Mercurial > repos > prog > lcmsmatching
comparison MassbankConn.R @ 6:f86fec07f392 draft default tip
planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
author | prog |
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date | Fri, 22 Feb 2019 16:04:22 -0500 |
parents | fb9c0409d85c |
children |
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5:fb9c0409d85c | 6:f86fec07f392 |
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1 ##################### | |
2 # CLASS DECLARATION # | |
3 ##################### | |
4 | |
5 MassbankConn <- methods::setRefClass("MassbankConn", contains = c("RemotedbConn", "MassdbConn"), fields = list( .url = "character" )) | |
6 | |
7 ############### | |
8 # CONSTRUCTOR # | |
9 ############### | |
10 | |
11 MassbankConn$methods( initialize = function(url = NA_character_, ...) { | |
12 | |
13 # Set URL | |
14 .url <<- if (is.null(url) || is.na(url)) BIODB.MASSBANK.EU.WS.URL else url | |
15 | |
16 callSuper(...) | |
17 }) | |
18 | |
19 ########################## | |
20 # GET ENTRY CONTENT TYPE # | |
21 ########################## | |
22 | |
23 MassbankConn$methods( getEntryContentType = function() { | |
24 return(BIODB.TXT) | |
25 }) | |
26 | |
27 ##################### | |
28 # GET ENTRY CONTENT # | |
29 ##################### | |
30 | |
31 MassbankConn$methods( getEntryContent = function(ids) { | |
32 | |
33 # Debug | |
34 .self$.print.debug.msg(paste0("Get entry content(s) for ", length(ids)," id(s)...")) | |
35 | |
36 URL.MAX.LENGTH <- 2083 | |
37 | |
38 # Initialize return values | |
39 content <- rep(NA_character_, length(ids)) | |
40 | |
41 # Loop on all | |
42 n <- 0 | |
43 while (n < length(ids)) { | |
44 | |
45 # Get list of accession ids to retrieve | |
46 accessions <- ids[(n + 1):length(ids)] | |
47 | |
48 # Create URL request | |
49 x <- get.entry.url(class = BIODB.MASSBANK, accession = accessions, content.type = BIODB.TXT, max.length = URL.MAX.LENGTH, base.url = .self$.url) | |
50 | |
51 # Debug | |
52 .self$.print.debug.msg(paste0("Send URL request for ", x$n," id(s)...")) | |
53 | |
54 # Send request | |
55 xmlstr <- .self$.get.url(x$url) | |
56 | |
57 # Increase number of entries retrieved | |
58 n <- n + x$n | |
59 | |
60 # Parse XML and get text | |
61 if ( ! is.na(xmlstr)) { | |
62 xml <- xmlInternalTreeParse(xmlstr, asText = TRUE) | |
63 ns <- c(ax21 = "http://api.massbank/xsd") | |
64 returned.ids <- xpathSApply(xml, "//ax21:id", xmlValue, namespaces = ns) | |
65 if (length(returned.ids) > 0) | |
66 content[match(returned.ids, ids)] <- xpathSApply(xml, "//ax21:info", xmlValue, namespaces = ns) | |
67 } | |
68 | |
69 # Debug | |
70 .self$.print.debug.msg(paste0("Now ", length(ids) - n," id(s) left to be retrieved...")) | |
71 } | |
72 | |
73 return(content) | |
74 }) | |
75 | |
76 ################ | |
77 # CREATE ENTRY # | |
78 ################ | |
79 | |
80 # Creates a Spectrum instance from file content. | |
81 # content A file content, downloaded from the public database. | |
82 # RETURN A spectrum instance. | |
83 MassbankConn$methods( createEntry = function(content, drop = TRUE) { | |
84 return(createMassbankEntryFromTxt(content, drop = drop)) | |
85 }) | |
86 | |
87 ################# | |
88 # GET MZ VALUES # | |
89 ################# | |
90 | |
91 MassbankConn$methods( getMzValues = function(mode = NULL, max.results = NA_integer_) { | |
92 }) | |
93 | |
94 ################# | |
95 # GET ENTRY IDS # | |
96 ################# | |
97 | |
98 MassbankConn$methods( getEntryIds = function(max.results = NA_integer_) { | |
99 | |
100 # Set URL | |
101 url <- paste0(.self$.url, 'searchPeak?mzs=1000&relativeIntensity=100&tolerance=1000&instrumentTypes=all&ionMode=Both') | |
102 url <- paste0(url, '&maxNumResults=', (if (is.na(max.results)) 0 else max.results)) | |
103 | |
104 # Send request | |
105 xmlstr <- .self$.get.url(url) | |
106 | |
107 # Parse XML and get text | |
108 if ( ! is.na(xmlstr)) { | |
109 xml <- xmlInternalTreeParse(xmlstr, asText = TRUE) | |
110 ns <- c(ax21 = "http://api.massbank/xsd") | |
111 returned.ids <- xpathSApply(xml, "//ax21:id", xmlValue, namespaces = ns) | |
112 return(returned.ids) | |
113 } | |
114 }) | |
115 | |
116 ################## | |
117 # GET NB ENTRIES # | |
118 ################## | |
119 | |
120 MassbankConn$methods( getNbEntries = function() { | |
121 return(length(.self$getEntryIds())) | |
122 }) |