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Add COPYRIGHT optional column for infolist, addressing #343
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Michele Stravs committed Jul 27, 2023
1 parent 566d043 commit df07fdc
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions R/createMassBank.R
Original file line number Diff line number Diff line change
Expand Up @@ -130,13 +130,14 @@ resetInfolists <- function(mb)
CH.LINK.HMDB = character(0), CH.LINK.KEGG = character(0), CH.LINK.LIPIDMAPS = character(0),
CH.LINK.PUBCHEM = character(0), CH.LINK.INCHIKEY = character(0),
CH.LINK.CHEMSPIDER = integer(0), CH.LINK.COMPTOX = character(0),
AUTHORS = character(0)
AUTHORS = character(0), COPYRIGHT = character(0)
), .Names = c("X", "id", "dbcas",
"dbname", "dataused", "COMMENT.CONFIDENCE", "COMMENT.ID",
"CH.NAME1", "CH.NAME2", "CH.NAME3", "CH.NAME4", "CH.NAME5", "CH.COMPOUND_CLASS", "CH.FORMULA",
"CH.EXACT_MASS", "CH.SMILES", "CH.IUPAC", "CH.LINK.CAS", "CH.LINK.CHEBI",
"CH.LINK.HMDB", "CH.LINK.KEGG", "CH.LINK.LIPIDMAPS", "CH.LINK.PUBCHEM",
"CH.LINK.INCHIKEY", "CH.LINK.CHEMSPIDER", "CH.LINK.COMPTOX", "AUTHORS"), row.names = integer(0), class = "data.frame")
"CH.LINK.INCHIKEY", "CH.LINK.CHEMSPIDER", "CH.LINK.COMPTOX",
"AUTHORS", "COPYRIGHT"), row.names = integer(0), class = "data.frame")
if(getOption("RMassBank")$include_sp_tags)
{
mb@mbdata_archive["SP.SAMPLE"] <- character(0)
Expand Down Expand Up @@ -1270,6 +1271,9 @@ readMbdata <- function(row)

if(!is.na(row[["AUTHORS"]]))
mbdata[["AUTHORS"]] = row[["AUTHORS"]]

if(!is.na(row[["COPYRIGHT"]]))
mbdata[["COPYRIGHT"]] = row[["COPYRIGHT"]]



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