diff --git a/man/RMB_EIC_prescreen_df.Rd b/man/RMB_EIC_prescreen_df.Rd deleted file mode 100644 index 13016b13aeb3f850bf6dad2fabda3cd1eedee151..0000000000000000000000000000000000000000 --- a/man/RMB_EIC_prescreen_df.Rd +++ /dev/null @@ -1,29 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{RMB_EIC_prescreen_df} -\alias{RMB_EIC_prescreen_df} -\title{Prescreen} -\usage{ -RMB_EIC_prescreen_df(wd, RMB_mode, FileList, cmpd_list, - ppm_limit_fine = 10, EIC_limit = 0.001) -} -\arguments{ -\item{wd}{Absolute path to the directory that will contain the -resulting data frame.} - -\item{RMB_mode}{...} - -\item{FileList}{...} - -\item{cmpd_list}{...} - -\item{ppm_limit_fine}{...} - -\item{EIC_limit}{...} -} -\description{ -Prescreens. Writes data out. Adapted from ReSOLUTION -} -\author{ -Emma Schymanski, Todor Kondić -} diff --git a/man/gen_cmpd_l.Rd b/man/gen_cmpd_l.Rd deleted file mode 100644 index e2a69af6910b934079dd85aa43e3763f50a6ff5e..0000000000000000000000000000000000000000 --- a/man/gen_cmpd_l.Rd +++ /dev/null @@ -1,27 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{gen_cmpd_l} -\alias{gen_cmpd_l} -\title{Generate Compound List File} -\usage{ -gen_cmpd_l(src_fn, dest_fn) -} -\arguments{ -\item{src_fn}{The input compound list CSV filename.} - -\item{dest_fn}{The resulting compound list CSV filename.} -} -\value{ -Number of compounds. -} -\description{ -Generate the RMassBank compound list from the input compound list -in CSV file src_fn. The input compound list format is either a -Chemical Dashboard csv file with, at least, PREFERRED_ SMILES -columns \emph{filled} out, or just an ordinary CSV file with columns -SMILES and Names filled. Argument dest_fn is the destination -filename. Returns the number of compounds. -} -\author{ -Todor Kondić -} diff --git a/man/gen_cmpdl_and_load.Rd b/man/gen_cmpdl_and_load.Rd deleted file mode 100644 index a782c7bc8c0b4c9138ac02f3733d4e45af5a204a..0000000000000000000000000000000000000000 --- a/man/gen_cmpdl_and_load.Rd +++ /dev/null @@ -1,24 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{gen_cmpdl_and_load} -\alias{gen_cmpdl_and_load} -\title{Generate and Load the RMassBank Compound List} -\usage{ -gen_cmpdl_and_load(wd, fn_cmpdl) -} -\arguments{ -\item{wd}{Directory under which results are archived.} - -\item{fn_cmpdl}{The input compound list filename.} -} -\value{ -Named list. The key \code{fn_cmpdl} is the path of the -generated compound list and the key \code{n} the number of -compounds. -} -\description{ -Generates the RMassBank compound list and loads it. -} -\author{ -Todor Kondić -} diff --git a/man/gen_ftable.Rd b/man/gen_ftable.Rd deleted file mode 100644 index de5f27d08217170cf6b89b75d3dcb34741dd56ec..0000000000000000000000000000000000000000 --- a/man/gen_ftable.Rd +++ /dev/null @@ -1,24 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{gen_ftable} -\alias{gen_ftable} -\title{Generate and Load the RMassBank Settings File} -\usage{ -gen_ftable(fn_data, wd, n_cmpd) -} -\arguments{ -\item{fn_data}{The mzML filename.} - -\item{wd}{Directory under which results are archived.} - -\item{n_cmpd}{Number of compounds.} -} -\value{ -File path of the file table. -} -\description{ -Generates file table. -} -\author{ -Todor Kondić -} diff --git a/man/gen_stgs_and_load.Rd b/man/gen_stgs_and_load.Rd deleted file mode 100644 index 1fb26fcadaa0cd354710dcbf389120cdfd1913d9..0000000000000000000000000000000000000000 --- a/man/gen_stgs_and_load.Rd +++ /dev/null @@ -1,22 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{gen_stgs_and_load} -\alias{gen_stgs_and_load} -\title{Generate and Load the RMassBank Settings File} -\usage{ -gen_stgs_and_load(stgs, wd) -} -\arguments{ -\item{stgs}{Settings named list, or a settings filename.