def load_simmat(path):
"""(str) => lmatrix
load the lmatrix from file
"""
def load_cids():
"""() => set of str
return a set of the complex ids
>>> len(load_cids("fp_370_atg.txt"))
236
"""
return set([c for l in open(path).readlines() for c in l.split()[:2]])
from lmatrix import lmatrix
#init matrixc
m = lmatrix(load_cids())
#set values
for l in open(path).readlines():
c1,c2,value = l.split()
value = float(value)
m[c1,c2] = value
m[c2,c1] = value
return m
def load_simmat(path):
"""(str) => lmatrix
load the lmatrix from file
"""
#init matrixc
m = lmatrix(load_cids(path))
#set values
for l in open(path).readlines():
c1, c2, value = l.split()
value = float(value)
m[c1, c2] = value
m[c2, c1] = value
return m
def load_simmat(path):
"""(str) => lmatrix
load the lmatrix from file
"""
#init matrixc
m = lmatrix(load_cids(path))
#set values
for l in open(path).readlines():
c1,c2,value = l.split()
value = float(value)
m[c1,c2] = value
m[c2,c1] = value
return m
f = open("data/energy.values", "r")
tpls = map(lambda l: l.split(), f.readlines())
tpls = map(lambda tpl: (tpl[0], float(tpl[1])), tpls)
d = dict(tpls)
cids = map(lambda s: s[0], tpls)
from lmatrix import lmatrix
m = lmatrix(cids)
for c1 in cids:
for c2 in cids:
m[c1,c2] = abs(d[c1] - d[c2])
print m.to_csv_str()