summaryrefslogtreecommitdiff
path: root/dataset.rb
blob: 00872b975cea5e319fc4b8b52dced5273d54636c (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
class Dataset

	#include OpenTox::Utils
	attr_reader :uri, :name

	def initialize(uri)
		@name = File.basename(uri)
		@uri = uri
	end

	def self.create(uri)
		dataset = Dataset.new(uri)
		dataset.save
		dataset
	end

	def self.find(uri)
		if @@redis.set_member? "datasets", uri
			Dataset.new(uri)
		else
			nil
		end
	end

	def self.exists?(uri)
		@@redis.set_member? "datasets", uri
	end

	def self.find_all
		@@redis.set_members("datasets")
	end

	def save
		@@redis.set_add "datasets", @uri
	end

	def destroy
		@@redis.set_members(@uri + '::compounds').each do |compound_uri|
			@@redis.delete @uri + '::' + compound_uri
		end
		@@redis.delete @uri + '::compounds'
		@@redis.set_members(@uri + '::features').each do |feature_uri|
			@@redis.delete @uri + '::' + feature_uri
		end
		@@redis.delete @uri + '::features'
		@@redis.set_delete "datasets", @uri
	end

	def add(compound_uri,feature_uri)
		@@redis.set_add @uri + '::compounds', compound_uri
		@@redis.set_add @uri + '::features', feature_uri
		@@redis.set_add @uri + '::' + compound_uri + '::features', feature_uri
		@@redis.set_add @uri + '::' + feature_uri + '::compounds', compound_uri
	end

	def compound_uris
		@@redis.set_members(@uri + "::compounds")
	end

	def feature_uris
		@@redis.set_members(@uri + "::features")
	end

	def feature_uris_for_compound(compound_uri)
		@@redis.set_members(@uri + '::' + compound_uri + '::features')
	end
	 
	def compound_uris_for_feature(feature_uri)
		@@redis.set_members(@uri + '::' + feature_uri + '::compounds')
	end

	def self.tanimoto(features)
		raise "Exactly 2 compounds are needed for similarity calculations" unless features.size == 2
		compound_keys = features.collect{ |f| f[:dataset_uri] + '::' + f[:compound_uri] + "::features" }
		union_size = @@redis.set_union(compound_keys[0], compound_keys[1]).size
		intersect_size = @@redis.set_intersect(compound_keys[0], compound_keys[1]).size
		intersect_size.to_f/union_size.to_f
	end

	def self.weighted_tanimoto(features)
		raise "Exactly 2 compounds are needed for similarity calculations" unless features.size == 2
		compound_keys = features.collect{ |f| f[:dataset_uri] + '::' + f[:compound_uri] + "::features" }
		union = @@redis.set_union(compound_keys[0], compound_keys[1])
		intersect = @@redis.set_intersect(compound_keys[0], compound_keys[1])

		p_sum_union = 0.0
		p_sum_intersect = 0.0

		union.each{ |f| p_sum_union += OpenTox::Utils::gauss(OpenTox::Feature.new(:uri => f).value('p_value').to_f) }
		intersect.each{ |f| p_sum_intersect += OpenTox::Utils::gauss(OpenTox::Feature.new(:uri => f).value('p_value').to_f) }
		"#{p_sum_intersect/p_sum_union}"
	end

end

class Set

	attr_accessor :uri, :set_uris

	def initialize(uri, set_uris)
		@uri = uri
		@set_uris = set_uris
	end

	def self.create(uri, set_uris)
		collection = DatasetCollection.new(uri, set_uris)
		collection.save
		collection
	end

	def self.find(uri)
		if @@redis.set_member? "collections", uri
			set_uris = @@redis.set_members uri
			DatasetCollection.new(uri, set_uris)
		else
			nil
		end
	end

	def self.exists?(uri)
		@@redis.set_member? "collections", uri
	end

	def self.find_all
		@@redis.set_members("collections").collect{ |uri| self.find(uri) }
	end

	def save
		@@redis.set_add "collections", @uri
		@set_uris.each do |uri|
			@@redis.set_add @uri + '::sets', uri
		end
	end

	def destroy
		@set_uris.each do |uri|
			Dataset.new(uri).destroy
		end
		@@redis.delete @uri + '::sets'
		@@redis.set_delete "collections", @uri
	end

	def add(set_uri)
		@set_uris << set_uri
		@@redis.set_add @uri, set_uri
	end

end