How to make list of lists based on particular character?

Question

I have one file which has follow lines:

B99990001 1 2 3 4
B99990001 1 3 3 4
B99990002 1 2 3 4
B99990002 1 3 3 4
B99990003 1 2 3 4
B99990003 1 3 3 4

So Here my aim is to make a main list which should have three sub lists based on the first columns (B99990001,B99990002,B99990003) of lines:

Mainlist=[ 
          ['B99990001 1 2 3 4','B99990001 1 3 3 4'],#sublist1 has B99990001
          ['B99990002 1 2 3 4','B99990002 1 3 3 4'],#sublist2 has B99990002
          ['B99990002 1 2 3 4','B99990002 1 3 3 4'] #sublist3 has B99990002
                                                                                ]

I hope, My question is understandable. So If someones know could you help me out of this.

Thanking you in advance

SEE HERE MY REAL EXAMPLE:

import os
import re
pdbPathAndName = ['/Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014  /ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990001.pdb','/Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014/ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990002.pdb']

''' /Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014/ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990001.pdb=[
                    'ATOM    138  SG  CYS    19       4.499   4.286   8.260  1.00 71.96           S',
                    'ATOM    397  SG  CYS    50      14.897   3.238   9.338  1.00 34.60           S',
                    'ATOM    424  SG  CYS    54       5.649   5.914   8.639  1.00 42.68           S',
                    'ATOM    774  SG  CYS    97      12.114  -6.864  23.897  1.00 62.23           S',
                    'ATOM    865  SG  CYS   108      15.200   3.910  11.227  1.00 54.49           S'    ]

/Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014/ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990002.pdb=[
                    'ATOM    929  SG  CYS   117      13.649  -6.894  22.589  1.00106.90           S',
                    'ATOM    138  SG  CYS    19       4.499   4.286   8.260  1.00 71.96           S',
                    'ATOM    397  SG  CYS    50      14.897   3.238   9.338  1.00 34.60           S',
                    'ATOM    424  SG  CYS    54       5.649   5.914   8.639  1.00 42.68           S',
                    'ATOM    774  SG  CYS    97      12.114  -6.864  23.897  1.00 62.23           S',
                    'ATOM    865  SG  CYS   108      15.200   3.910  11.227  1.00 54.49           S',
                    'ATOM    929  SG  CYS   117      13.649  -6.894  22.589  1.00106.90           S'    ] '''


for path in pdbPathAndName:
    f = open(path, 'r').readlines()
    f = map(lambda x: x.strip(), f)
    for line in f:
        if "SG" in line and line.endswith("S"):
             print (path.split("/")[-1] + "_" + re.split('\s+', line)[1] + ":" + re.split('\s+', line)[5] + ":" +re.split('\s+', line)[6] + ":" + re.split('\s+', line)[7])

#PRINTED OUTPUT
'''E3P.B99990001.pdb_138:6.923:0.241:6.116
   E3P.B99990001.pdb_397:15.856:3.506:8.144
   E3P.B99990001.pdb_424:8.558:1.315:6.627
   E3P.B99990001.pdb_774:14.204:-5.490:24.812
   E3P.B99990001.pdb_865:15.545:4.258:10.007
   E3P.B99990001.pdb_929:16.146:-6.081:24.770

   E3P.B99990002.pdb_138:4.499:4.286:8.260
   E3P.B99990002.pdb_397:14.897:3.238:9.338
   E3P.B99990002.pdb_424:5.649:5.914:8.639
   E3P.B99990002.pdb_774:12.114:-6.864:23.897
   E3P.B99990002.pdb_865:15.200:3.910:11.227
   E3P.B99990002.pdb_929:13.649:-6.894:22.589'''

