| [e1a46d] | 1 | #!@PYTHON@
|
|---|
| 2 | #
|
|---|
| 3 | # Creates an Analysis matrix for a number of nanotubes (n,m) with stress files
|
|---|
| 4 |
|
|---|
| 5 | import sys, random, math
|
|---|
| 6 | wrout = sys.stdout.write
|
|---|
| 7 | wrerr = sys.stdout.write
|
|---|
| 8 |
|
|---|
| 9 | # check arguments
|
|---|
| 10 | if len(sys.argv) < 2:
|
|---|
| 11 | print "Usage: "+sys.argv[0]+" <input> <output>"
|
|---|
| 12 | sys.exit(1)
|
|---|
| 13 |
|
|---|
| 14 | if sys.argv[1] in sys.argv[2]:
|
|---|
| 15 | print "Please state two different files!"
|
|---|
| 16 | sys.exit(1)
|
|---|
| 17 | input = open(sys.argv[1], "r")
|
|---|
| 18 | output = open(sys.argv[2], "w")
|
|---|
| 19 |
|
|---|
| 20 | # parse lines into array
|
|---|
| 21 | chiralities=[ ]
|
|---|
| 22 | runs=[ ]
|
|---|
| 23 | defects=[ ]
|
|---|
| 24 | values=[ ]
|
|---|
| 25 | for line in input:
|
|---|
| 26 | if "#" in line:
|
|---|
| 27 | continue
|
|---|
| 28 | entries=line.split()
|
|---|
| 29 | if not entries[0] in chiralities:
|
|---|
| 30 | chiralities.append(entries[0])
|
|---|
| 31 | if not entries[1] in runs:
|
|---|
| 32 | runs.append(entries[1])
|
|---|
| 33 | if not entries[2] in defects:
|
|---|
| 34 | defects.append(entries[2])
|
|---|
| 35 | values.append([entries[0], entries[1], entries[2], entries[3:]])
|
|---|
| 36 | for n in range(len(values[-1])):
|
|---|
| 37 | wrout("%s\t" % (values[-1][n]))
|
|---|
| 38 | wrout("\n")
|
|---|
| 39 | input.close()
|
|---|
| 40 |
|
|---|
| 41 | # sum values
|
|---|
| 42 | avg_values=[ ]
|
|---|
| 43 | for i in range(len(values)):
|
|---|
| 44 | if (values[i][1] == runs[0]):
|
|---|
| 45 | tmp=[ ]
|
|---|
| 46 | for j in range(len(values[i][3])): # create array initialised to 0
|
|---|
| 47 | tmp.append(0.)
|
|---|
| 48 | avg_values.append([values[i][0],values[i][2],tmp[:]])
|
|---|
| 49 | # look for corresponding index to i in avg_value
|
|---|
| 50 | j=0
|
|---|
| 51 | while (j < len(avg_values)):
|
|---|
| 52 | if ((avg_values[j][0] == values[i][0]) and (avg_values[j][1] == values[i][2])):
|
|---|
| 53 | break
|
|---|
| 54 | j+=1
|
|---|
| 55 | if j < len(avg_values):
|
|---|
| 56 | for n in range(len(values[i][3])/2):
|
|---|
| 57 | avg_values[j][2][2*n]+=float(values[i][3][2*n]) # value
|
|---|
| 58 | avg_values[j][2][2*n+1]+=float(values[i][3][2*n+1])*float(values[i][3][2*n+1]) # value
|
|---|
| 59 | else:
|
|---|
| 60 | wrerr("Cannot sort in values for %s, %s, %s!\n" % (values[i][0], values[i][1], values[i][2]))
|
|---|
| 61 |
|
|---|
| 62 | # output values
|
|---|
| 63 | oldm=-1
|
|---|
| 64 | output.write("#n\tm\tdefect\tPoss\tError\tYoungPot\tError\tYoungLag\tError\tPossLag\tError\tYoungLog\tError\tPossLog\tError\tEModulus\tError\n")
|
|---|
| 65 | for i in range(len(avg_values)):
|
|---|
| 66 | chiral=avg_values[i][0].split("-")
|
|---|
| 67 | if oldm != chiral[1]:
|
|---|
| 68 | if oldm != -1:
|
|---|
| 69 | output.write("\n\n")
|
|---|
| 70 | oldm=chiral[1]
|
|---|
| 71 | output.write("%s\t%s\t%s\t" % (chiral[0],chiral[1],avg_values[i][1]))
|
|---|
| 72 | for n in range(0,len(avg_values[i][2])/2):
|
|---|
| 73 | output.write("%s\t%s\t" % (avg_values[i][2][2*n]/len(runs),math.sqrt(avg_values[i][2][2*n+1])))
|
|---|
| 74 | output.write("\n")
|
|---|
| 75 | output.close()
|
|---|
| 76 |
|
|---|
