Andreas Maunz amaunz
amaunz
/ TUM Clustering: Instantiation and Querying
Created
July 28, 2011 14:43
TUM Clustering: Instantiation and Querying
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| require 'rubygems' | |
| require 'opentox-ruby' | |
| # Parameters | |
| dataset_uri = "http://x61s.fdm.uni-freiburg.de/dataset/682" | |
| threshold = 0.8 | |
| threshold_query = 0.5 | |
| cluster_service_uri = "http://opentox-dev.informatik.tu-muenchen.de:8080/OpenTox/algorithm/StructuralClustering" | |
| query_compound = OpenTox::Compound.from_smiles("O1COc2cc(ccc12)C") |
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| # Generate a csv from xls using ruby with a HERE document | |
| # uses ruby's 'roo' gem | |
| # Creates output for every sheet separately | |
| # Usage: xls2csv </path/to/xlsfile.xls> | |
| xls2csv () { | |
| if [ ! -f $1 ]; then | |
| echo "File '$1' not found." | |
| exit 1 | |
| fi |