Mercurial > repos > recetox > matchms_networking
diff matchms_networking_wrapper.py @ 5:8147d93d372d draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
---|---|
date | Tue, 27 Jun 2023 14:29:16 +0000 |
parents | e4ec3592507f |
children | 0fd1e5d4ca3c |
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--- a/matchms_networking_wrapper.py Thu May 25 09:06:20 2023 +0000 +++ b/matchms_networking_wrapper.py Tue Jun 27 14:29:16 2023 +0000 @@ -8,13 +8,14 @@ def main(argv): parser = argparse.ArgumentParser(description="Create network-graph from similarity scores.") parser.add_argument("--graph_format", type=str, help="Format of the output similarity network.") + parser.add_argument("--score_name", type=str, help="Name of the score layer to use for creating the network graph.") parser.add_argument("--identifier", type=str, help="Unique metadata identifier of each spectrum from which scores are computed.") parser.add_argument("--top_n", type=int, help="Number of highest-score edges to keep.") parser.add_argument("--max_links", type=int, help="Maximum number of links to add per node.") parser.add_argument("--score_cutoff", type=float, help="Minimum similarity score value to link two spectra.") parser.add_argument("--link_method", type=str, help="Method for selecting top N edges for each node.") parser.add_argument("--keep_unconnected_nodes", help="Keep unconnected nodes in the network.", action="store_true") - parser.add_argument("scores", type=str, help="Path to matchMS similarity-scores .json file.") + parser.add_argument("scores", type=str, help="Path to matchms similarity-scores .json file.") parser.add_argument("output_filename", type=str, help="Path where to store the output similarity network.") args = parser.parse_args() @@ -27,7 +28,7 @@ link_method=args.link_method, keep_unconnected_nodes=args.keep_unconnected_nodes) - network.create_network(scores) + network.create_network(scores, args.score_name) network.export_to_file(filename=args.output_filename, graph_format=args.graph_format) return 0