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     3 <title>MayaChemTools:Code:FileIO::FingerprintsSDFileIO.pm</title>
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    12 <br/>
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    13 <pre>
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    14 <a name="package-FileIO::FingerprintsSDFileIO-"></a>   1 <span class="k">package </span><span class="i">FileIO::FingerprintsSDFileIO</span><span class="sc">;</span>
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    15    2 <span class="c">#</span>
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    16    3 <span class="c"># $RCSfile: FingerprintsSDFileIO.pm,v $</span>
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    17    4 <span class="c"># $Date: 2015/02/28 20:48:43 $</span>
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    18    5 <span class="c"># $Revision: 1.18 $</span>
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    19    6 <span class="c">#</span>
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    20    7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span>
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    21    8 <span class="c">#</span>
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    22    9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span>
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    23   10 <span class="c">#</span>
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    24   11 <span class="c"># This file is part of MayaChemTools.</span>
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    25   12 <span class="c">#</span>
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    26   13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span>
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    27   14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span>
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    28   15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span>
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    29   16 <span class="c"># later version.</span>
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    30   17 <span class="c">#</span>
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    31   18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span>
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    32   19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span>
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    33   20 <span class="c"># for a particular purpose.  See the GNU Lesser General Public License for more</span>
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    34   21 <span class="c"># details.</span>
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    35   22 <span class="c">#</span>
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    36   23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span>
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    37   24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span>
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    38   25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span>
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    39   26 <span class="c"># Boston, MA, 02111-1307, USA.</span>
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    40   27 <span class="c">#</span>
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    41   28 
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    42   29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span>
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    43   30 <span class="k">use</span> <span class="w">Carp</span><span class="sc">;</span>
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    44   31 <span class="k">use</span> <span class="w">Exporter</span><span class="sc">;</span>
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    45   32 <span class="k">use</span> <span class="w">Scalar::Util</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    46   33 <span class="k">use</span> <span class="w">TextUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    47   34 <span class="k">use</span> <span class="w">FileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    48   35 <span class="k">use</span> <span class="w">SDFileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    49   36 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsStringUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    50   37 <span class="k">use</span> <span class="w">FileIO::FileIO</span><span class="sc">;</span>
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    51   38 
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    52   39 <span class="k">use</span> <span class="w">vars</span> <span class="q">qw(@ISA @EXPORT @EXPORT_OK %EXPORT_TAGS)</span><span class="sc">;</span>
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    53   40 
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    54   41 <span class="i">@ISA</span> = <span class="q">qw(FileIO::FileIO Exporter)</span><span class="sc">;</span>
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    55   42 <span class="i">@EXPORT</span> = <span class="q">qw()</span><span class="sc">;</span>
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    56   43 <span class="i">@EXPORT_OK</span> = <span class="q">qw(IsFingerprintsSDFile)</span><span class="sc">;</span>
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    57   44 
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    58   45 <span class="i">%EXPORT_TAGS</span> = <span class="s">(</span><span class="w">all</span>  <span class="cm">=></span> <span class="s">[</span><span class="i">@EXPORT</span><span class="cm">,</span> <span class="i">@EXPORT_OK</span><span class="s">]</span><span class="s">)</span><span class="sc">;</span>
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    59   46 
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    60   47 <span class="c"># Setup class variables...</span>
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    61   48 <span class="k">my</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="sc">;</span>
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    62   49 <span class="i">_InitializeClass</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    63   50 
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    64   51 <span class="c"># Class constructor...</span>
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    65 <a name="new-"></a>  52 <span class="k">sub </span><span class="m">new</span> <span class="s">{</span>
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    66   53   <span class="k">my</span><span class="s">(</span><span class="i">$Class</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
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    67   54 
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    68   55   <span class="c"># Initialize object...</span>
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    69   56   <span class="k">my</span> <span class="i">$This</span> = <span class="i">$Class</span><span class="i">->SUPER::new</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    70   57   <span class="k">bless</span> <span class="i">$This</span><span class="cm">,</span> <span class="k">ref</span><span class="s">(</span><span class="i">$Class</span><span class="s">)</span> || <span class="i">$Class</span><span class="sc">;</span>
