mspire 0.8.0 → 0.8.1
Sign up to get free protection for your applications and to get access to all the features.
- data/README.md +60 -0
- data/Rakefile +16 -4
- data/VERSION +1 -1
- data/lib/mspire/imzml/writer/commandline.rb +1 -1
- data/lib/mspire/imzml/writer.rb +20 -1
- data/lib/mspire/mzml/cv.rb +3 -4
- data/obo/ims.obo +2 -4
- data/obo/ms.obo +708 -56
- data/obo/unit.obo +1 -1
- data/spec/mspire/imzml/writer_spec.rb +30 -0
- data/spec/testfiles/mspire/mzml/1_BB7_SIM_478.5.CHECK.ibd +0 -0
- data/spec/testfiles/mspire/mzml/1_BB7_SIM_478.5.CHECK.imzML +3975 -0
- data/spec/testfiles/mspire/mzml/mspire_simulated.MSn.check.mzML +2 -2
- metadata +6 -4
- data/README.rdoc +0 -24
data/obo/unit.obo
CHANGED
@@ -332,7 +332,7 @@ created_by: george gkoutos
|
|
332
332
|
[Term]
|
333
333
|
id: UO:0000035
|
334
334
|
name: month
|
335
|
-
def: "A time unit which is approximately equal to the length of time of one of cycle of the moon's phases which
|
335
|
+
def: "A time unit which is approximately equal to the length of time of one of cycle of the moon's phases which in science is taken to be equal to 30 days." [Wikipedia:Wikipedia "http://www.wikipedia.org/"]
|
336
336
|
subset: unit_slim
|
337
337
|
is_a: UO:0000003 ! time unit
|
338
338
|
created_by: george gkoutos
|
@@ -1,6 +1,7 @@
|
|
1
1
|
require 'spec_helper'
|
2
2
|
|
3
3
|
require 'mspire/imzml/writer'
|
4
|
+
require 'mspire/imzml/writer/commandline'
|
4
5
|
require 'mspire/spectrum'
|
5
6
|
|
6
7
|
describe Mspire::Imzml::Writer do
|
@@ -97,5 +98,34 @@ describe Mspire::Imzml::Writer do
|
|
97
98
|
File.unlink(write_to) if File.exist?(write_to)
|
98
99
|
end
|
99
100
|
|
101
|
+
describe 'full conversion of a file' do
|
102
|
+
|
103
|
+
before do
|
104
|
+
@file = TESTFILES + "/mspire/mzml/1_BB7_SIM_478.5.mzML"
|
105
|
+
end
|
106
|
+
|
107
|
+
# reads file and removes parts that change run to run
|
108
|
+
def sanitize(file)
|
109
|
+
reject = ['xmlns="http://psi.hupo.org/ms/mzml', 'universally unique identifier', 'ibd SHA-1']
|
110
|
+
IO.readlines(file).reject do |line|
|
111
|
+
reject.any? {|fragment| line.include?(fragment) }
|
112
|
+
end.join
|
113
|
+
end
|
114
|
+
|
115
|
+
it 'converts sim files' do
|
116
|
+
Mspire::Imzml::Writer::Commandline.run([@file, @file, "--max-dimensions-microns", "72x2", "--max-dimensions-pixels", "72x2"])
|
117
|
+
# checking ibd is hard, reserved for above specs
|
118
|
+
imzml_check = TESTFILES + "/mspire/mzml/1_BB7_SIM_478.5.CHECK.imzML"
|
119
|
+
ibd_check = TESTFILES + "/mspire/mzml/1_BB7_SIM_478.5.CHECK.ibd"
|
120
|
+
# really just frozen for now until I inspect it more critically
|
121
|
+
imzml = imzml_check.sub('.CHECK','')
|
122
|
+
ibd = ibd_check.sub('.CHECK','')
|
123
|
+
File.exist?(ibd).should be_true
|
124
|
+
File.exist?(imzml).should be_true
|
125
|
+
sanitize(imzml_check).should == sanitize(imzml)
|
126
|
+
File.unlink(ibd) ; File.unlink(imzml)
|
127
|
+
end
|
128
|
+
end
|
129
|
+
|
100
130
|
|
101
131
|
end
|
Binary file
|