biosustain/shu

Grammar graphics Python API

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As in the schema in the README:

(
# reaction and metabolite aes correspond to their identifiers
ggmap(df, map_file, aes(metabolite="metabolite", reaction="reaction", size="flux", x="kcat")) +
    geom_arrow() +  # will use size and reaction
    geom_metabolite(aes(size="concentration")) +  # will use size and metabolite
    geom_box() +  # will use reaction and kcat, boxplot at one right of reactions
    geom_kde(aes(x="km"), side="left") +  # will use reaction and kms, plotted on the other side
    scale_color_continuous(min="blue", max="red") +
    scale_circle_size(min=10., max=45.)
)

As a initial step (if librification of bevy app + pyo3 turns out too complicated), generating an input file as accepted by ReactionData and MetaboliteData should be OK.

Implemented in 342c8cd.

Closing this but I'd also like to include an API for Maud (infd format) data.