Wojtek Walczak wrote:
On Fri, 22 Aug 2008 10:42:13 -0400, Ben Keshet wrote:
Thanks. I tried to use 'for' instead of 'while' as both of you
suggested. It's running well as my previous version but breaks
completely instead of just skipping the empty file. I suspect the
reason is that this part is inside another 'for' so it stops
everything. I just want to it to break only one 'for', that is go back
to 5th line in the example code (directory C has one empty file):
for line in f:
^^^
line = line.rstrip()
if "PRIMARY" not in line:
j += 1
if j == 20:
break
else:
for line in f:
^^^
You're iterating through the same value in inner and outer loop.
Don't do that. It's hard to predict the behavior of such a code.
Regarding break statement, it breaks only the inner loop
and returns to the outer loop/block.
It would be great if you could reduce your code to a short piece
that illustrates your problem and that we could all run.
I ended up using another method as someone suggested to me. I am still
not sure why the previous version got stuck on empty files, while this
one doesn't:
receptors = ['A' 'B']
for x in receptors:
# open out_file for appending for each 'x' in receptors, close at
same level
out_file =
open('c:/Linux/Dock_method_validation/%s/validation/pockets.out' %(x),'a')
for i in range(10):
for r in (7, 9, 11, 13, 15, 17):
f =
open('c:/Linux/Dock_method_validation/%s/validation/ligand_ran_line_%s_%sA_secondary_scored.mol2'
%(x,i,r), 'r')
# assume 'PRIMARY' should be found first
# set flag for string 'PRIMARY'
primary = False
# iterate on file object, empty files will be skipped
for line in f:
if 'PRIMARY' in line:
primary = True
out_file.write(line.strip())
# copy scores
elif 'TRIPOS' not in line and primary:
out_file.write(line.strip())
out_file.write(' ')
elif 'TRIPOS' in line and primary:
break
print
out_file.write('\n')
f.close()
out_file.close()
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