import sys, os sys.path.append(os.path.dirname(os.path.dirname(sys.argv[0]))) import openbabel as ob from libmymoldb import sdf, mymol, sql from libmymoldb.functions import md5 from settings import ENVS if __name__ == "__main__": savedir = 'sqls' if len(sys.argv) < 2: print "useage: python " + sys.argv[ 0] + " input.sdf [database name] [save dir]" sys.exit(1) elif len(sys.argv) < 3: db = raw_input('Choose a database: ' + ', '.join(ENVS.keys()) + ': ') elif len(sys.argv) == 4: savedir = sys.argv[3] else: db = sys.argv[2] try: sdf_file = sys.argv[1] if not os.path.exists(sdf_file): print "sdf input file not exist" sys.exit(1) if not os.path.exists(ENVS[db]['DEF_FILE']): print "def file not exist" sys.exit(1) except: print "useage: python " + sys.argv[
'''parse the pubchem sdf file and translate it into sql file according to the def file''' import sys, os sys.path.append(os.path.dirname(os.path.dirname(sys.argv[0]))) import openbabel as ob from libmymoldb import sdf, mymol, sql from libmymoldb.functions import md5 from settings import ENVS if __name__ == "__main__": savedir = 'sqls' if len(sys.argv) < 2: print "useage: python " + sys.argv[0] + " input.sdf [database name] [save dir]" sys.exit(1) elif len(sys.argv) < 3: db = raw_input('Choose a database: ' + ', '.join(ENVS.keys()) + ': ') elif len(sys.argv) == 4: savedir = sys.argv[3] else: db = sys.argv[2] try: sdf_file = sys.argv[1] if not os.path.exists(sdf_file): print "sdf input file not exist" sys.exit(1) if not os.path.exists(ENVS[db]['DEF_FILE']): print "def file not exist" sys.exit(1) except: print "useage: python " + sys.argv[0] + " input.sdf [database name] [save dir]"