Mercurial > repos > pieterlukasse > prims_metabolomics
comparison query_mass_repos.py @ 30:60b53f2aa48a
Small fixes, added microminutes support to MsClust, removed TIC or MsClust output
| author | pieter.lukasse@wur.nl |
|---|---|
| date | Sat, 30 Aug 2014 16:14:18 +0200 |
| parents | 85fd05d0d16c |
| children |
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| 29:0d534bce8e84 | 30:60b53f2aa48a |
|---|---|
| 274 input_data = _process_file(input_file) | 274 input_data = _process_file(input_file) |
| 275 | 275 |
| 276 # Query data against repository : | 276 # Query data against repository : |
| 277 enriched_data = _query_and_add_data(input_data, molecular_mass_col, repository_dblink, error_margin, margin_unit) | 277 enriched_data = _query_and_add_data(input_data, molecular_mass_col, repository_dblink, error_margin, margin_unit) |
| 278 headers = input_data.keys() + ['SEARCH hits for ','SEARCH hits: db-names', 'SEARCH hits: molecular-formulas ', | 278 headers = input_data.keys() + ['SEARCH hits for ','SEARCH hits: db-names', 'SEARCH hits: molecular-formulas ', |
| 279 'SEARCH hits: ids','SEARCH hits: descriptions', 'Link to SEARCH hits'] | 279 'SEARCH hits: ids','SEARCH hits: descriptions', 'Link to SEARCH hits'] #TODO - add min and max formula weigth columns |
| 280 | 280 |
| 281 _save_data(enriched_data, headers, output_result) | 281 _save_data(enriched_data, headers, output_result) |
| 282 | 282 |
| 283 seconds_end = int(round(time.time())) | 283 seconds_end = int(round(time.time())) |
| 284 print "Took " + str(seconds_end - seconds_start) + " seconds" | 284 print "Took " + str(seconds_end - seconds_start) + " seconds" |