On Tue, Nov 1, 2011 at 11:56 PM, Dave Angel <d...@davea.name> wrote:
> On 11/01/2011 11:11 AM, lina wrote:
>>
>> On Tue, Nov 1, 2011 at 10:33 PM, Dave Angel<d...@davea.name> wrote:
>>>
>>> On 11/01/2011 10:11 AM, lina wrote:
>>>>
>>>> Hi,
>>>>
>>>> The following code (luckily) partial achieved what I wanted, but I
>>>> still have few questions:
>>>>
>>>>
>>>> #!/usr/bin/python3
>>>>
>>>> import os.path
>>>>
>>>> INFILEEXT=".txt"
>>>> OUTFILEEXT=".new"
>>>> DICTIONARYFILE="dictionary.pdb"
>>>> orig_dictionary={}
>>>> new_dictionary={}
>>>> abetaABresidues={}
>>>>
>>>> def processonefiledata(infilename):
>>>> with open(infilename,"r") as f:
>>>> for line in f:
>>>> parts=line.strip().split()
>>>> orig_dictionary[parts[0]]=parts[1]
>>>>
>>>>
>>>> def build_abetadictionary(infilename,olddict):
>>>> with open(infilename,"r") as f:
>>>> for line in f:
>>>> parts=line.strip().split()
>>>> if parts[0] != "85CUR" and (parts[0] not in
>>>> abetaABresidues.keys()):
>>>> abetaABresidues[parts[0]]=0
>>>> for residues, numbers in abetaABresidues.items():
>>>> if residues in olddict.keys():
>>>> new_dictionary[residues]=olddict[residues]
>>>> else:
>>>> new_dictionary[residues]=0
>>>> with open(base+OUTFILEEXT,"w") as f:
>>>> for residues, numbers in new_dictionary.items():
>>>> print(residues,numbers,file=f)
>>>> ## Q1: How can I sort the results, like the effect of | sort -g
>>>>
>>>> from something like:
>>>> 84ALA 12
>>>> :
>>>> :
>>>> 83ILE 28
>>>> :
>>>> :
>>>>
>>>> to
>>>> :
>>>> 83ILE 28
>>>> 84ALA 12
>>>> :
>>>
>>> Just use the sort() method of the list object. In particular, items()
>>> returns an unordered list, so it's ready to be sorted.
>>>
>>> for residues, numbers in new_dictionary.items().sort():
>>>
>>> That will sort such that residues are in sorted order.
>>
>> Thanks, but still something went wrong here,
>>
>> Traceback (most recent call last):
>> File "fill-gap.py", line 41, in<module>
>> build_abetadictionary(DICTIONARYFILE,orig_dictionary)
>> File "fill-gap.py", line 31, in build_abetadictionary
>> for residues, numbers in new_dictionary.items().sort():
>> AttributeError: 'dict_items' object has no attribute 'sort'
>>
>
> Peter fixed that one. Actually my code wasn't even right in Python 2.x, as
> the sort() method sorts in place, and doesn't return a value. His code will
> work in both 2.x and 3.x, and is thus a much better answer. I frequently
> confuse the sort method and the sorted function, and judging from this list,
> so do many others. I'm pretty good at spotting that error if someone else
> makes it ;-)
>
>
>> I have another concerns,
>> is it possible to append the output file content as a sing one,
>> such as a.new is
>> A 1
>> B 3
>>
>> b.new is
>> A 3
>> B 5
>>
>> I wish the final one like:
>>
>> A 1 3
>> B 3 5
>>
>> I will think about it. Thanks,
>
>
> No idea how you came up with a.new or b.new. Or even what they contain.
> When you say a.new is "> A 1\n> B 3\n" I've got to guess you're
> misrepresenting it.
>
> But if you have two dictionaries that use EXACTLY the same keys, and you
> want to print out approximately that way, consider [untested]
>
> def printme(dict1, dict2):
> for key in sorted(dict1.keys()):
> print(key, dict1[key], dict2[key])
>
>
> But notice that it won't print any value which has a key in dict2, but not
> in dict1. And it'll get an exception if there's a key in dict1 which is not
> in dict2.
Thanks, they shared the same keys. ^_^
>
> So what's your real problem? There are better ways to accomodate multiple
> sets of related data, and my answer doesn't help if there are 3, or 4, or 42
> dictionaries.
>
> By the way, it's usually better to separate outputting the data from
> inputting. Factoring code into separate functions makes the code more
> flexible when requirements change.
>
> --
>
> DaveA
>
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