opentox-client 0.0.2pre → 1.0.0pre1
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- data/.gitignore +2 -1
- data/ChangeLog +2 -0
- data/README.markdown +16 -1
- data/Rakefile +0 -10
- data/VERSION +1 -0
- data/bin/opentox-client-install +46 -0
- data/lib/authorization.rb +9 -7
- data/lib/compound.rb +40 -20
- data/lib/dataset.rb +126 -16
- data/lib/error.rb +41 -83
- data/lib/model.rb +3 -2
- data/lib/opentox-client.rb +17 -12
- data/lib/opentox.rb +122 -96
- data/lib/overwrite.rb +20 -3
- data/lib/policy.rb +17 -2
- data/lib/rest-client-wrapper.rb +24 -5
- data/lib/task.rb +36 -18
- data/opentox-client.gemspec +2 -1
- metadata +60 -38
- data/test/authorization.rb +0 -107
- data/test/compound.rb +0 -52
- data/test/data/CPDBAS_v5c_1547_29Apr2008part.sdf +0 -13553
- data/test/data/EPAFHM.csv +0 -618
- data/test/data/EPAFHM.mini.csv +0 -21
- data/test/data/ISSCAN-multi.csv +0 -59
- data/test/data/cpdb_100.csv +0 -101
- data/test/data/hamster_carcinogenicity.csv +0 -86
- data/test/data/hamster_carcinogenicity.mini.csv +0 -11
- data/test/data/hamster_carcinogenicity.sdf +0 -2805
- data/test/data/hamster_carcinogenicity.xls +0 -0
- data/test/data/hamster_carcinogenicity.yaml +0 -352
- data/test/data/hamster_carcinogenicity_with_errors.csv +0 -88
- data/test/data/kazius.csv +0 -4069
- data/test/data/multi_cell_call.csv +0 -1067
- data/test/data/multicolumn.csv +0 -5
- data/test/dataset.rb +0 -99
- data/test/error.rb +0 -35
- data/test/feature.rb +0 -36
- data/test/policy.rb +0 -120
- data/test/task.rb +0 -85
data/lib/model.rb
CHANGED
@@ -6,8 +6,9 @@ module OpenTox
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|
6
6
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# @param [Hash] params Parameters for OpenTox model
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7
7
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# @param [optional,OpenTox::Task] waiting_task (can be a OpenTox::Subtask as well), progress is updated accordingly
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8
8
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# @return [text/uri-list] Task or resource URI
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9
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-
def run params=nil
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10
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-
post params, {:
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9
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+
def run params=nil, wait=true
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10
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+
uri = RestClientWrapper.post @uri, params, { :content_type => "text/uri-list", :subjectid => @subjectid}
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11
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+
wait_for_task uri if wait
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11
12
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end
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12
13
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13
14
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end
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data/lib/opentox-client.rb
CHANGED
@@ -2,34 +2,39 @@ require 'rubygems'
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2
2
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require "bundler/setup"
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3
3
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require 'rdf'
|
4
4
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require 'rdf/raptor'
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5
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+
require 'rdf/n3'
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5
6
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require "rest-client"
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6
7
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require 'uri'
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7
8
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require 'yaml'
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8
9
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require 'json'
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require 'logger'
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11
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+
require "securerandom"
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10
12
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11
13
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# define constants and global variables
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14
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#TODO: switch services to 1.2
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15
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RDF::OT = RDF::Vocabulary.new 'http://www.opentox.org/api/1.2#'
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14
16
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RDF::OT1 = RDF::Vocabulary.new 'http://www.opentox.org/api/1.1#'
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15
17
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RDF::OTA = RDF::Vocabulary.new 'http://www.opentox.org/algorithmTypes.owl#'
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18
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+
RDF::OLO = RDF::Vocabulary.new 'http://purl.org/ontology/olo/core#'
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16
19
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|
17
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-
#CLASSES = ["Compound", "Feature", "Dataset", "Algorithm", "Model", "Validation", "Task", "ErrorReport", "Investigation"]
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18
20
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CLASSES = ["Generic", "Compound", "Feature", "Dataset", "Algorithm", "Model", "Validation", "Task", "Investigation"]
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19
21
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RDF_FORMATS = [:rdfxml,:ntriples,:turtle]
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20
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-
$default_rdf = "application/rdf+xml"
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21
22
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|
22
23
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# Regular expressions for parsing classification data
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23
24
