Mercurial > repos > tomnl > assess_purity_msms
comparison frag4feature.R @ 5:faba6cd56875 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 9ea2ca0892fa55c21491c93afba790e8d9427e01-dirty
author | tomnl |
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date | Wed, 04 Apr 2018 16:59:55 -0400 |
parents | 7e633c70fdfc |
children | 6c8c4452b8ea |
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4:7e633c70fdfc | 5:faba6cd56875 |
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63 opt<- parse_args(OptionParser(option_list=option_list)) | 63 opt<- parse_args(OptionParser(option_list=option_list)) |
64 | 64 |
65 loadRData <- function(rdata_path, name){ | 65 loadRData <- function(rdata_path, name){ |
66 #loads an RData file, and returns the named xset object if it is there | 66 #loads an RData file, and returns the named xset object if it is there |
67 load(rdata_path) | 67 load(rdata_path) |
68 return(get(ls()[ls() == name])) | 68 return(get(ls()[ls() %in% name])) |
69 } | |
70 | |
71 # This function retrieve a xset like object | |
72 #@author Gildas Le Corguille lecorguille@sb-roscoff.fr | |
73 getxcmsSetObject <- function(xobject) { | |
74 # XCMS 1.x | |
75 if (class(xobject) == "xcmsSet") | |
76 return (xobject) | |
77 # XCMS 3.x | |
78 if (class(xobject) == "XCMSnExp") { | |
79 # Get the legacy xcmsSet object | |
80 suppressWarnings(xset <- as(xobject, 'xcmsSet')) | |
81 sampclass(xset) <- xset@phenoData$sample_group | |
82 return (xset) | |
83 } | |
69 } | 84 } |
70 | 85 |
71 # Requires | 86 # Requires |
72 pa <- loadRData(opt$pa, 'pa') | 87 pa <- loadRData(opt$pa, 'pa') |
73 xset <- loadRData(opt$xset, 'xset') | 88 xset <- loadRData(opt$xset, c('xset','xdata')) |
89 xset <- getxcmsSetObject(xset) | |
74 | 90 |
75 pa@cores <- opt$cores | 91 pa@cores <- opt$cores |
76 | 92 |
77 print(pa@fileList) | 93 print(pa@fileList) |
78 print(xset@filepaths) | 94 print(xset@filepaths) |
100 pa <- fix[[1]] | 116 pa <- fix[[1]] |
101 xset <- fix[[2]] | 117 xset <- fix[[2]] |
102 | 118 |
103 if(is.null(opt$grp_peaklist)){ | 119 if(is.null(opt$grp_peaklist)){ |
104 grp_peaklist = NA | 120 grp_peaklist = NA |
105 | |
106 | |
107 }else{ | 121 }else{ |
108 grp_peaklist = opt$grp_peaklist | 122 grp_peaklist = opt$grp_peaklist |
109 } | 123 } |
110 | 124 |
111 print('heck') | 125 print('heck') |