約束解析用Perl

Question

我的目標是要轉換的包含這四種風格條目的約束文件：

T10N-Y9C-?: (111.699, 172.003, 26.159) L23CG/L50CG(notL23CG) 
?-?-L147CB: (119.779, 178.656, 42.642) D107C/A77C/D110C 
T89N-V88C-?: (120.308, 175.768, 130.859) orS106C_H41CG/F26CE1 
G149N-G149CA-R109CD: (105.793, 45.249, 43.114) 

隨着輸出，其中每個款式輸出爲：

assign (resid 9 and name C) (resid 23 and name CG or resid 50 and name CG) 3.5 2.5 8.5 ! T10N-Y9C-?: (111.699, 172.003, 26.159) L23CG/L50CG(notL23CG) 
assign (resid 107 and name C or resid 77 and name C or resid 110 and name C) (resid 147 and name CB) 3.5 2.5 8.5 ! ?-?-L147CB: (119.779, 178.656, 42.642) D107C/A77C/D110C 
assign (resid 88 and name C or resid 106 C) (resid 41 and name CG or resid 26 and name CE1) 3.5 2.5 8.5 ! T89N-V88C-?: (120.308, 175.768, 130.859) orS106C_H41CG/F26CE1 
assign (resid 149 and name CA) (resid 109 and name CD) 3.5 2.5 8.5 ! G149N-G149CA-R109CD: (105.793, 45.249, 43.114) 

我有嘗試了很多perl解決方案，但我被卡住了。我能夠與the following perl script第一風格剋制在回答jaypal建議轉換爲my previous question：

#!/usr/bin/perl 

use strict; 
use warnings; 
use autodie; 
# 

open my $fh, '<', $ARGV[0]; 

while (<$fh>) { 
    my @values = map { /.(\d+)(\w+)/; $1, $2 } split '/', (split)[-1]; 
    my ($resid, $name) = /^[^-]+-.(\d+)(\w+)-/; 
    print "assign (resid $resid and name $name) ("; 
    print join (" or ", 
     map { "resid $values[$_] and name $values[$_ + 1]" } 
     grep { not $_ % 2 } 0 .. $#values 
    ); 
    print ") 3.5 2.5 8.5 ! $_"; 
} 

Perl是首選，但是Python和awk有其他想法我有這個。請幫忙，我有一個巨大的剋制文件。

Answer 1

你的問題太廣泛了，而且還沒有足夠的信息能夠合理地幫助你。

此外，您所顯示的唯一代碼已在an answer中提供給您以前的問題：Parsing restraints with bash and awk。這並沒有顯示出足夠的努力期望別人提供很多幫助。

但是，從一般意義上說，我會建議你把你的問題分解成你知道如何解析的部分。例如，數據行中有三個明顯的部分。創建一個正則表達式來首先將它們分開。然後，您可以根據您知道的任何格式化規則逐個攻擊這些子問題中的每一個。

以下演示了這種初始解析方法。

use strict; 
use warnings; 
use autodie; 

while (<DATA>) { 
    chomp; 
    # Separate 3 obvious sections of each line 
    my ($name, $numbers, $data) = /^([^:]+): \s* \(([\d\s.,-]+) \) \s* (\S*)/x 
     or die "Unrecognized format at line $.: $_"; 

    # Parse numbers list into an array 
    my @numbers = split /,\s*/, $numbers; 

    # Output current variables - More parsing to come 
    print <<"END_TEXT"; 
Line $. 
    Name = '$name' 
    Numbers = '@numbers' 
    Data = '$data' 
END_TEXT 
} 

__DATA__ 
T10N-Y9C-?: (111.699, 172.003, 26.159) L23CG/L50CG(notL23CG) 
?-?-L147CB: (119.779, 178.656, 42.642) D107C/A77C/D110C 
T89N-V88C-?: (120.308, 175.768, 130.859) orS106C_H41CG/F26CE1 
G149N-G149CA-R109CD: (105.793, 45.249, 43.114) 

輸出：

Line 1 
    Name = 'T10N-Y9C-?' 
    Numbers = '111.699 172.003 26.159' 
    Data = 'L23CG/L50CG(notL23CG)' 
Line 2 
    Name = '?-?-L147CB' 
    Numbers = '119.779 178.656 42.642' 
    Data = 'D107C/A77C/D110C' 
Line 3 
    Name = 'T89N-V88C-?' 
    Numbers = '120.308 175.768 130.859' 
    Data = 'orS106C_H41CG/F26CE1' 
Line 4 
    Name = 'G149N-G149CA-R109CD' 
    Numbers = '105.793 45.249 43.114' 
    Data = ''