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TRUE_REGEXP = /^(true|active|1|1.0|tox|activating|carcinogen|mutagenic)$/i
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FALSE_REGEXP = /^(false|inactive|0|0.0|low tox|deactivating|non-carcinogen|non-mutagenic)$/i
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-
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-
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-
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-
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-
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-
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33
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-
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34
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-
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35
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-
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27
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+
[
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+
"overwrite.rb",
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29
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"rest-client-wrapper.rb",
|
30
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+
"error.rb",
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31
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+
"authorization.rb",
|
32
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+
"policy.rb",
|
33
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+
"otlogger.rb",
|
34
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+
"opentox.rb",
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35
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+
"task.rb",
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36
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+
"compound.rb",
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37
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+
"dataset.rb",
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38
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+
"model.rb",
|
39
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+
].each{ |f| require File.join(File.dirname(__FILE__),f) }
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40
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+
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data/lib/opentox.rb
CHANGED
@@ -4,7 +4,7 @@ $logger.level = Logger::DEBUG
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4
4
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5
5
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module OpenTox
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6
6
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7
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-
attr_accessor :uri, :subjectid, :rdf
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7
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+
attr_accessor :uri, :subjectid, :rdf
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8
8
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9
9
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# Ruby interface
|
10
10
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@@ -13,134 +13,156 @@ module OpenTox
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# @param [optional,String] subjectid
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14
14
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# @return [OpenTox] OpenTox object
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15
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def initialize uri=nil, subjectid=nil
|
16
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-
@uri = uri.to_s.chomp
|
17
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-
@subjectid = subjectid
|
18
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-
@reload = true
|
19
16
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@rdf = RDF::Graph.new
|
17
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+
if uri
|
18
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+
@uri = uri.to_s.chomp
|
19
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+
else
|
20
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+
service = self.class.to_s.split('::').last.downcase
|
21
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+
service_uri = eval("$#{service}[:uri]")
|
22
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+
bad_request_error "$#{service}[:uri] variable not set. Please set $#{service}[:uri] or use an explicit uri as first constructor argument " unless service_uri
|
23
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+
@uri = File.join service_uri, SecureRandom.uuid
|
24
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+
end
|
25
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+
append RDF.type, eval("RDF::OT."+self.class.to_s.split('::').last)
|
26
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+
append RDF::DC.date, DateTime.now
|
27
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+
@subjectid = subjectid
|
20
28
|
end
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21
29
|
|
22
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-
#
|
23
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-
|
24
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-
# TODO generic method for all formats
|
25
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-
parse_rdfxml RestClientWrapper.get(@uri,{},{:accept => $default_rdf, :subjectid => @subjectid})
|
26
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-
end
|
27
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-
|
28
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-
# Get object metadata
|
29
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-
# @return [Hash] Metadata
|
30
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+
# Object metadata
|
31
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+
# @return [Hash] Object metadata
|
30
32
|
def metadata
|
31
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-
|
32
|
-
@rdf.to_hash[RDF::URI.new(@uri)]
|
33
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+
# return plain strings instead of RDF objects
|
34
|
+
@rdf.to_hash[RDF::URI.new(@uri)].inject({}) { |h, (predicate, values)| h[predicate.to_s] = values.collect{|v| v.to_s}; h }
|
33
35
|
end
|
34
36
|
|
35
|
-
#
|
36
|
-
# @param [
|
37
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-
# @return [Array]
|
38
|
-
def [](
|
39
|
-
|
40
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-
|
41
|
-
# TODO: convert to OpenTox objects??
|
42
|
-
return nil if result and result.empty?
