Release `0.4.2` #36

janssenhenning · 2021-04-05T11:57:12Z

Changes in this release:

Added key descriptions to Plotter objects and get_mpl_help and get_bokeh_help functions in plotting modules for getting descriptions of parameters
MatplotlibPlotter and BokehPlotter now have a autogenerated table of descriptions and default values in the docstring (not as nicely formatted) and in the sphinx build (really nicely formatted)
Two new recipes for HDF5Reader for bandstructures (for reading in no or specific weights besides eigenvalues)
save_format in matplotlib plots can now be a list of formats
Various visual improvements to band/DOS plots:
- Bandstructure size scaling adjusted to not produce massive bands
- Bandstrcuture spin up components are now potted on top by default
- size/color scaling now done with respect to the maximum in the plotting region
- DOS added spin arrows in spin-polarized case
- DOS inverted x-axis in vertical plot (spin down now on the right side)
- DOS added symmetric limits in DOS direction for spin-polarized plots
- DOS default figsize flipped for vertical plots

… routines) Bokeh routines will also be adapted - markersize_min and markersize_scaling adjusted to not create too massively big bands - maximum used for size/color scaling now determined as maximum weight inside plotting region, for spin polarized plots also only one maximum value for both spins - plot_fleur_bands can now also accept the direct keys for the data argument and will not always attach spin suffixes

The general methods should be above all the specific facade methods

… one go

…nds are on top

…d add spin arrows indicating which is the spin-up/down component. Additionally the option to invert x and y axes is added

FleurSimpleBands: No additional weights are read in get_fleur_bands_specific_weights: recipe format function for just taking single/multiple names of weights to add explicitly

…keh plotting backend and functions to get descriptions of parameters. I will try to use these descriptions to create a nice autodocumenting table for the docstrings

…escriptions and currently set defaults. To be able to add this to the read the docs, some custom css overwrites had to added to restrict the table width to the textwidth

…ter table

codecov · 2021-04-05T12:00:11Z

Codecov Report

Merging #36 (62c0e12) into master (b94a967) will decrease coverage by 0.47%.
The diff coverage is 35.10%.

@@            Coverage Diff             @@
##           master      #36      +/-   ##
==========================================
- Coverage   76.47%   76.00%   -0.48%     
==========================================
  Files          87       87              
  Lines       14717    14851     +134     
==========================================
+ Hits        11255    11287      +32     
- Misses       3462     3564     +102

Impacted Files	Coverage Δ
masci_tools/vis/fleur.py	`0.00% <0.00%> (ø)`
masci_tools/vis/plot_methods.py	`43.65% <2.17%> (-1.69%)`	⬇️
masci_tools/vis/bokeh_plots.py	`7.97% <8.33%> (-0.02%)`	⬇️
masci_tools/io/parsers/hdf5/recipes.py	`68.96% <20.00%> (-25.78%)`	⬇️
masci_tools/io/parsers/hdf5/transforms.py	`75.59% <33.33%> (-2.19%)`	⬇️
masci_tools/vis/matplotlib_plotter.py	`73.48% <47.61%> (-2.14%)`	⬇️
masci_tools/vis/__init__.py	`90.82% <77.27%> (-1.48%)`	⬇️
masci_tools/io/fleurxmlmodifier.py	`92.74% <85.71%> (ø)`
masci_tools/__init__.py	`100.00% <100.00%> (ø)`
masci_tools/vis/bokeh_plotter.py	`32.29% <100.00%> (+0.85%)`	⬆️

Continue to review full report at Codecov.

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…a nice outcome here

janssenhenning added 13 commits April 3, 2021 21:51

Also adapt bokeh_plots with changed maximum value handling for scaling

44d0b11

Update checkout and setup-python actions to v2

7e953ae

Reorder methods in FleurXMLModifier

8784e89

The general methods should be above all the specific facade methods

Allow save_format to be a list to store a plot in multiple formats in…

d145e9b

… one go

Change plotting order in spin polarized band plots do that spin-up ba…

2722a52

…nds are on top

Adapt spin polarized DOS plot to have symmetric limits on DOS axis an…

edf5d16

…d add spin arrows indicating which is the spin-up/down component. Additionally the option to invert x and y axes is added

figsize should be flipped if xyswitch is True in DOS plots

ebdfb71

Added two new recipes for FleurBands

983e925

FleurSimpleBands: No additional weights are read in get_fleur_bands_specific_weights: recipe format function for just taking single/multiple names of weights to add explicitly

Update pyproject.toml

65a64a8

Implement descriptions of implemented parameters in matplotlib and bo…

b2f5a6e

…keh plotting backend and functions to get descriptions of parameters. I will try to use these descriptions to create a nice autodocumenting table for the docstrings

Implement a automatically updating table in Plotter docstrings with d…

183e529

…escriptions and currently set defaults. To be able to add this to the read the docs, some custom css overwrites had to added to restrict the table width to the textwidth

Add some code samples for key names and default values in plot parame…

8d0033e

…ter table

janssenhenning added 2 commits April 5, 2021 14:01

Bump version: 0.4.1 → 0.4.2

b69837a

Reformat _generat_plot_parameters_table, since yapf does not produce …

62c0e12

…a nice outcome here

janssenhenning merged commit d7040d3 into master Apr 5, 2021

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Release `0.4.2` #36

Release `0.4.2` #36

janssenhenning commented Apr 5, 2021

codecov bot commented Apr 5, 2021 •

edited

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Release 0.4.2 #36

Release 0.4.2 #36

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janssenhenning commented Apr 5, 2021

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Release `0.4.2` #36

Release `0.4.2` #36

codecov bot commented Apr 5, 2021 •

edited

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