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  1. Aug 01, 2019
  2. Jul 03, 2019
    • Todor Kondic's avatar
      Add structure plotting · e6b2fc57
      Todor Kondic authored
      * DESCRIPTION: New imports.
        [curl]
      
      * R/mix.R(rendersmiles2,renderurl): New functions.
        Various function that are a rip-off of Emma's RChemMass and deal
        with the plotting of structures using an online resource.
      
      * man: Update docs.
      e6b2fc57
  3. Jul 01, 2019
    • Todor Kondic's avatar
      Streamline mix.R and run.R · 9bcf7c6c
      Todor Kondic authored
      More sensible (re)loading of the configuration files, encapsulation of
      certain operations and other fixes
      
      * mix.R(get_.*): Generate various filenames.
      
      * mix.R(various intermediate wrappers around RMassBank calls):
        removed.
      
      * run.R(presc.do): Adjust to changes in mix.R
      
      * man: Update docs.
      
      * NAMESPACE: Update exports.
      9bcf7c6c
  4. Jun 26, 2019
  5. Jun 25, 2019
  6. Jun 24, 2019
  7. Jun 23, 2019
    • Todor Kondic's avatar
      Add presc.p · 36def816
      Todor Kondic authored
      * R/mix.R(presc.p): New function. Paralellises presc.single.
      
      * NAMESPACE: New export.
      
      * man: Update docs.
      36def816
    • Todor Kondic's avatar
      Add presc.v · 1826e6de
      Todor Kondic authored
      * R/mix.R(presc.v): New function. Vectorises presc.single.
      
      * NAMESPACE: Update exports.
      
      * man(presc.single.Rd,presc.v.Rd): Update docs.
      1826e6de
    • Todor Kondic's avatar
      Add RMB_EIC_prescreen_df · ff55acb8
      Todor Kondic authored
      * R/mix.R(RMB_EIC_prescreen_df): New function. Instead of pdf file
        with plots, this one records the data.frames to laters serve as
        inputs to plotting stages.
      ff55acb8
  8. Jun 22, 2019
  9. Jun 21, 2019
  10. Jun 19, 2019
  11. Jun 17, 2019
  12. May 30, 2019
  13. May 29, 2019
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