Mercurial > repos > pieterlukasse > prims_metabolomics
annotate test/test_query_mass_repos.py @ 27:ecd3f6c9e606
small fix to support spaces in parameters
author | pieter.lukasse@wur.nl |
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date | Thu, 01 May 2014 11:19:52 +0200 |
parents | 637830ac8bcd |
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New tool to Query multiple public repositories for elemental compositions
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1 '''Integration tests for the GCMS project''' |
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2 |
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3 from pkg_resources import resource_filename # @UnresolvedImport # pylint: disable=E0611 |
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4 from MS import query_mass_repos |
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5 import os.path |
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6 import sys |
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7 import unittest |
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8 |
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9 |
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10 class IntegrationTest(unittest.TestCase): |
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11 |
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12 |
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13 |
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14 |
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15 def test_simple(self): |
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16 ''' |
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17 Simple initial test |
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18 ''' |
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19 # Create out folder |
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20 outdir = "output/query_mass_repos/" |
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21 if not os.path.exists(outdir): |
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22 os.makedirs(outdir) |
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23 |
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24 #Build up arguments and run |
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25 |
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26 # input_file = sys.argv[1] |
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27 # molecular_mass_col = sys.argv[2] |
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28 # repository_file = sys.argv[3] |
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29 # mass_tolerance = float(sys.argv[4]) |
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30 # output_result = sys.argv[5] |
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31 |
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32 input_file = resource_filename(__name__, "data/service_query_tabular.txt") |
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33 |
26
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added validation in metexp to tabular tool; added workaround/fix for L and D compound types
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34 molecular_mass_col = "mass (Da)" |
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35 dblink_file = resource_filename(__name__, "data/MFSearcher ExactMassDB service.txt") |
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36 output_result = resource_filename(__name__, outdir + "metexp_query_results_added.txt") |
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37 |
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38 |
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39 |
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40 |
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41 sys.argv = ['test', |
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42 input_file, |
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43 molecular_mass_col, |
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44 dblink_file, |
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45 '0.001', |
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46 'ms', |
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47 output_result] |
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48 |
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49 # Execute main function with arguments provided through sys.argv |
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50 query_mass_repos.main() |
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51 |
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52 |
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53 |
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54 |
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55 |
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56 def _read_file(filename): |
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57 ''' |
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58 Helper method to quickly read a file |
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59 @param filename: |
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60 ''' |
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61 with open(filename) as handle: |
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62 return handle.read() |