Mercurial > repos > prog > lcmsmatching
diff MsPeakForestDb.R @ 6:b8f70d8216b3 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit b3a4e34cf9356447ae3507cc6fe2ff6a1f24afbc-dirty
| author | prog |
|---|---|
| date | Mon, 27 Mar 2017 06:27:29 -0400 |
| parents | 18254e8d1b72 |
| children |
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--- a/MsPeakForestDb.R Thu Mar 16 08:15:11 2017 -0400 +++ b/MsPeakForestDb.R Mon Mar 27 06:27:29 2017 -0400 @@ -2,7 +2,7 @@ library(methods) source('MsDb.R') - source(file.path('UrlRequestScheduler.R')) + source('UrlRequestScheduler.R') ##################### # CLASS DECLARATION # @@ -47,7 +47,6 @@ # Add token if ( ! is.na(.self$.token)) params <- c(params, token = .self$.token) - param.str <- if (is.null(params)) '' else paste('?', vapply(names(params), function(p) paste(p, params[[p]], sep = '='), FUN.VALUE = ''), collapse = '&', sep = '') # Get URL content <- .self$.url.scheduler$getUrl(url = url, params = params) @@ -287,8 +286,9 @@ rt.res <- data.frame(MSDB.TAG.MOLID = character(), MSDB.TAG.COL = character(), MSDB.TAG.COLRT = numeric()) if (nrow(results) > 0) { + # Build URL for rt search - url <- paste0('spectra/lcms/range-rt-min/', rt.low, '/', rt.high) + url <- paste0('spectra/lcms/range-rt-min/', rt.low / 60, '/', rt.high / 60) params <- NULL if ( ! is.null(col)) params <- c(columns = paste(col, collapse = ',')) @@ -296,7 +296,6 @@ # Run query rtspectra <- .self$.get.url(url = url, params = params) - # Get compound/molecule IDs for (x in rtspectra) if (all(c('listOfCompounds', 'liquidChromatography') %in% names(x))) { @@ -308,7 +307,7 @@ colrt <- (rtmin + rtmax) / 2 rt.res <- rbind(rt.res, data.frame(MSDB.TAG.MOLID = molids, MSDB.TAG.COL = col, - MSDB.TAG.COLRT = colrt, + MSDB.TAG.COLRT = colrt * 60, stringsAsFactors = FALSE)) } }