|
43
|
-
return result.first.to_s if result.size == 1
|
44
|
-
return result.collect{|r| r.to_s}
|
45
|
-
result
|
37
|
+
# Metadata values
|
38
|
+
# @param [String] Predicate URI
|
39
|
+
# @return [Array, String] Predicate value(s)
|
40
|
+
def [](predicate)
|
41
|
+
return nil if metadata[predicate.to_s].nil?
|
42
|
+
metadata[predicate.to_s].size == 1 ? metadata[predicate.to_s].first : metadata[predicate.to_s]
|
46
43
|
end
|
47
44
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|
48
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-
#
|
49
|
-
|
50
|
-
|
51
|
-
|
45
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+
# Set object metadata
|
46
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+
# @param [String] Predicate URI
|
47
|
+
# @param [Array, String] Predicate value(s)
|
48
|
+
def []=(predicate,values)
|
49
|
+
@rdf.delete [RDF::URI.new(@uri.to_s),RDF::URI.new(predicate.to_s),nil]
|
50
|
+
append predicate.to_s, values
|
52
51
|
end
|
53
52
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|
54
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-
|
55
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-
|
56
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-
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-
|
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-
|
59
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-
|
60
|
-
|
61
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-
|
53
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+
def parameters
|
54
|
+
params = {}
|
55
|
+
query = RDF::Query.new({
|
56
|
+
:parameter => {
|
57
|
+
RDF.type => RDF::OT.Parameter,
|
58
|
+
:property => :value,
|
59
|
+
}
|
60
|
+
})
|
61
|
+
query.execute(@rdf).each do |solution|
|
62
|
+
params[solution.parameter] = {} unless params[solution.parameter]
|
63
|
+
params[solution.parameter][solution.property.to_s] = solution.value.to_s
|
62
64
|
end
|
65
|
+
params.values
|
66
|
+
end
|
63
67
|
|
64
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-
|
65
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-
|
66
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-
|
67
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-
|
68
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-
|
69
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-
rdf
|
68
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+
def parameters=(parameters)
|
69
|
+
parameters.each do |param|
|
70
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+
p_node = RDF::Node.new
|
71
|
+
@rdf << [RDF::URI.new(@uri), RDF::OT.parameters, p_node]
|
72
|
+
@rdf << [p_node, RDF.type, RDF::OT.Parameter]
|
73
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+
param.each{ |p,o| @rdf << [p_node, p, o] }
|
70
74
|
end
|
71
75
|
end
|
72
76
|
|
73
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-
|
74
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-
|
77
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+
# Append object metadata
|
78
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+
# @param [String] Predicate URI
|
79
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+
# @param [Array, String] Predicate value(s)
|
80
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+
def append(predicate,values)
|
81
|
+
uri = RDF::URI.new @uri
|
82
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+
predicate = RDF::URI.new predicate
|
83
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+
[values].flatten.each { |value| @rdf << [uri, predicate, value] }
|
75
84
|
end
|
76
85
|
|
77
|
-
|
78
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-
|
86
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+
# Get object from webservice
|
87
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+
def get mime_type="text/plain"
|
88
|
+
response = RestClientWrapper.get(@uri,{},{:accept => mime_type, :subjectid => @subjectid})