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    71   58   <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIO</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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    72   59 
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    73   60   <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span>
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    74   61 
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    75   62   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
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    76   63 <span class="s">}</span>
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    77   64 
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    78   65 <span class="c"># Initialize object data...</span>
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    79   66 <span class="c">#</span>
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    80 <a name="_InitializeFingerprintsSDFileIO-"></a>  67 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIO</span> <span class="s">{</span>
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    81   68   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
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    82   69 
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    83   70   <span class="c"># Fingerprints string data format during read/write...</span>
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    84   71   <span class="c">#</span>
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    85   72   <span class="c"># For file read:</span>
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    86   73   <span class="c">#</span>
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    87   74   <span class="c"># AutoDetect  - automatically detect format of fingerprints string</span>
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    88   75   <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span>
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    89   76   <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span>
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    90   77   <span class="c">#</span>
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    91   78   <span class="c"># Default value: AutoDetect</span>
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    92   79   <span class="c">#</span>
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    93   80   <span class="c"># For file write:</span>
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    94   81   <span class="c">#</span>
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    95   82   <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span>
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    96   83   <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span>
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    97   84   <span class="c">#</span>
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    98   85   <span class="c"># Default value: undef</span>
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    99   86   <span class="c">#</span>
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   100   87   <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="k">undef</span><span class="sc">;</span>
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   101   88 
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   102   89   <span class="c"># For file read:</span>
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   103   90   <span class="c">#</span>
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   104   91   <span class="c">#   o Fingerprints bit-vector and vector object for current fingerprints string</span>
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   105   92   <span class="c">#</span>
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   106   93   <span class="c"># For file write:</span>
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   107   94   <span class="c">#</span>
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   108   95   <span class="c">#   o Fingerprints bit-vector and vector object for current fingerprints string</span>
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   109   96   <span class="c">#   o Any supported fingerprints object: PathLengthFingerprints, ExtendedConnectivity, and so on.</span>
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   110   97   <span class="c">#</span>
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   111   98   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span>
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   112   99 
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   113  100   <span class="c"># Fingerprints SD file data field label during read/write</span>
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   114  101   <span class="c">#</span>
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   115  102   <span class="c"># For file read:</span>
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   116  103   <span class="c">#</span>
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   117  104   <span class="c"># Value of AutoDetect implies use first data field containing the word Fingerprints in its</span>
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   118  105   <span class="c"># data field label to retrieve fingerprints string data. Othwewise, a valid data field name</span>
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   119  106   <span class="c"># must be specified.</span>
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   120  107   <span class="c">#</span>
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   121  108   <span class="c"># For file write:</span>
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   122  109   <span class="c">#</span>
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   123  110   <span class="c"># Data field label to use for writing fingerprints string. Default: Fingerprints</span>
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   124  111   <span class="c">#</span>
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   125  112   <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span>
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   126  113 
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   127  114   <span class="c"># Fingepritns string for current line during read/write...</span>
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   128  115   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span>
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   129  116 
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   130  117   <span class="c"># First compound data string read/write...</span>
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   131  118   <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">1</span><span class="sc">;</span>
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   132  119 
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   133  120   <span class="c"># Current fingerprints string data compound number during read/write...</span>
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   134  121   <span class="i">$This</span>->{<span class="w">CompoundNum</span>} = <span class="n">0</span><span class="sc">;</span>
