import sys
import math

# Given a list of eigenvalues (evals) and a list eigenvectors (evecs) calculate S2 
# using an iRED approach
def CalcS2(evals,evecs) :
  prod = []
  n = len(evals)
  for i in range(n) :
    s = []
    for j in range(n) : s.append(evecs[i][j]*evecs[i][j])
    prod.append(s)
  
  s2 = []
  for i in range(n) :
    s = 0.0
    for j in range(n) :
      if (j>=5) : 
        s += evals[j]*prod[j][i]
    s2.append(1.0-s)
  return s2

# Read an output file from ptraj containing eigenvectors and eigenvalues
def ReadIredFile(filename) :

  f = open(filename,'r')
  # Read the header
  header = f.readline()
  vals = f.readline().strip().split()
  n = int(vals[0])
  for i in range(int(math.ceil(n/7.0))) : f.readline()
  
  # Read all eigenvalues and eigenvectors
  evals = []
  evecs = []
  for i in (range(n)) :    
    header = f.readline()
    vals = f.readline().strip().split()       
    evals.append(float(vals[1]))
    vec = []
    for i in range(int(math.ceil(n/7.0))) :
      vals = f.readline().strip().split()
      for v in vals : vec.append(float(v))
    evecs.append(vec) 
  
  f.close()
  return(evals,evecs)

# If this is run from the command-line read a file and print S2 to standard output
if __name__ == '__main__' :
  filname = ''
  if len(sys.argv) == 1 :
    print "Enter the name of ired vector-file: "
    filename = raw_input()
  else : 
    filename = sys.argv[1]
  
  (evals,evecs) = ReadIredFile(filename)
  s2s = CalcS2(evals,evecs)
  
  for x in s2s : print " %.8e" % x