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UPD documentation and warning message
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MASHUOA committed Dec 9, 2019
1 parent f88d1cf commit e87cf1c
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Showing 20 changed files with 246 additions and 356 deletions.
7 changes: 0 additions & 7 deletions NAMESPACE
Original file line number Diff line number Diff line change
Expand Up @@ -14,10 +14,3 @@ import(doParallel)
import(multtest)
import(pacman)
import(tcltk)
importFrom(stats,na.omit)
importFrom(stats,runif)
importFrom(utils,download.file)
importFrom(utils,modifyList)
importFrom(utils,packageVersion)
importFrom(utils,read.table)
importFrom(utils,tail)
64 changes: 32 additions & 32 deletions R/Canidate_processing.R
Original file line number Diff line number Diff line change
Expand Up @@ -23,10 +23,10 @@ Meta_feature_list_fun<-function(database,
cal.mz=TRUE,
bypass=FALSE,
BPPARAM=bpparam()){
library("Rcpp")
library(dplyr)
library(Rdisop)
library(Biostrings)
suppressMessages(suppressWarnings(require("Rcpp")))
suppressMessages(suppressWarnings(require(dplyr)))
suppressMessages(suppressWarnings(require(Rdisop)))
suppressMessages(suppressWarnings(require(Biostrings)))

adductslist<-Build_adduct_list()
candidates<-read.csv(paste0(workdir,"/",database),as.is = TRUE)
Expand Down Expand Up @@ -108,16 +108,16 @@ Protein_feature_list_fun<-function(workdir=getwd(),
output_candidatelist=T,
Modifications=list(fixed=NULL,variable=NULL),
use_previous_candidates=F){
library(Biostrings)
library(cleaver)
library(protViz)
library(rcdk)
library(BiocParallel)
library(OrgMassSpecR)
library(rJava)
library(rcdklibs)
library(grid)
library(stringr)
suppressMessages(suppressWarnings(require(Biostrings)))
suppressMessages(suppressWarnings(require(cleaver)))
suppressMessages(suppressWarnings(require(protViz)))
suppressMessages(suppressWarnings(require(rcdk)))
suppressMessages(suppressWarnings(require(BiocParallel)))
suppressMessages(suppressWarnings(require(OrgMassSpecR)))
suppressMessages(suppressWarnings(require(rJava)))
suppressMessages(suppressWarnings(require(rcdklibs)))
suppressMessages(suppressWarnings(require(grid)))
suppressMessages(suppressWarnings(require(stringr)))
setwd(workdir)


Expand Down Expand Up @@ -314,8 +314,8 @@ Protein_feature_list_fun<-function(workdir=getwd(),
if (Decoy_search && ("elements" %in% Decoy_mode)){

message(paste("Generating peptide formula with Decoy elemental composition."))
library(enviPat)
library(rcdk)
suppressMessages(suppressWarnings(require(enviPat)))
suppressMessages(suppressWarnings(require(rcdk)))
total_target_mols<-unique(Protein_Summary$formula)

target_mz=unique(round(as.numeric(Protein_Summary$mz),digits = 3))
Expand Down Expand Up @@ -416,8 +416,8 @@ Protein_feature_list_fun<-function(workdir=getwd(),


vendiagram<-function(){
library(stringr)
library(tcltk)
suppressMessages(suppressWarnings(require(stringr)))
suppressMessages(suppressWarnings(require(tcltk)))
folder1<-tkchooseDirectory()
folder2<-tkchooseDirectory()
Protein_feature_summary_uniport <- read.csv(paste0(as.character(paste0(folder1,collapse = " ")),"/Summary folder/Protein_feature_summary.csv"))
Expand Down Expand Up @@ -470,10 +470,10 @@ vendiagram<-function(){

fastafile_utils<-function(){

library(Biostrings)
library(cleaver)
library(protViz)
library(rcdk)
suppressMessages(suppressWarnings(require(Biostrings)))
suppressMessages(suppressWarnings(require(cleaver)))
suppressMessages(suppressWarnings(require(protViz)))
suppressMessages(suppressWarnings(require(rcdk)))

list_of_protein_sequence<-readAAStringSet(database,
format="fasta",
Expand Down Expand Up @@ -535,8 +535,8 @@ fastafile_utils<-function(){
}

convert_peptide_adduct<-function(peptide,adductsname,multiplier=c(1,1),adductslist=Build_adduct_list()){
library(rcdk)
library(OrgMassSpecR)
suppressMessages(suppressWarnings(require(rcdk)))
suppressMessages(suppressWarnings(require(OrgMassSpecR)))
ConvertPeptide<-function (sequence, output = "elements") {
peptideVector <- strsplit(sequence, split = "")[[1]]
if (output == "elements") {
Expand Down Expand Up @@ -696,10 +696,10 @@ convert_peptide_adduct<-function(peptide,adductsname,multiplier=c(1,1),adductsli


convert_peptide_fixmod<-function(mod.df,peptide_symbol,pep_sequence){
library(rcdk)
library(OrgMassSpecR)
library(stringr)
library(Biostrings)
suppressMessages(suppressWarnings(require(rcdk)))
suppressMessages(suppressWarnings(require(OrgMassSpecR)))
suppressMessages(suppressWarnings(require(stringr)))
suppressMessages(suppressWarnings(require(Biostrings)))



Expand Down Expand Up @@ -912,8 +912,8 @@ convert_peptide_fixmod<-function(mod.df,peptide_symbol,pep_sequence){
}

convert_peptide_adduct_list<-function(adductsname,peptide_symbol,multiplier=c(1,1),adductslist=Build_adduct_list()){
library(rcdk)
library(OrgMassSpecR)
suppressMessages(suppressWarnings(require(rcdk)))
suppressMessages(suppressWarnings(require(OrgMassSpecR)))
ConvertPeptide<-function (sequence, output = "elements") {
peptideVector <- strsplit(sequence, split = "")[[1]]
if (output == "elements") {
Expand Down Expand Up @@ -1257,8 +1257,8 @@ Peptide_Summary_para<- function(Proteins,peplist){
}

Peptide_modification<-function(retrive_ID=NULL,update_unimod=F){
library(protViz)
library(XML)
suppressMessages(suppressWarnings(require(protViz)))
suppressMessages(suppressWarnings(require(XML)))
if(!exists("unimod.df",envir = globalenv())){
#try(data("unimod.list",package = "HiTMaP"))

Expand Down
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