  #MY EXPECTED OUTPUT 
''' MainlIst=[
            ['E3P.B99990001.pdb_138:6.923:0.241:6.116'
            'E3P.B99990001.pdb_397:15.856:3.506:8.144'
            'E3P.B99990001.pdb_424:8.558:1.315:6.627'
            'E3P.B99990001.pdb_774:14.204:-5.490:24.812'
            'E3P.B99990001.pdb_865:15.545:4.258:10.007'
            'E3P.B99990001.pdb_929:16.146:-6.081:24.770']#sublist1

            ['E3P.B99990002.pdb_138:4.499:4.286:8.260'
            'E3P.B99990002.pdb_397:14.897:3.238:9.338'
            'E3P.B99990002.pdb_424:5.649:5.914:8.639'
            'E3P.B99990002.pdb_774:12.114:-6.864:23.897'
            'E3P.B99990002.pdb_929:13.649:-6.894:22.589']#sublist2
                                                            ]'''
#then use thes sublists to make combinations
    for sublists in mainlist:
         Combinatedlist=map(dict,itertools.combinations(sublists.iteritems(), 2))
#since it is sublist there wont be any crossing between sublist1 and  sublist2 while doing combinations

#but still I didnt get proper result if you can then suggest me your ways

Hi guys I got an answer for this by just including particular pattern between each blogs and spitted based on the same to make sub lists then made a combination out of it

My code:

import fileinput
import os
import re
import itertools
import math
import sys

pdbPathAndName = ['/Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014/ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990001.pdb','/Users/Mahesh/Documents/MAHESH_INTERNSHIP_2014/ENZOWP2/2WC5_090715_170128/E3P/E3P.B99990002.pdb']

ATOM_COORDINATE=[]
for path in pdbPathAndName:
    f = open(path, 'r').readlines()
    f = map(lambda x: x.strip(), f)
    for line in f:
        if "SG" in line and line.endswith("S"):
        ATOM_COORDINATE.append(path.split("/")[-1] + "_" + re.split('\s+', line)[1] + ":" + re.split('\s+', line)[5] + ":" +re.split('\s+', line)[6] + ":" + re.split('\s+', line)[7])
ATOM_COORDINATE.append("foo")

#Making Mainlist with sublists by splitting "foo" pattern
sub = []
for item in ATOM_COORDINATE:
    if item == 'foo':
         ATOM_COORDINATE.append(sub)
         sub = []
    else:
        sub.append(item)
 #Making combinations out of sublists
 COMBINATION=[]
 for sublists in sub:
     for L in range(2, len(sublists), 4):
        for subset in itertools.combinations(sublists, L):
            COMBINATION.append(subset)

