From 94380d9da5df6b74dbb921beaa79c41a73c9d282 Mon Sep 17 00:00:00 2001
From: Michele Stravs <stravsmi@eawag.ch>
Date: Thu, 21 Jan 2016 14:52:08 +0100
Subject: [PATCH] fix: the ID read from the compiled record is not numeric
---
R/createMassBank.R | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/R/createMassBank.R b/R/createMassBank.R
index 1c5f6bd..e6154a2 100755
--- a/R/createMassBank.R
+++ b/R/createMassBank.R
@@ -258,7 +258,7 @@ mbWorkflow <- function(mb, steps=c(1,2,3,4,5,6,7,8), infolist_path="./infolist.c
if(6 %in% steps)
{
message("mbWorkflow: Step 6. Generate molfiles")
- mb@molfile <- lapply(mb@compiled_ok, function(c) createMolfile(c[[1]][['COMMENT']][[getOption("RMassBank")$annotations$internal_id_fieldname]]))
+ mb@molfile <- lapply(mb@compiled_ok, function(c) createMolfile(as.numeric(c[[1]][['COMMENT']][[getOption("RMassBank")$annotations$internal_id_fieldname]])))
}
# Step 7: If necessary, generate the appropriate subdirectories, and actually write
# the files to disk.
--
GitLab