1

我创建了一个脚本,可以在 XML 格式的 Blastx 输出文件中成功搜索关键字(由用户指定)。现在,我需要将对齐标题中包含关键字的那些记录(查询、命中、分数、evalue 等)写入新文件。

我为每个查询标题、命中标题、电子值和对齐长度创建了单独的列表,但似乎无法将它们写入新文件。

  • 问题 #1:如果 Python 出错,并且其中一个列表缺少值……怎么办?然后所有其他列表将提供有关查询的错误信息(“线滑点”,如果您愿意的话......)。

  • 问题 #2:即使 Python 没有错误,并且所有列表的长度相同,我如何将它们写入文件,以便每个列表中的第一项相互关联(因此,项目 #10 来自每个列表也关联?)我应该创建一个字典吗?

  • 问题#3:字典只有一个键值,如果我的查询有几个不同的命中怎么办?不确定它是否会被覆盖或跳过,或者它是否会出错。有什么建议么?我当前的脚本:

    from Bio.Blast import NCBIWWW
    from Bio.Blast import NCBIXML
    import re
    
    #obtain full path to blast output file (*.xml)
    outfile = input("Full path to Blast output file (XML format only): ")
    
    #obtain string to search for
    search_string = input("String to search for: ")
    
    #open the output file
    result_handle = open(outfile)
    
    #parse the blast record
    blast_records = NCBIXML.parse(result_handle)
    
    #initialize lists
    query_list=[]
    hit_list=[]
    expect_list=[]
    length_list=[]
    
    #create 'for loop' that loops through each HIGH SCORING PAIR in each ALIGNMENT from each RECORD
    for record in blast_records:
            for alignment in record.alignments:     #for description in record.descriptions???
                    for hsp in alignment.hsps:      #for title in description.title???
    
                            #search for designated string
                            search = re.search(search_string, alignment.title)
    
                            #if search comes up with nothing, end
                            if search is None:
                                    print ("Search string not found.")
                                    break
    
                            #if search comes up with something, add it to a list of entries that match search string
                            else:
    
                                    #option to include an 'exception' (if it finds keyword then DOES NOT add that entry to list)
                                    if search is "trichomonas" or "entamoeba" or "arabidopsis":
                                            print ("found exception.")
                                            break
                                    else:
    
                                            query_list.append(record.query)
                                            hit_list.append(alignment.title)
                                            expect_list.append(expect_val)
                                            length_list.append(length)
    
                                            #explicitly convert 'variables' ['int' object or 'float'] to strings
                                            length = str(alignment.length)
                                            expect_val = str(hsp.expect)
    
                                            #print ("\nquery name: " + record.query)
                                            #print ("alignment title: " + alignment.title)
                                            #print ("alignment length: " + length)
                                            #print ("expect value: " + expect_val)
                                            #print ("\n***Alignment***\n")
                                            #print (hsp.query)
                                            #print (hsp.match)
                                            #print (hsp.sbjct + "\n\n")
    
    
                                            if query_len is not hit_len is not expect_len is not length_len:
                                                    print ("list lengths don't match!")
                                                    break
                                            else:
    
                                                    qrylen = len(query_list)
                                                    query_len = str(qrylen)
                                                    hitlen = len(hit_list)
                                                    hit_len = str(hitlen)
                                                    expectlen = len(expect_list)
                                                    expect_len = str(expectlen)
                                                    lengthlen = len(length_list)
                                                    length_len = str(lengthlen)
                                                    outpath = str(outfile)
    
                                                    #create new file
                                                    outfile = open("__Blast_Parse_Search.txt", "w")
                                                    outfile.write("File contains entries from [" + outpath + "] that contain [" + search_string + "]")
                                                    outfile.close
    
                                                    #write list to file
                                                    i = 0
                                                    list_len = int(query_len)
                                                    for i in range(0, list_len):
    
                                                            #append new file
                                                            outfile = open("__Blast_Parse_Search.txt", "a")
                                                            outfile.writelines(query_list + hit_list + expect_list + length_list)
                                                            i = i + 1
    
                                                    #write to disk, close file
                                                    outfile.flush()
                                                    outfile.close
    
    print ("query list length " + query_len)
    print ("hit list length " + hit_len)
    print ("expect list length " + expect_len)
    print ("length list length " + length_len + "\n\n")
    print ("first record: " + query_list[0] + " " + hit_list[0] + " " + expect_list[0] + " " + length_list[0])
    print ("last record: " + query_list[-1] + " " + hit_list[-1] + " " + expect_list[-1] + " " + length_list[-1])
    print ("\nFinished.\n")
    
4

1 回答 1

0

如果我正确理解了您的问题,您可以使用默认值作为线滑点,例如:

try:
  x(list)
except exception:
  append_default_value(list)

http://docs.python.org/tutorial/errors.html#handling-exceptions

或者使用元组作为字典键(0,1,1),例如使用 get 方法作为默认值。

http://docs.python.org/py3k/library/stdtypes.html#mapping-types-dict

如果您需要在输出文件中维护数据结构,您可以尝试使用搁置:

或者您可以在每条记录之后附加某种类型的引用,并为每条记录提供一个唯一的 ID,例如“ #32{somekey:value}#21#22#44#

同样,您可以使用元组拥有多个键。

我不知道这是否有帮助,您可能会明确说明您的代码的哪些部分有问题。Likex()给了我输出y,但我期望z.

于 2012-08-22T21:52:09.327 回答