Mercurial > repos > prog > lcmsmatching
comparison MsFileDb.R @ 4:1ba222315fd5 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 947b8707b06176a4801de64a71c8771617311ffb
| author | prog |
|---|---|
| date | Thu, 16 Mar 2017 05:05:55 -0400 |
| parents | 45e985cd8e9e |
| children | b8f70d8216b3 |
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| 3:abfba8eb1c8d | 4:1ba222315fd5 |
|---|---|
| 393 # Filter on columns | 393 # Filter on columns |
| 394 if ( ! is.null(col) && ! is.na(col)) | 394 if ( ! is.null(col) && ! is.na(col)) |
| 395 db <- db[db[[MSDB.TAG.COL]] %in% col,] | 395 db <- db[db[[MSDB.TAG.COL]] %in% col,] |
| 396 | 396 |
| 397 # Filter on retention time | 397 # Filter on retention time |
| 398 if ( ! is.null(rt.low) && ! is.na(rt.low) && ! is.null(rt.high) && ! is.na(rt.high)) | 398 if ( ! is.null(rt.low) && ! is.na(rt.low) && ! is.null(rt.high) && ! is.na(rt.high)) { |
| 399 db <- db[db[[MSDB.TAG.COLRT]] >= rt.low & db[[MSDB.TAG.COLRT]] <= rt.high, ] | 399 scale <- if (.self$.rt.unit == MSDB.RTUNIT.MIN) 60 else 1 |
| 400 db <- db[db[[MSDB.TAG.COLRT]] * scale >= rt.low & db[[MSDB.TAG.COLRT]] <= rt.high, ] | |
| 401 } | |
| 400 | 402 |
| 401 # Remove retention times and column information | 403 # Remove retention times and column information |
| 402 if (is.null(col) || is.na(col) || is.null(rt.low) || is.na(rt.low) || is.null(rt.high) || is.na(rt.high)) { | 404 if (is.null(col) || is.na(col) || is.null(rt.low) || is.na(rt.low) || is.null(rt.high) || is.na(rt.high)) { |
| 403 db <- db[, ! (colnames(db) %in% c(MSDB.TAG.COL, MSDB.TAG.COLRT))] | 405 db <- db[, ! (colnames(db) %in% c(MSDB.TAG.COL, MSDB.TAG.COLRT))] |
| 404 | 406 |
| 485 for (col in cols) { | 487 for (col in cols) { |
| 486 colrts <- db[db[[MSDB.TAG.COL]] %in% col, MSDB.TAG.COLRT] | 488 colrts <- db[db[[MSDB.TAG.COL]] %in% col, MSDB.TAG.COLRT] |
| 487 rt[col] <- list(colrts) | 489 rt[col] <- list(colrts) |
| 488 } | 490 } |
| 489 | 491 |
| 492 if (.self$.rt.unit == MSDB.RTUNIT.MIN) | |
| 493 rt <- 60 * rt | |
| 494 | |
| 490 return(rt) | 495 return(rt) |
| 491 }) | 496 }) |
| 492 | 497 |
| 493 } # end of load safe guard | 498 } # end of load safe guard |
