inspect the result (this sounds quite hard to be automated, unlike data processors).

[janosh]

Assert a Figure being generated doesn't really check the results of a plotter. And I have to visually inspect the result (this sounds quite hard to be automated, unlike data processors).

i would test that if hide_f_block is True, the plot contains 30 fewer element tiles and maybe confirm that all the lanthanide and actinide element symbols are absent in labels = {txt.get_text() for txt in ax.texts}

[DanielYang59]

Sounds great. I would add this later :)

[janosh]

Sounds great. I would add this later :)

great. i think once this is merged, we're ready for a v0.8.2 release so people who install from pypi can start using ptable_heatmap_splits.

[janosh]

i think we can be a bit smarter about the hide_f_block default behavior. let's set it to None by default and then use True or False depending on whether we have non-zero values for any rare earths. passing True or False explicitly of course will override this behavior

[janosh]

nice, much better now. didn't actually notice all the white space before

[DanielYang59]

i think we can be a bit smarter about the hide_f_block default behavior. let's set it to None by default and then use True or False depending on whether we have non-zero values for any rare earths. passing True or False explicitly of course will override this behavior

Excellent idea. Let's do it.

[janosh]

one more thing to change here: it's always a good to maintain SSOT to avoid drift and to ensure it remains easy to rename things in the future. the "Value" key is hard-coded in many places in this file. would be better to add a new key in init.py

[DanielYang59]

Yes, as we're hard coding the column names:

pymatviz/pymatviz/ptable.py

Lines 217 to 254 in 39fd71e

	def data_preprocessor(data: SupportedDataType) -> pd.DataFrame:
	"""Preprocess input data for ptable plotters, including:
	- Convert all data types to pd.DataFrame.
	- Impute missing values.
	- Handle anomalies such as NaN, infinity.
	- Write vmin/vmax as metadata into the DataFrame.
	Returns:
	pd.DataFrame: The preprocessed DataFrame with element names
	as index and values as columns.
	Example:
	>>> data_dict: dict = {
	"H": 1.0,
	"He": [2.0, 4.0],
	"Li": [[6.0, 8.0], [10.0, 12.0]],
	}
	OR
	>>> data_df: pd.DataFrame = pd.DataFrame(
	data_dict.items(),
	columns=["Element", "Value"]
	).set_index("Element")
	OR
	>>> data_series: pd.Series = pd.Series(data_dict)
	>>> preprocess_data(data_dict/df/series)
	Element Value
	0 H [1.0, ]
	1 He [2.0, 4.0]
	2 Li [[6.0, 8.0], [10.0, 12.0]]
	Metadata:
	vmin: 1.0
	vmax: 12.0
	"""

[janosh]

thanks so much for this @DanielYang59! 👍

[DanielYang59]

It looks like this breaks the site builder workflow. I should have used a raw string instead. Please help me fix this. Thanks!

[janosh]

will fix, PR incoming for SSOT of keys across the whole code base

[DanielYang59]

Great to collaborate with you on this one. Thanks!