First commit of MAMMULT code

1 files changed, 44 insertions, 0 deletions

diff --git a/structure/metrics/cartography_from_columns.py b/structure/metrics/cartography_from_columns.py
new file mode 100644
index 0000000..a2343ed
--- /dev/null
+++ b/structure/metrics/cartography_from_columns.py
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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
+
+