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   135  122 
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   136  123   <span class="c"># Compound data string during read/write...</span>
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   137  124   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span>
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   138  125 
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   139  126   <span class="c"># Initialize parameters for read...</span>
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   140  127   <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIORead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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   141  128 
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   142  129   <span class="c"># Initialize parameters for write...</span>
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   143  130   <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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   144  131 
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   145  132   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
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   146  133 <span class="s">}</span>
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   147  134 
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   148  135 <span class="c"># Initialize class ...</span>
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   149 <a name="_InitializeClass-"></a> 136 <span class="k">sub </span><span class="m">_InitializeClass</span> <span class="s">{</span>
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   150  137   <span class="c">#Class name...</span>
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   151  138   <span class="i">$ClassName</span> = <span class="w">__PACKAGE__</span><span class="sc">;</span>
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   152  139 
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   153  140 <span class="s">}</span>
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   154  141 
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   155  142 <span class="c"># Initialize object data for reading fingerprints SD file...</span>
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   156  143 <span class="c">#</span>
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   157 <a name="_InitializeFingerprintsSDFileIORead-"></a> 144 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIORead</span> <span class="s">{</span>
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   158  145   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
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   159  146 
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   160  147   <span class="c"># Compound ID mode to use for retrieving compound IDs for fingerprints...</span>
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   161  148   <span class="c">#</span>
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   162  149   <span class="c"># Specify how to generate compound IDs: use a SD file datafield value; use molname line from</span>
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   163  150   <span class="c"># SD file; generate a sequential ID with specific prefix; use combination of both MolName and</span>
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   164  151   <span class="c"># LabelPrefix with usage of LabelPrefix values for empty molname lines.</span>
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   165  152   <span class="c">#</span>
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   166  153   <span class="c"># Possible values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix. Default: LabelPrefix.</span>
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   167  154   <span class="c">#</span>
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   168  155   <span class="c"># For MolNameAndLabelPrefix value of CompoundIDMode, molname line in SD file takes precedence over</span>
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   169  156   <span class="c"># sequential compound IDs generated using LabelPrefix and only empty molname values are replaced</span>
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   170  157   <span class="c"># with sequential compound IDs.</span>
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   171  158   <span class="c">#</span>
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   172  159   <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="q">'LabelPrefix'</span><span class="sc">;</span>
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   173  160 
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   174  161   <span class="c">#</span>
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   175  162   <span class="c"># Compound ID data field label name whose value is used as compound ID during DatafField value of</span>
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   176  163   <span class="c"># CompoundIDMode</span>
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   177  164   <span class="c">#</span>
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   178  165   <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span>
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   179  166 
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   180  167   <span class="c"># A prefix string used for generating compound IDs like LabelPrefixString<Number> during LabelPrefix</span>
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   181  168   <span class="c"># or MolNameOrLabelPrefix value of  CompoundIDMode. Default value, Cmpd, generates compound IDs</span>
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   182  169   <span class="c"># which look like Cmpd<Number>.</span>
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   183  170   <span class="c">#</span>
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   184  171   <span class="i">$This</span>->{<span class="w">CompoundIDPrefix</span>} = <span class="q">'Cmpd'</span><span class="sc">;</span>
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   185  172 
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   186  173   <span class="c"># By default, the fingerprints data corresponding to FingerprintsCol is assumed to</span>
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   187  174   <span class="c"># be valid and no validation is performed before generating fingerprints objects...</span>
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   188  175   <span class="c">#</span>
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   189  176   <span class="i">$This</span>->{<span class="w">ValidateData</span>} = <span class="n">1</span><span class="sc">;</span>
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   190  177 
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   191  178   <span class="c"># Level of detail to print during validation of data for invalid or missing data...</span>
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   192  179   <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="n">1</span><span class="sc">;</span>
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   193  180 
