On 4/23/2014 3:53 AM, Dhananjay wrote:
Hello everyone,
I am trying hard to write a list to a file as follows:
def average_ELECT(pwd):
os.chdir(pwd)
I would 'print pwd' to make sure where files are being opened.
files = filter(os.path.isfile, os.listdir('./'))
folders = filter(os.path.isdir, os.listdir('./'))
eelec = 0.0; evdw = 0.0; EELEC = []; elecutoff = [];
g = Gnuplot.Gnuplot()
for f1 in files:
# if f1[21:23]=='12':
if f1[27:29]==sys.argv[1]: # vdw cutoff remains constant; see
2nd column of output
fl1 = open(f1,'r').readlines()
# print len(fl1)
for i in range(1, len(fl1)):
fl1[i]=fl1[i].split()
eelec = eelec + float(fl1[i][1])
evdw = evdw + float(fl1[i][2])
#print fl1[i][1], fl1[i][2]
avg_eelec = eelec/40
avg_evdw = evdw/40
# print eelec, evdw
# print f1[21:23], f1[27:29], avg_eelec, avg_evdw
print f1[21:23], f1[27:29], avg_eelec
# EELEC.append(avg_eelec); elecutoff.append(float(f1[21:23]))
eelec=0.0; evde=0.0;
a = f1[21:23]+' '+f1[27:29]+' '+str(avg_eelec)
EELEC.append(a)
print sorted(EELEC)
with open('EElect_elec12-40_vdwxxx.dat','w') as wr:
for i in EELEC:
print i
wr.write("%s\n" % i)
wr.close()
The script is printing "print sorted(EELEC)" as well as "print
f1[21:23], f1[27:29], avg_eelec" very well.
However, for some reason, I neither see any file (expected to see
EElect_elec12-40_vdwxxx.dat as per the script) generated nor any error
message.
Could anyone suggest me correction here.
Thanking you in advance.
-- DJ
--
Terry Jan Reedy
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