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[
# Author: xiooli <xioooli[at]yahoo.com.cn>
# Site: http://joolix.com
# Licence: GPLv3
# Version: 100908
import sys, os
sys.path.append(os.path.dirname(os.path.dirname(sys.argv[0])))
from libmymoldb import sql
from settings import ENVS
if len(sys.argv) < 2:
print 'Useage: ' + sys.argv[0] + ' output.sql'
sys.exit(1)
else:
dbs = []
for k, v in ENVS.items():
if v.has_key('DEF_FILE'):
dbs.append(k)
db = None
while not db in dbs:
db = raw_input('Please choose db in ( %s ): ' %', '.join(dbs))
if not db in dbs:
print 'Error, db name not valid!'
try:
f = open(sys.argv[1], 'w')
sql_obj = sql(ENVS[db])
for v in sql_obj.gen_sql_head().values():
f.write(v + '\n')
f.close()
print '%s successfully generated! Now you can execute the generated sql file to create a new database.' %sys.argv[1]
except Exception, e:
'''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]"
# Author: xiooli <xioooli[at]yahoo.com.cn>
# Site: http://joolix.com
# Licence: GPLv3
# Version: 100908
import sys, os
sys.path.append(os.path.dirname(os.path.dirname(sys.argv[0])))
from libmymoldb import sql
from settings import ENVS
if len(sys.argv) < 2:
print 'Useage: ' + sys.argv[0] + ' output.sql'
sys.exit(1)
else:
dbs = []
for k, v in ENVS.items():
if v.has_key('DEF_FILE'):
dbs.append(k)
db = None
while not db in dbs:
db = raw_input('Please choose db in ( %s ): ' % ', '.join(dbs))
if not db in dbs:
print 'Error, db name not valid!'
try:
f = open(sys.argv[1], 'w')
sql_obj = sql(ENVS[db])
for v in sql_obj.gen_sql_head().values():
f.write(v + '\n')
f.close()
print '%s successfully generated! Now you can execute the generated sql file to create a new database.' % sys.argv[
1]