} - -\item{wd}{Directory under which results are archived.} -} -\value{ -result of RMassBank::loadRmbSettings -} -\description{ -Generates settings file and loads it. -} -\author{ -Todor Kondić -} diff --git a/man/mk_combine_file.Rd b/man/mk_combine_file.Rd deleted file mode 100644 index 9c02d2cfc77c04d850667107850af02b2c7e4e67..0000000000000000000000000000000000000000 --- a/man/mk_combine_file.Rd +++ /dev/null @@ -1,26 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{mk_combine_file} -\alias{mk_combine_file} -\title{Combine RMB Settings With Different Collisional Energies} -\usage{ -mk_combine_file(sett_fns, fname) -} -\arguments{ -\item{sett_fns}{A list of settings files.} - -\item{fname}{The name of the combined file.} -} -\value{ -fname -} -\description{ -Combine the RMB settings files -} -\details{ -Combine RMB settings with different collisional energies into one -settings file with multiple collisional energy entries. -} -\author{ -Todor Kondić -} diff --git a/man/mk_sett_file.Rd b/man/mk_sett_file.Rd deleted file mode 100644 index cbf885acf6429be534d34326454305720c5054e4..0000000000000000000000000000000000000000 --- a/man/mk_sett_file.Rd +++ /dev/null @@ -1,22 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{mk_sett_file} -\alias{mk_sett_file} -\title{Generate RMassBank settings file.} -\usage{ -mk_sett_file(sett_alist, file) -} -\arguments{ -\item{sett_alist}{The named list of settings that are different -from the RMassBank defaults.} - -\item{file}{The name of the YAML specification that will be merged -with the template Rmb settings file.} -} -\description{ -Produce the Rmb Settings file -} -\details{ -Produce the Rmb Settings file based on the customisation file in -YAML format. -} diff --git a/man/no_drama_mkdir.Rd b/man/no_drama_mkdir.Rd deleted file mode 100644 index c33d17dca9fe4c8aad8577c798f3294c3915f057..0000000000000000000000000000000000000000 --- a/man/no_drama_mkdir.Rd +++ /dev/null @@ -1,23 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{no_drama_mkdir} -\alias{no_drama_mkdir} -\title{Create directories without drama} -\usage{ -no_drama_mkdir(path) -} -\arguments{ -\item{path}{Names of the directories.} -} -\value{ -The character string containing the input argument \code{path}. -} -\description{ -Create directories without drama. -} -\details{ -Create directories without drama. -} -\author{ -Todor Kondić -} diff --git a/man/presc.do.Rd b/man/presc.do.Rd deleted file mode 100644 index 162677c29787fcad7eeb80ecc9a1eb03550f3636..0000000000000000000000000000000000000000 --- a/man/presc.do.Rd +++ /dev/null @@ -1,31 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/run.R -\name{presc.do} -\alias{presc.do} -\title{Prescreening on bunch of files.} -\usage{ -presc.do(fn_data, fn_cmpd_l, mode, dest = ".", proc = F, ...) -} -\arguments{ -\item{fn_data}{The mzML files. Basis for the out directory name -generation.} - -\item{fn_cmpd_l}{The compound list.} - -\item{mode}{RMB mode.} - -\item{dest}{Destination directory.} - -\item{proc}{Amount of processors, or FALSE.} - -\item{fn_cmpd_list}{The compound list CSV.