- Aug 01, 2019
-
-
Todor Kondic authored
* R/mix.R(rendersmiles2): Fix colour.
-
- Jul 03, 2019
-
-
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.
-
- Jul 01, 2019
-
-
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.
-
- Jun 26, 2019
-
-
Todor Kondic authored
* README.org: New file.
-
- Jun 25, 2019
-
-
Todor Kondic authored
-
Todor Kondic authored
-
Todor Kondic authored
* README.org: New file.
-
- Jun 24, 2019
-
-
Todor Kondic authored
-
Todor Kondic authored
* R/mix.R(presc.plot): New argument. [pal] Colorbrewer palette.
-
Todor Kondic authored
* R/mix.R(presc.plot): New function. Plots the prescreening data.
-
Todor Kondic authored
* R/run.R(presc.do): New function. Top level prescreening function. * NAMESPACE: New exports. * man: Update doc.
-
- Jun 23, 2019
-
-
Todor Kondic authored
* R/mix.R(presc.p): New function. Paralellises presc.single. * NAMESPACE: New export. * man: Update docs.
-
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.
-
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.
-
- Jun 22, 2019
-
-
Todor Kondic authored
-
- Jun 21, 2019
-
-
Todor Kondic authored
-
Todor Kondic authored
-
Todor Kondic authored
* R/mix.R(presc.single): New function. * man/presc.single.Rd: New documentation.
-
- Jun 19, 2019
-
-
Todor Kondic authored
* README.org: New file.
-
Todor Kondic authored
-
Todor Kondic authored
-
Todor Kondic authored
-
- Jun 17, 2019
-
-
Todor Kondic authored
* R/run.R(sw.do): New argument. [proc] * man/sw.do.Rd: Update docs.
-
Todor Kondic authored
* R/mix.R(single.sw): Changed lastStep to 7. Need to revert in the next commit. (v,p.sw): Added combine capability. * R/run.R(sw.do): Extended to support combine. * man(p.sw.Rd,sw.do.Rd,v.Rd): Updated documentation.
-
Todor Kondic authored
* R/mix.R(p.sw,v): New argument. [lastStep] * man/p.sw.Rd: New function documentation. * man/v.Rd: Update.
-
Todor Kondic authored
* R/mix.R(single.sw): New argument. [lastStep] Controls at which point to finish spectral step. * man/single.sw.Rd: Update documentation.
-
- May 30, 2019
-
-
Todor Kondic authored
-
- May 29, 2019
-
-
Todor Kondic authored
-