From 787e47f1c107cd84bb304f9b3de1dec9796ed16a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Todor=20Kondi=C4=87?= <todor.kondic@uni.lu> Date: Tue, 25 Jun 2019 23:14:54 +0200 Subject: [PATCH] Update docs --- man/p.sw.Rd | 9 +++++--- man/sw.do.Rd | 4 ++-- man/sw.single.1.Rd | 35 ++++++++++++++++++++++++++++++ man/{single.sw.Rd => sw.single.Rd} | 6 ++--- man/sw.single.next.Rd | 29 +++++++++++++++++++++++++ 5 files changed, 75 insertions(+), 8 deletions(-) create mode 100644 man/sw.single.1.Rd rename man/{single.sw.Rd => sw.single.Rd} (91%) create mode 100644 man/sw.single.next.Rd diff --git a/man/p.sw.Rd b/man/p.sw.Rd index 3f64c0b..def4a60 100644 --- a/man/p.sw.Rd +++ b/man/p.sw.Rd @@ -4,10 +4,13 @@ \alias{p.sw} \title{Parallel Spectral Workflow.} \usage{ -p.sw(fn_data, stgs_alist, wd, fn_cmpd_list, mode, readMethod = "mzR", - archdir = "archive", lastStep = 8, combine = F, cl = NULL) +p.sw(cl, fn_data, stgs_alist, wd, fn_cmpd_list, mode, readMethod = "mzR", + archdir = "archive", lastStep = 8, combine = F, + combdest = "combined") } \arguments{ +\item{cl}{Cluster.} + \item{fn_data}{A sequence of mzML input files.} \item{stgs_alist}{A list of named list of settings, or a list of @@ -28,7 +31,7 @@ filenames of YAML files containing the settings.} \item{combine}{If TRUE, use combineMultiplicies to merge workspaces corresponding to different collisional energies.} -\item{cl}{Cluster.} +\item{combdest}{Combine destination directory.} } \value{ A named list of spectral workspaces. The names are derived diff --git a/man/sw.do.Rd b/man/sw.do.Rd index a025d6c..21ad74f 100644 --- a/man/sw.do.Rd +++ b/man/sw.do.Rd @@ -4,7 +4,7 @@ \alias{sw.do} \title{Perform MassBank Workflow on Multiple Compound Mixtures} \usage{ -sw.do(fn_data, fn_cmpd_list, mode, rdir = ".", combine = F, proc = F) +sw.do(fn_data, fn_cmpd_list, mode, dest = ".", combine = F, proc = F) } \arguments{ \item{fn_data}{List of mzML data filenames to be processed.} @@ -13,7 +13,7 @@ sw.do(fn_data, fn_cmpd_list, mode, rdir = ".", combine = F, proc = F) \item{mode}{as in msmsRead.} -\item{rdir}{The root data directory.} +\item{dest}{The destination data directory.} \item{combine}{If TRUE, use combineMultiplicies to merge workspaces corresponding to different collisional energies.} diff --git a/man/sw.single.1.Rd b/man/sw.single.1.Rd new file mode 100644 index 0000000..725cf14 --- /dev/null +++ b/man/sw.single.1.Rd @@ -0,0 +1,35 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/mix.R +\name{sw.single.1} +\alias{sw.single.1} +\title{RMassBank Spectral Workflow on a Single Compound Mixture (step 1)} +\usage{ +sw.single.1(fn_data, stgs_alist, wd, fn_cmpd_list, mode, + readMethod = "mzR") +} +\arguments{ +\item{fn_data}{A mzML data file.} + +\item{stgs_alist}{RMassBank settings. It can either be a named +list of settings, or a filename of a YAML file.} + +\item{wd}{The name of the work directory.} + +\item{fn_cmpd_list}{The file name of he compound list +corresponding to \code{fn_data}.} + +\item{mode}{Modes as described in the standard workflow vignette +of RMassBank.} + +\item{readMethod}{Default read method is "mzR". Consult the +documentation of \code{msmsRead} for details.} +} +\value{ +MsmsWorkspace object. +} +\description{ +Runs the first step of the compound mixture workflow on a single mzML file. +} +\author{ +Todor Kondić +} diff --git a/man/single.sw.Rd b/man/sw.single.Rd similarity index 91% rename from man/single.sw.Rd rename to man/sw.single.Rd index 06fc2a0..ba0b18f 100644 --- a/man/single.sw.Rd +++ b/man/sw.single.Rd @@ -1,10 +1,10 @@ % Generated by roxygen2: do not edit by hand % Please edit documentation in R/mix.R -\name{single.sw} -\alias{single.sw} +\name{sw.single} +\alias{sw.single} \title{RMassBank Spectral Workflow on a Single Compound Mixture} \usage{ -single.sw(fn_data, stgs_alist, wd, fn_cmpd_list, mode, +sw.single(fn_data, stgs_alist, wd, fn_cmpd_list, mode, readMethod = "mzR", archdir = "archive", lastStep = 8) } \arguments{ diff --git a/man/sw.single.next.Rd b/man/sw.single.next.Rd new file mode 100644 index 0000000..78baeab --- /dev/null +++ b/man/sw.single.next.Rd @@ -0,0 +1,29 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/mix.R +\name{sw.single.next} +\alias{sw.single.next} +\title{RMassBank Spectral Workflow on a Single Compound Mixture (after step 1)} +\usage{ +sw.single.next(w, wd, archdir = "archive", lastStep = 8) +} +\arguments{ +\item{w}{The msmsWorkspace object that was processed by +sw.single.1.} + +\item{wd}{The current working dir.} + +\item{archdir}{The directory to store R objects created during +workflow execution.} + +\item{lastStep}{The last step in the workflow. Default is eight.} +} +\value{ +MsmsWorkspace object. +} +\description{ +Runs steps after sw.single.1 of compound mixture workflow on a +single mzML file. +} +\author{ +Todor Kondić +} -- GitLab