# HG changeset patch # User bernhardlutz # Date 1396028473 14400 # Node ID 0bbb107a2cf2e3b35869d3b1e8e679cc6e5a1e27 # Parent d3f9c70919dc297c242ae4a8df2689d9906d1264 Deleted selected files diff -r d3f9c70919dc -r 0bbb107a2cf2 rest_tool.py --- a/rest_tool.py Mon Mar 24 14:00:06 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,53 +0,0 @@ -#!/usr/bin/env python -# Aufruf convert_graph.py --type type --operation op --id id --outformat format --outfile outfile - -import sys, os -import networkx as nx -import argparse -import urllib2 - -#supported graph_types -output_types = ["tsv", "csv", "png", "json", "txt", "xml", "sdf", "asnt", "asnb", "jsonp"] - - -def getresult(url): - try: - connection = urllib2.urlopen(url) - except urllib2.HTTPError, e: - return "" - else: - return connection.read().rstrip() -def main(args): - url="http://pubchem.ncbi.nlm.nih.gov/rest/pug/"+args.type+"/" - if args.type == "assay": - url+="aid/" - elif args.type == "compound": - url+="cid/" - url+=args.id+"/"+args.operation+"/"+args.outformat - print(url) - print(args.type) - data=getresult(url) - file=args.outfile - file.write(data) - file.close() - -if __name__ == "__main__": - parser = argparse.ArgumentParser() - parser.add_argument('--type', type=str, - help="That you want BioAssay Compund ...") - parser.add_argument('--id', type=str, - help="Specify the ID") - parser.add_argument('--operation', type=str, - help="Specify the operation") - parser.add_argument('--property-value', type=str, - help="Specify the property") - parser.add_argument('--outformat', type=str, - help="Specify the format of the output", choices = output_types) - parser.add_argument('--outfile', type=argparse.FileType('w'), - help="Specify one output file") - if len(sys.argv) < 8: - print "Too few arguments..." - parser.print_help() - exit(1) - args = parser.parse_args() - main( args ) diff -r d3f9c70919dc -r 0bbb107a2cf2 rest_tool.xml --- a/rest_tool.xml Mon Mar 24 14:00:06 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,85 +0,0 @@ - - Fetch pubchem data - echo "0.1.0" - - REST_TOOL_SCRIPT_PATH - - - #if $choose_action.action == 'specific_data': - rest_tool.py - --id $choose_action.id - --type $choose_action.input_type - --outformat $choose_action.output_format - - --operation $choose_action.operation_property.operation - #if $choose_action.operation_property.operation == 'property': - --property-value $choose_action.operation_property.property - #end if - - --outfile $output - #elif $choose_action.action == 'compounds_for_assay': - rest_tool_comp_for_assay.py --aid $choose_action.aid --outfile $output - #end if - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -**What it does** - -This tool fetches data from pubchem - - diff -r d3f9c70919dc -r 0bbb107a2cf2 rest_tool_comp_for_assay.py --- a/rest_tool_comp_for_assay.py Mon Mar 24 14:00:06 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,59 +0,0 @@ -#!/usr/bin/env python -# Aufruf convert_graph.py --aid list of ids --aid-from-file file - -import sys, os -import networkx as nx -import argparse -import urllib2, urllib, httplib - -#supported graph_types -#output_types = ["tsv", "csv", "png", "json", "txt", "xml", "sdf", "asnt", "asnb", "jsonp"] - - -def getresult(url): - try: - connection = urllib2.urlopen(url) - except urllib2.HTTPError, e: - return "" - else: - return connection.read().rstrip() - - -def getresultPost(url, aidList): - values={'aids': ",".join(aidList)} - data=urllib.urlencode(values) - print(data) - - headers = {"Content-type": "application/x-www-form-urlencoded"} - conn = httplib.HTTPConnection("pubchem.ncbi.nlm.nih.gov") - conn.request("POST", "/rest/pug/assay/aid/aids/csv", data, headers) - response = conn.getresponse() - conn.close() - return response.read() - - - -#get the cids for bioassay aid -def getCompoundList(aid): - url="http://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/"+aid+"/cids/txt" - data=getresult(url) - return data - -def main(args): - cids=getCompoundList(args.aid) - args.outfile.write(cids) - args.outfile.close() -if __name__ == "__main__": - parser = argparse.ArgumentParser() - parser.add_argument('--aid', type=str, - help="AIDs of the BioAssay") - parser.add_argument('--aid-from-file', type=argparse.FileType('r'), - help="Specify a file with a list of aids, one per line") - parser.add_argument('--outfile', type=argparse.FileType('w'), - help="Specify output file") - if len(sys.argv) < 2: - print "Too few arguments..." - parser.print_help() - exit(1) - args = parser.parse_args() - main( args ) diff -r d3f9c70919dc -r 0bbb107a2cf2 tool_dependencies.xml --- a/tool_dependencies.xml Mon Mar 24 14:00:06 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,5 +0,0 @@ - - - $REPOSITORY_INSTALL_DIR - -