|
89
|
+
if URI.task?(response)
|
90
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+
wait_for_task response
|
91
|
+
response = RestClientWrapper.get(t.resultURI,{},{:accept => mime_type, :subjectid => @subjectid})
|
92
|
+
end
|
93
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+
parse_ntriples response if mime_type == "text/plain"
|
94
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+
parse_rdfxml response if mime_type == "application/rdf+xml"
|
79
95
|
end
|
80
96
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|
81
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-
#
|
82
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-
def
|
83
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-
|
84
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-
|
85
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-
|
97
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+
# Post object to webservice
|
98
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+
def post service_uri, wait=true
|
99
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+
# TODO: RDFXML
|
100
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+
uri = RestClientWrapper.post service_uri, to_ntriples, { :content_type => "text/plain", :subjectid => @subjectid}
|
101
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+
wait_for_task uri if wait
|
86
102
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end
|
87
103
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|
88
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-
|
89
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-
|
90
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-
|
91
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-
|
104
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+
# Save object at webservice
|
105
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+
def put wait=true
|
106
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+
# TODO: RDFXML
|
107
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+
append RDF::DC.modified, DateTime.now
|
108
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+
uri = RestClientWrapper.put @uri.to_s, self.to_ntriples, { :content_type => "text/plain", :subjectid => @subjectid}
|
109
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+
wait_for_task uri if wait
|
92
110
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end
|
93
111
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|
94
|
-
|
95
|
-
|
96
|
-
|
97
|
-
@response = RestClientWrapper.put(@uri.to_s, payload, headers)
|
112
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+
# Delete object at webservice
|
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+
def delete
|
114
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+
RestClientWrapper.delete(@uri.to_s,nil,{:subjectid => @subjectid})
|
98
115
|
end
|
99
116
|
|
100
|
-
def
|
101
|
-
|
102
|
-
|
117
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+
def wait_for_task uri
|
118
|
+
if URI.task?(uri)
|
119
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+
t = OpenTox::Task.new uri
|
120
|
+
t.wait
|
121
|
+
unless t.completed?
|
122
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+
#TODO raise correct error
|
123
|
+
#internal_server_error "Task #{uri} failed with #{$!.inspect}"
|
124
|
+
end
|
125
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+
uri = t.resultURI
|
126
|
+
end
|
127
|
+
uri
|
103
128
|
end
|
104
129
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|
105
|
-
|
106
|
-
module ClassMethods
|
130
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+
RDF_FORMATS.each do |format|
|
107
131
|
|
108
|
-
|
109
|
-
|
110
|
-
|
132
|
+
# rdf parse methods for all formats e.g. parse_rdfxml
|
133
|
+
send :define_method, "parse_#{format}".to_sym do |rdf|
|
134
|
+
@rdf = RDF::Graph.new
|
135
|
+
RDF::Reader.for(format).new(rdf) do |reader|
