Commits · dc229aaf8c67adc39fddd4f6534c75b373c5219b · Environmental Cheminformatics / shinyscreen

Aug 01, 2019
- Depict with colour · a978228c
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  a978228c
Jul 18, 2019
- Shiny minimal implementation works · 907e4903
  Jessy Krier authored 5 years ago
  
  907e4903
Jul 01, 2019

Todor Kondic authored 5 years ago

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

Jun 25, 2019
- Add README.org · 88390173
  Todor Kondic authored 5 years ago
  
  * README.org: New file.
  88390173
Jun 24, 2019

Add presc.plot · 28121410

Todor Kondic authored 5 years ago

* R/mix.R(presc.plot): New function. Plots the prescreening data.

28121410

Add presc.do · 1adebc07

Todor Kondic authored 5 years ago

* R/run.R(presc.do): New function. Top level prescreening function.

* NAMESPACE: New exports.

* man: Update doc.

1adebc07

Jun 23, 2019

Add presc.p · 36def816

Todor Kondic authored 5 years ago

* R/mix.R(presc.p): New function. Paralellises presc.single.

* NAMESPACE: New export.

* man: Update docs.

36def816

Add presc.v · 1826e6de

Todor Kondic authored 5 years ago

* R/mix.R(presc.v): New function. Vectorises presc.single.

* NAMESPACE: Update exports.

* man(presc.single.Rd,presc.v.Rd): Update docs.

1826e6de

Jun 21, 2019
- Update mix.R · 40eb35c9
  Todor Kondic authored 5 years ago
  
  * R/mix.R(presc.single): Export * NAMESPACE: Add exports
  40eb35c9
May 29, 2019
- Package with minimal functionality · dd4f0019
  Todor Kondic authored 5 years ago
  
  Unverified
  
  dd4f0019