} -} -\value{ -Nothing useful. -} -\description{ -Do the prescreening. -} -\author{ -Todor Kondić -} diff --git a/man/presc.plot.Rd b/man/presc.plot.Rd deleted file mode 100644 index fb9939d6d477215c8bd9efb4d6436dbfe3c7aa8c..0000000000000000000000000000000000000000 --- a/man/presc.plot.Rd +++ /dev/null @@ -1,43 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{presc.plot} -\alias{presc.plot} -\title{Plot the Output of Prescreen} -\usage{ -presc.plot(prescdf, mode, out = "prescreen.pdf", fn_cmpd_l, - pal = "Dark2", cex = 0.75, rt_digits = 2, m_digits = 4) -} -\arguments{ -\item{prescdf}{File table data-frame. See presc.shiny for details.} - -\item{mode}{RMB mode.} - -\item{out}{The name of the output file.} - -\item{fn_cmpd_l}{The compound list name.} - -\item{pal}{ColorBrewer palette name.} - -\item{cex}{As in legend.} - -\item{rt_digits}{Number of digits after the point for the retention time.} - -\item{m_digits}{Number of digits after the point for the mass.} - -\item{wd}{Sequence of data dirs containing the prescreen subdir.} - -\item{digits}{Number of significant digits for peak ret times.} -} -\value{ -Nothing useful. -} -\description{ -Plot the output of prescreen. -} -\author{ -Todor Kondić - -Mira Narayanan - -Anjana Elapavalore -} diff --git a/man/presc.shiny.Rd b/man/presc.shiny.Rd deleted file mode 100644 index d2f0e5d163fa35d128aa7205e1de7951f30f0244..0000000000000000000000000000000000000000 --- a/man/presc.shiny.Rd +++ /dev/null @@ -1,41 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{presc.shiny} -\alias{presc.shiny} -\title{Prescreening with Shiny} -\usage{ -presc.shiny(prescdf, mode, fn_cmpd_l, pal = "Dark2", cex = 0.75, - rt_digits = 2, m_digits = 4) -} -\arguments{ -\item{prescdf}{File table data-frame. Columns: Files,ID,wd,tag,set_name ...} - -\item{mode}{RMassBank mode.} - -\item{fn_cmpd_l}{Compound list file name.} - -\item{pal}{ColorBrewer palette.} - -\item{cex}{Size of fonts.} - -\item{rt_digits}{Number of decimal places for the retention time.} - -\item{m_digits}{Number of decimal places for the mass.} -} -\value{ -Nothing useful. -} -\description{ -Prescreening using shiny interface. -} -\author{ -Jessy Krier - -Mira Narayanan - -Hiba Mohammed Taha - -Anjana Elapavalore - -Todor Kondić -} diff --git a/man/rendersmiles2.Rd b/man/rendersmiles2.Rd deleted file mode 100644 index f9bf7abeb3d1f8c8e56eeac1e2b503fccf8f6976..0000000000000000000000000000000000000000 --- a/man/rendersmiles2.Rd +++ /dev/null @@ -1,24 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{rendersmiles2} -\alias{rendersmiles2} -\title{Turn SMILES to an Image Using Online Resource} -\usage{ -rendersmiles2(smiles, style = "cow", ...) -} -\arguments{ -\item{smiles}{The SMILES string.} - -\item{style}{Structure style.} - -\item{...}{Hand over to renderurl.} -} -\value{ -Nothing useful. -} -\description{ -Render smiles from an online resource. -} -\author{ -Todor Kondić -} diff --git a/man/renderurl.Rd b/man/renderurl.Rd deleted file mode 100644 index b1a143f46a0f5ba9655608ae19b03b45155be6d3..0000000000000000000000000000000000000000 --- a/man/renderurl.Rd +++ /dev/null @@ -1,25 +0,0 @@ -% Generated by roxygen2: do not edit by hand -% Please edit documentation in R/mix.R -\name{renderurl} -\alias{renderurl} -\title{Render Compound from an Online Resource} -\usage{ -renderurl(depictURL, coords = c(0, 0, 100, 100), - filename = tempfile(fileext = ".svg")) -} -\arguments{ -\item{depictURL}{The URL of the object to plot.} - -\item{coords}{The positioning of the image (in data coords).} - -\item{filename}{Temp filename.} -} -\value{ -Nothing useful. -} -\description{ -Helper function for rendersmiles2 -} -\author{ -Todor Kondić -}