pb866 / dsmaccanalysis Goto Github PK

Revise code and transform to Julia v1.0

• Update syntax
• Adjust to Pkg3
• Make DSMACCanalysis a package

• Develop ROPA analysis tool that finds most important oxidation pathways down to CO₂ (consider path above certain threshold of total loss rate of parent compound (default 5%) or use the main sink)
• Additional option to find sources of species with threshold for import source fluxes up to emitted primary species
• Define mean in Settings section as day, night or all, which determines whether the mean is calculated over the whole modelling period or just day- or night-time (using night-times from function def_night, where j(NO₂) is 0).

• Grey shade during night time in plots
• Options for Julian time and model time starting at 0
• Feature in settings to save single plots to a folder
• Automatic package installation for missing modules and python libraries
• Unit conversion for flux plots of ROPA analysis
• ROPA bar plots with mean fluxes and percentages
• New section Manipulation in plot files, which allows summation of concentrations and formation of ratios

Make specs, rates and fluxes arrays a dictionary (or dataframe with symbols of species/reactions as column names) to avoid having to make the search for species/reactions more convenient without find.

Dictionaries seem better solution as the are not bound to the same column length and having to have a workaround wrapping it in an outer array and are fastest.

• Test performance finding every entry for a 10.000 integer array:
  • Dictionary (fastest): 0.0023
  • DataFrame: 0.0118
  • Find: 0.4907
  • Findin (slowest): 1.2959
• Transform specs, rates, and flux arrays into dictionaries
• Revise search in DSMACCanalysis
• Make MCM version obsolete (not needed as no translation back from GECKO-A to MCM in newly structured scripts), adjust input files and read routines
• Adjust plotting to new data format