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]"
