Mercurial > repos > tomnl > assess_purity_msms
comparison create_sqlite_db.R @ 25:7bff866f72b5 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 25e4ea47403332a6efd413d13a52511eb4ab5110-dirty
author | tomnl |
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date | Mon, 11 Jun 2018 07:49:38 -0400 |
parents | 1e4eee6b7b93 |
children |
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24:1e4eee6b7b93 | 25:7bff866f72b5 |
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5 print(sessionInfo()) | 5 print(sessionInfo()) |
6 print('CREATING DATABASE') | 6 print('CREATING DATABASE') |
7 | 7 |
8 | 8 |
9 xset_pa_filename_fix <- function(opt, pa, xset){ | 9 xset_pa_filename_fix <- function(opt, pa, xset){ |
10 | 10 print(xset@filepaths) |
11 | 11 |
12 if (!is.null(opt$mzML_files) && !is.null(opt$galaxy_names)){ | 12 if (!is.null(opt$mzML_files) && !is.null(opt$galaxy_names)){ |
13 # NOTE: Relies on the pa@fileList having the names of files given as 'names' of the variables | 13 # NOTE: Relies on the pa@fileList having the names of files given as 'names' of the variables |
14 # needs to be done due to Galaxy moving the files around and screwing up any links to files | 14 # needs to be done due to Galaxy moving the files around and screwing up any links to files |
15 | 15 |
38 }else{ | 38 }else{ |
39 xset@filepaths <- unname(pa@fileList) | 39 xset@filepaths <- unname(pa@fileList) |
40 } | 40 } |
41 } | 41 } |
42 | 42 |
43 | |
44 print(xset@phenoData) | |
45 print(xset@filepaths) | |
43 | 46 |
44 return(list(pa, xset)) | 47 return(list(pa, xset)) |
45 } | 48 } |
46 | 49 |
47 | 50 |
74 return(get(ls()[ls() == name])) | 77 return(get(ls()[ls() == name])) |
75 } | 78 } |
76 | 79 |
77 print(paste('pa', opt$pa)) | 80 print(paste('pa', opt$pa)) |
78 print(opt$xset) | 81 print(opt$xset) |
82 | |
79 print(opt$xcms_camera_option) | 83 print(opt$xcms_camera_option) |
80 # Requires | 84 # Requires |
81 pa <- loadRData(opt$pa, 'pa') | 85 pa <- loadRData(opt$pa, 'pa') |
82 | 86 |
83 | 87 |
109 grp_peaklist = opt$grp_peaklist | 113 grp_peaklist = opt$grp_peaklist |
110 } | 114 } |
111 | 115 |
112 | 116 |
113 | 117 |
114 | |
115 | |
116 db_pth <- msPurity::create_database(pa, xset=xset, xsa=xa, out_dir=opt$out_dir, | 118 db_pth <- msPurity::create_database(pa, xset=xset, xsa=xa, out_dir=opt$out_dir, |
117 grp_peaklist=grp_peaklist, db_name=opt$db_name) | 119 grp_peaklist=grp_peaklist, db_name=opt$db_name) |
118 | 120 |
119 print(db_pth) | 121 print(db_pth) |
120 | 122 |