Mercurial > repos > prog > lcmsmatching
annotate MassdbConn.R @ 1:253d531a0193 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
author | prog |
---|---|
date | Sat, 03 Sep 2016 17:02:01 -0400 |
parents | |
children | 20d69a062da3 |
rev | line source |
---|---|
1
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
1 if ( ! exists('MassdbConn')) { |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
2 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
3 source('BiodbConn.R') |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
4 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
5 ##################### |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
6 # CLASS DECLARATION # |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
7 ##################### |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
8 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
9 MassdbConn <- setRefClass("MassdbConn", contains = "BiodbConn") |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
10 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
11 ############################### |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
12 # GET CHROMATOGRAPHIC COLUMNS # |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
13 ############################### |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
14 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
15 # Get a list of chromatographic columns contained in this database. |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
16 # compound.ids A list of compound IDs used to filter results. |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
17 # The returned value is a data.frame with two columns : one for the ID (BIODB.ID) and another one for the title (BIODB.TITLE). |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
18 MassdbConn$methods( getChromCol = function(compound.ids = NULL) { |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
19 stop("Method getChromCol() is not implemented in concrete class.") |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
20 }) |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
21 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
22 ################# |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
23 # GET MZ VALUES # |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
24 ################# |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
25 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
26 # Returns a numeric vector of all masses stored inside the database. |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
27 MassdbConn$methods( getMzValues = function(mode = NULL, max.results = NA_integer_) { |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
28 stop("Method getMzValues() not implemented in concrete class.") |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
29 }) |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
30 |
253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
|
31 } |