comparison MsDb.R @ 6:b8f70d8216b3 draft

planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit b3a4e34cf9356447ae3507cc6fe2ff6a1f24afbc-dirty

5:18254e8d1b72

		if ( ! unit %in% MSDB.RTUNIT.VALS)
			stop(paste0("RT unit must be one of: ", paste(MSDB.RTUNIT.VALS, collapse = ', '), "."))

		.rt.unit <<- unit
	})

	####################
	# HANDLE COMPOUNDS #
	####################

#
#				# Put back unfound peaks
#				peaks <- rbind(peaks, peaks.na)
#
#				# Sort
#				print(colnames(peaks))
#				print(x.colnames)
#				peaks <- peaks[order(peaks[[x.colnames$mz]], peaks[[x.colnames$rt]], peaks[[MSDB.TAG.MOLID]], peaks[[MSDB.TAG.COL]]), ]
#
#				# Remove rownames
#				rownames(peaks) <- NULL
#

6:b8f70d8216b3

		if ( ! unit %in% MSDB.RTUNIT.VALS)
			stop(paste0("RT unit must be one of: ", paste(MSDB.RTUNIT.VALS, collapse = ', '), "."))

		.rt.unit <<- unit
	})

	###############
	# GET RT UNIT #
	###############

	MsDb$methods( getRtUnit = function(unit) {
		return(.self$.rt.unit)
	})

	####################
	# HANDLE COMPOUNDS #
	####################

#
#				# Put back unfound peaks
#				peaks <- rbind(peaks, peaks.na)
#
#				# Sort
#				peaks <- peaks[order(peaks[[x.colnames$mz]], peaks[[x.colnames$rt]], peaks[[MSDB.TAG.MOLID]], peaks[[MSDB.TAG.COL]]), ]
#
#				# Remove rownames
#				rownames(peaks) <- NULL
#