OUTPUT:
MainlistWithSublists:
[['E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_397:15.856:3.506:8.144', 'E3P.B99990001.pdb_424:8.558:1.315:6.627', 'E3P.B99990001.pdb_774:14.204:-5.490:24.812', 'E3P.B99990001.pdb_865:15.545:4.258:10.007', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'], ['E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_397:14.897:3.238:9.338', 'E3P.B99990002.pdb_424:5.649:5.914:8.639', 'E3P.B99990002.pdb_774:12.114:-6.864:23.897', 'E3P.B99990002.pdb_865:15.200:3.910:11.227', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589']]
Combination out of sublists:
[('E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_397:15.856:3.506:8.144'), ('E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_424:8.558:1.315:6.627'), ('E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_774:14.204:-5.490:24.812'), ('E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_865:15.545:4.258:10.007'), ('E3P.B99990001.pdb_138:6.923:0.241:6.116', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'), ('E3P.B99990001.pdb_397:15.856:3.506:8.144', 'E3P.B99990001.pdb_424:8.558:1.315:6.627'), ('E3P.B99990001.pdb_397:15.856:3.506:8.144', 'E3P.B99990001.pdb_774:14.204:-5.490:24.812'), ('E3P.B99990001.pdb_397:15.856:3.506:8.144', 'E3P.B99990001.pdb_865:15.545:4.258:10.007'), ('E3P.B99990001.pdb_397:15.856:3.506:8.144', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'), ('E3P.B99990001.pdb_424:8.558:1.315:6.627', 'E3P.B99990001.pdb_774:14.204:-5.490:24.812'), ('E3P.B99990001.pdb_424:8.558:1.315:6.627', 'E3P.B99990001.pdb_865:15.545:4.258:10.007'), ('E3P.B99990001.pdb_424:8.558:1.315:6.627', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'), ('E3P.B99990001.pdb_774:14.204:-5.490:24.812', 'E3P.B99990001.pdb_865:15.545:4.258:10.007'), ('E3P.B99990001.pdb_774:14.204:-5.490:24.812', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'), ('E3P.B99990001.pdb_865:15.545:4.258:10.007', 'E3P.B99990001.pdb_929:16.146:-6.081:24.770'), ('E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_397:14.897:3.238:9.338'), ('E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_424:5.649:5.914:8.639'), ('E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_774:12.114:-6.864:23.897'), ('E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_865:15.200:3.910:11.227'), ('E3P.B99990002.pdb_138:4.499:4.286:8.260', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589'), ('E3P.B99990002.pdb_397:14.897:3.238:9.338', 'E3P.B99990002.pdb_424:5.649:5.914:8.639'), ('E3P.B99990002.pdb_397:14.897:3.238:9.338', 'E3P.B99990002.pdb_774:12.114:-6.864:23.897'), ('E3P.B99990002.pdb_397:14.897:3.238:9.338', 'E3P.B99990002.pdb_865:15.200:3.910:11.227'), ('E3P.B99990002.pdb_397:14.897:3.238:9.338', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589'), ('E3P.B99990002.pdb_424:5.649:5.914:8.639', 'E3P.B99990002.pdb_774:12.114:-6.864:23.897'), ('E3P.B99990002.pdb_424:5.649:5.914:8.639', 'E3P.B99990002.pdb_865:15.200:3.910:11.227'), ('E3P.B99990002.pdb_424:5.649:5.914:8.639', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589'), ('E3P.B99990002.pdb_774:12.114:-6.864:23.897', 'E3P.B99990002.pdb_865:15.200:3.910:11.227'), ('E3P.B99990002.pdb_774:12.114:-6.864:23.897', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589'), ('E3P.B99990002.pdb_865:15.200:3.910:11.227', 'E3P.B99990002.pdb_929:13.649:-6.894:22.589')]

Thanks to all

Answer 1

If you can, just use a dictionary:

from collections import defaultdict

s = """B99990001 1 2 3 4
B99990001 1 3 3 4
B99990002 1 2 3 4
B99990002 1 3 3 4
B99990003 1 2 3 4
B99990003 1 3 3 4"""

d = defaultdict(list)
for line in s.split('\n'):
    index, values = line.split(maxsplit=1)
    d[index].append(values)

Output (dictionary d):

d = {
    'B99990003': ['1 2 3 4', '1 3 3 4'],
    'B99990001': ['1 2 3 4', '1 3 3 4'],
    'B99990002': ['1 2 3 4', '1 3 3 4'],
}

---

If you really need to use a list of lists instead of a dict, you can just convert this back to a list:

l = [['%s %s' % (index, value) for value in d[index]] for index in d]

You can sort it using sorted(l) if you prefer a sorted version.

Answer 2

If you want to have the exact same output:

from collections import OrderedDict

d = OrderedDict()
with open('file.txt') as f:
    for line in f:
        splitted = line.strip().split()
        key = splitted[0]
        if key not in d:
            d[key] = []
        d[key].append(' '.join( splitted[1:] ))

mainList = [ [key + ' ' + item for item in d[key] ] for key in d ]
print mainList

Output:

[['B99990001 1 2 3 4', 'B99990001 1 3 3 4'],
 ['B99990002 1 2 3 4', 'B99990002 1 3 3 4'],
 ['B99990003 1 2 3 4', 'B99990003 1 3 3 4']]