mengine/src/mengine.py

import os

molblock_in = file("drugs.sdf").read()
cmd = os.curdir + os.sep + "mengine"
# mengine will read multi-molblock sdf files,
#  but calling through popen2 with some (large?) files hangs on windows,
#  even though the same file runs fine at command line.
#  So, split into separate files.
for molblock_in in (file("drugs.sdf").read()).split('$$$$\n'):
 if len(molblock_in) > 0:
  mengine_in, mengine_out = os.popen2(cmd)
  mengine_in.write(molblock_in)
  mengine_in.close()
  molblock_out = mengine_out.read()
  print molblock_out,
Revision:	14
Committed:	Thu Jun 19 00:21:04 2008 UTC (14 years, 2 months ago) by tjod
Original Path:	*trunk/smi23d/src/mengine/mengine.py*
File size:	539 byte(s)
Log Message:	Sample python code showing how mengine can be called using popen2
Line	File contents
1	import os
2
3	molblock_in = file("drugs.sdf").read()
4	cmd = os.curdir + os.sep + "mengine"
5	# mengine will read multi-molblock sdf files,
6	# but calling through popen2 with some (large?) files hangs on windows,
7	# even though the same file runs fine at command line.
8	# So, split into separate files.
9	for molblock_in in (file("drugs.sdf").read()).split('$$$$\n'):
10	if len(molblock_in) > 0:
11	mengine_in, mengine_out = os.popen2(cmd)
12	mengine_in.write(molblock_in)
13	mengine_in.close()
14	molblock_out = mengine_out.read()
15	print molblock_out,