|
136
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+
reader.each_statement{ |statement| @rdf << statement }
|
137
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+
end
|
111
138
|
end
|
112
139
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|
113
|
-
|
114
|
-
|
115
|
-
|
140
|
+
# rdf serialization methods for all formats e.g. to_rdfxml
|
141
|
+
send :define_method, "to_#{format}".to_sym do
|
142
|
+
RDF::Writer.for(format).buffer do |writer|
|
143
|
+
@rdf.each{|statement| writer << statement}
|
144
|
+
end
|
116
145
|
end
|
146
|
+
end
|
117
147
|
|
118
|
-
|
119
|
-
|
120
|
-
|
148
|
+
def to_turtle # redefine to use prefixes (not supported by RDF::Writer)
|
149
|
+
prefixes = {:rdf => "http://www.w3.org/1999/02/22-rdf-syntax-ns#"}
|
150
|
+
['OT', 'DC', 'XSD', 'OLO'].each{|p| prefixes[p.downcase.to_sym] = eval("RDF::#{p}.to_s") }
|
151
|
+
RDF::N3::Writer.for(:turtle).buffer(:prefixes => prefixes) do |writer|
|
152
|
+
@rdf.each{|statement| writer << statement}
|
121
153
|
end
|
154
|
+
end
|
122
155
|
|
123
|
-
|
124
|
-
|
125
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-
|
126
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-
|
127
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-
|
128
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-
|
129
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-
|
130
|
-
|
131
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-
|
132
|
-
|
133
|
-
|
134
|
-
# guess class from uri, this is potentially unsafe, but polling metadata from large uri lists is way too slow (and not all service provide RDF.type in their metadata)
|
135
|
-
result = CLASSES.collect{|s| s if uri =~ /#{s.downcase}/}.compact
|
136
|
-
if result.size == 1
|
137
|
-
klass = result.first
|
138
|
-
else
|
139
|
-
klass = OpenTox::Generic.new(uri)[RDF.type]
|
140
|
-
internal_server_error "Cannot determine class from URI '#{uri} (Candidate classes are #{result.inspect}) or matadata." unless klass
|
141
|
-
end
|
142
|
-
# initialize with/without subjectid
|
143
|
-
subjectid ? eval("#{self}.new(\"#{uri}\", \"#{subjectid}\")") : eval("#{self}.new(\"#{uri}\")")
|
156
|
+
{
|
157
|
+
:title => RDF::DC.title,
|
158
|
+
:dexcription => RDF::DC.description,
|
159
|
+
:type => RDF.type
|
160
|
+
}.each do |method,predicate|
|
161
|
+
send :define_method, method do
|
162
|
+
self.[](predicate)
|
163
|
+
end
|
164
|
+
send :define_method, "#{method}=" do |value|
|
165
|
+
self.[]=(predicate,value)
|
144
166
|
end
|
145
167
|
end
|
146
168
|
|
@@ -148,7 +170,11 @@ module OpenTox
|
|
148
170
|
CLASSES.each do |klass|
|
149
171
|
c = Class.new do
|
150
172
|
include OpenTox
|
151
|
-
|
173
|
+
|
174
|
+
def self.all service_uri, subjectid=nil
|
175
|
+
uris = RestClientWrapper.get(service_uri, {}, :accept => 'text/uri-list').split("\n").compact
|
176
|
+
uris.collect{|uri| self.new(uri, subjectid)}
|
177
|
+
end
|
152
178
|
end
|
153
179
|
OpenTox.const_set klass,c
|
154
180
|
end
|
data/lib/overwrite.rb
CHANGED
@@ -1,3 +1,21 @@
|
|
1
|
+
class Object
|
2
|
+
# An object is blank if it's false, empty, or a whitespace string.
|
3
|
+
# For example, "", " ", +nil+, [], and {} are all blank.
|
4
|
+
def blank?
|
5
|
+
respond_to?(:empty?) ? empty? : !self
|
6
|
+
end
|
7
|
+
|
8
|
+
def numeric?
|
9
|
+
true if Float(self) rescue false
|
10
|
+
end
|
11
|
+
end
|
12
|
+
|
13
|
+
module Enumerable
|
14
|
+
def duplicates
|
15
|
+
inject({}) {|h,v| h[v]=h[v].to_i+1; h}.reject{|k,v| v==1}.keys
|
16
|
+
end
|
17
|
+
end
|
18
|
+
|
1
19
|
class String
|
2
20
|
def underscore
|
3
21
|
self.gsub(/::/, '/').
|
@@ -68,11 +86,10 @@ module Kernel
|
|
68
86
|
stdout = stdout_stream.read
|
69
87
|
stderr = stderr_stream.read
|
70
88
|
end
|
71
|
-
internal_server_error "`" + cmd + "` failed.\n" + stdout + stderr
|
89
|
+
internal_server_error "`" + cmd + "` failed.\n" + stdout + stderr unless status.success?
