Mercurial > repos > prog > lcmsmatching
annotate ChemSpiderConn.R @ 0:e66bb061af06 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
| author | prog | 
|---|---|
| date | Tue, 12 Jul 2016 12:02:37 -0400 | 
| parents | |
| children | 253d531a0193 | 
| rev | line source | 
|---|---|
| 0 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 1 if ( ! exists('ChemspiderConn')) { # Do not load again if already loaded | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 2 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 3 source('BiodbConn.R') | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 4 source('ChemspiderCompound.R') | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 5 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 6 ##################### | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 7 # CLASS DECLARATION # | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 8 ##################### | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 9 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 10 ChemspiderConn <- setRefClass("ChemspiderConn", contains = "BiodbConn") | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 11 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 12 ########################## | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 13 # GET ENTRY CONTENT TYPE # | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 14 ########################## | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 15 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 16 ChemspiderConn$methods( getEntryContentType = function(type) { | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 17 return(RBIODB.HTML) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 18 }) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 19 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 20 ##################### | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 21 # GET ENTRY CONTENT # | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 22 ##################### | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 23 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 24 ChemspiderConn$methods( getEntryContent = function(type, id) { | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 25 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 26 if (type == RBIODB.COMPOUND) { | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 27 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 28 # Initialize return values | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 29 content <- rep(NA_character_, length(id)) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 30 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 31 # Request | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 32 content <- vapply(id, function(x) .self$.scheduler$getUrl(get.entry.url(RBIODB.CHEMSPIDER, x)), FUN.VALUE = '') | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 33 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 34 return(content) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 35 } | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 36 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 37 return(NULL) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 38 }) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 39 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 40 ################ | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 41 # CREATE ENTRY # | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 42 ################ | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 43 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 44 ChemspiderConn$methods( createEntry = function(type, content, drop = TRUE) { | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 45 return(if (type == RBIODB.COMPOUND) createChemspiderCompoundFromHtml(content, drop = drop) else NULL) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 46 }) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 47 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 48 ############################ | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 49 # GET CHEMSPIDER IMAGE URL # | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 50 ############################ | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 51 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 52 get.chemspider.image.url <- function(id) { | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 53 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 54 url <- paste0('http://www.chemspider.com/ImagesHandler.ashx?w=300&h=300&id=', id) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 55 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 56 return(url) | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 57 } | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 58 | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 59 } # end of load safe guard | 
| 
e66bb061af06
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
 prog parents: diff
changeset | 60 | 
