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####
##
## Make a cartography (i.e., sum and participation coefficient) based
## on the values found at the given column numbers of the file given
## as input, e.g.:
##
## cartography_cols.py FILEIN 1 5 8 14
##
## makes the assumption that the system has 4 layers, and that the
## quantities involved in the cartography are at the 2nd, 6th, 9th and
## 15th column of FILEIN
##
##
##
import sys
if len(sys.argv) < 4:
print "Usage: %s <filein> <col1> <col2> [<col3> <col4>...]" % sys.argv[0]
sys.exit(1)
filein=sys.argv[1]
cols = [int(x) for x in sys.argv[2:]]
M = len(cols)
with open(filein,"r") as f:
for l in f:
if l[0] == "#":
continue
elems = [float(x) if "e" in x or "." in x else int(x) for x in l.strip(" \n").split(" ")]
sum_elems = 0
part = 0
for c in cols:
val = elems[c]
sum_elems += val
part += val*val
if sum_elems > 0:
part = M * 1.0 / (M -1) * (1 - part * 1.0 / (sum_elems * sum_elems))
else:
part = 0.0
print elems[0], sum_elems, part
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