|
72
90
|
return stdout
|
73
91
|
rescue
|
74
|
-
internal_server_error $!.message
|
92
|
+
internal_server_error $!.message
|
75
93
|
end
|
76
94
|
|
77
95
|
end
|
78
|
-
|
data/lib/policy.rb
CHANGED
@@ -58,7 +58,7 @@ module OpenTox
|
|
58
58
|
when "guest", "anonymous" then "default_guest_policy"
|
59
59
|
else "default_policy"
|
60
60
|
end
|
61
|
-
xml =
|
61
|
+
xml = get_xml_template(template)
|
62
62
|
self.load_xml(xml)
|
63
63
|
datestring = Time.now.strftime("%Y-%m-%d-%H-%M-%S-x") + rand(1000).to_s
|
64
64
|
|
@@ -78,6 +78,10 @@ module OpenTox
|
|
78
78
|
return true
|
79
79
|
end
|
80
80
|
|
81
|
+
def get_xml_template(template)
|
82
|
+
File.read(File.join(File.dirname(__FILE__), "templates/#{template}.xml"))
|
83
|
+
end
|
84
|
+
|
81
85
|
#loads a xml template
|
82
86
|
def load_xml(xml)
|
83
87
|
rexml = REXML::Document.new(xml)
|
@@ -247,19 +251,22 @@ module OpenTox
|
|
247
251
|
end
|
248
252
|
|
249
253
|
# helper method sets value and type to opentox LDAP Distinguished Name (DN) of a user
|
254
|
+
# @param [String]Username set a username into LDAP DN
|
250
255
|
def set_ot_user(username)
|
251
256
|
self.value = "uid=#{username},ou=people,dc=opentox,dc=org"
|
252
257
|
self.type = "LDAPUsers"
|
253
258
|
true
|
254
259
|
end
|
255
260
|
|
261
|
+
# @param [String]Username set a groupname into LDAP DN
|
256
262
|
def set_ot_group(groupname)
|
257
263
|
self.value = "cn=#{groupname},ou=groups,dc=opentox,dc=org"
|
258
264
|
self.type = "LDAPGroups"
|
259
265
|
true
|
260
266
|
end
|
261
267
|
|
262
|
-
#
|
268
|
+
# policyrule
|
269
|
+
# sets the permission for REST actions (GET, POST, PUT, DELETE) of a specific URI to allow/deny/nil
|
263
270
|
class Rule
|
264
271
|
|
265
272
|
attr_accessor :name, :uri, :get, :post, :put, :delete, :read, :readwrite
|
@@ -293,14 +300,18 @@ module OpenTox
|
|
293
300
|
@put = check_value(value, @put)
|
294
301
|
end
|
295
302
|
|
303
|
+
# read getter method
|
296
304
|
def read
|
297
305
|
return true if @get == "allow" && (@put == "deny" || !@put) && (@post == "deny" || !@post)
|
298
306
|
end
|
299
307
|
|
308
|
+
# readwrite getter method
|
300
309
|
def readwrite
|
301
310
|
return true if @get == "allow" && @put == "allow" && @post == "allow"
|
302
311
|
end
|
303
312
|
|
313
|
+
# Set(true case) or remove read(GET=allow) permissions.
|
314
|
+
# @param [Boolean]value (true,false)
|
304
315
|
def read=(value)
|
305
316
|
if value
|
306
317
|
@get = "allow"; @put = nil; @post = nil
|
@@ -309,6 +320,8 @@ module OpenTox
|
|
309
320
|
end
|
310
321
|
end
|
311
322
|
|
323
|
+
# Set(true case) or remove readwrite(GET=allow,POST=allow,PUT=allow) permissions.
|
324
|
+
# @param [Boolean]value (true,false)
|
312
325
|
def readwrite=(value)
|
313
326
|
if value
|
314
327
|
@get = "allow"; @put = "allow"; @post = "allow"
|
@@ -324,6 +337,8 @@ module OpenTox
|
|
324
337
|
end
|
325
338
|
end
|
326
339
|
|
340
|
+
# Subject of a policy
|
341
|
+
# name(subjectname), type('LDAPUsers' or 'LDAPGroups'), value(LDAP DN e.G.:'uid=guest,ou=people,dc=opentox,dc=org')
|
327
342
|
class Subject
|
328
343
|
|
329
344
|
attr_accessor :name, :type, :value
|