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   194  181   <span class="c"># Number of missing and invalid fingerprints string data compound strings...</span>
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   195  182   <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} = <span class="n">0</span><span class="sc">;</span>
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   196  183   <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} = <span class="n">0</span><span class="sc">;</span>
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   197  184 
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   198  185   <span class="c"># Compound ID for current fingerprints string...</span>
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   199  186   <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span>
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   200  187 
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   201  188   <span class="c"># Compound data field labels and values map for current compound data...</span>
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   202  189   <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
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   203  190 
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   204  191   <span class="c"># Status of data in fingerprints SD file...</span>
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   205  192   <span class="i">$This</span>->{<span class="w">ValidFileData</span>} = <span class="n">0</span><span class="sc">;</span>
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   206  193 
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   207  194   <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span>
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   208  195   <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span>
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   209  196 
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   210  197   <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
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   211  198 
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   212  199   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
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   213  200 <span class="s">}</span>
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   214  201 
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   215  202 <span class="c"># Initialize object data for writing fingerprints SD file...</span>
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   216  203 <span class="c">#</span>
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   217 <a name="_InitializeFingerprintsSDFileIOWrite-"></a> 204 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWrite</span> <span class="s">{</span>
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   218  205   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
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| 
 | 
   219  206 
 | 
| 
 | 
   220  207   <span class="c"># Fingerprints bit vector string format...</span>
 | 
| 
 | 
   221  208   <span class="c">#</span>
 | 
| 
 | 
   222  209   <span class="c"># Possible values: BinaryString or HexadecimalString [Default]</span>
 | 
| 
 | 
   223  210   <span class="c">#</span>
 | 
| 
 | 
   224  211   <span class="c"># Default BitStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitStringFormat.</span>
 | 
| 
 | 
   225  212   <span class="c">#</span>
 | 
| 
 | 
   226  213   <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   227  214 
 | 
| 
 | 
   228  215   <span class="c"># Bits order in fingerprints bit vector string...</span>
 | 
| 
 | 
   229  216   <span class="c">#</span>
 | 
| 
 | 
   230  217   <span class="c"># Ascending - First bit in each byte as the lowest bit [Default]</span>
 | 
| 
 | 
   231  218   <span class="c"># Descending - First bit in each byte as the highest bit</span>
 | 
| 
 | 
   232  219   <span class="c">#</span>
 | 
| 
 | 
   233  220   <span class="c"># Default BitsOrder is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitsOrder.</span>
 | 
| 
 | 
   234  221   <span class="c">#</span>
 | 
| 
 | 
   235  222   <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   236  223 
 | 
| 
 | 
   237  224   <span class="c"># Fingerprints vector string format...</span>
 | 
| 
 | 
   238  225   <span class="c">#</span>
 | 
| 
 | 
   239  226   <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span>
 | 
| 
 | 
   240  227   <span class="c">#</span>
 | 
| 
 | 
   241  228   <span class="c"># Default VectorStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultVectorStringFormat.</span>
 | 
| 
 | 
   242  229   <span class="c"># For fingerprints vector object containing vector NumericalValues, it corresponds to IDsAndValuesString; othwerwise,</span>
 | 
| 
 | 
   243  230   <span class="c"># it's set to ValuesString.</span>
 | 
| 
 | 
   244  231   <span class="c">#</span>
 | 
| 
 | 
   245  232   <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   246  233 
 | 
| 
 | 
   247  234   <span class="c"># Overwriting existing file...</span>
 | 
| 
 | 
   248  235   <span class="i">$This</span>->{<span class="w">Overwrite</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   249  236 
 | 
| 
 | 
   250  237   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   251  238 <span class="s">}</span>
 | 
| 
 | 
   252  239 
 | 
| 
 | 
   253  240 <span class="c"># Initialize object values...</span>
 | 
| 
 | 
   254 <a name="_InitializeFingerprintsSDFileIOProperties-"></a> 241 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOProperties</span> <span class="s">{</span>
 | 
| 
 | 
   255  242   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   256  243 
 | 
| 
 | 
   257  244   <span class="c"># All other property names and values along with all Set/Get<PropertyName> methods</span>
 | 
| 
 | 
   258  245   <span class="c"># are implemented on-demand using ObjectProperty class.</span>
 | 
| 
 | 
   259  246 
 | 
| 
 | 
   260  247   <span class="k">my</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$MethodName</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   261  248   <span class="k">while</span> <span class="s">(</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="k">each</span>  <span class="i">%NamesAndValues</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   262  249     <span class="i">$MethodName</span> = <span class="q">"Set${Name}"</span><span class="sc">;</span>
 | 
| 
 | 
   263  250     <span class="i">$This</span><span class="i">->$MethodName</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   264  251   <span class="s">}</span>
 | 
| 
 | 
   265  252 
 | 
| 
 | 
   266  253   <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   267  254     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying file name..."</span><span class="sc">;</span>
 | 
| 
 | 
   268  255   <span class="s">}</span>
 | 
| 
 | 
   269  256 
 | 
| 
 | 
   270  257   <span class="c"># Make sure it's a fingerprints file...</span>
 | 
| 
 | 
   271  258   <span class="i">$Name</span> = <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="sc">;</span>
 | 
| 
 | 
   272  259   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->IsFingerprintsSDFile</span><span class="s">(</span><span class="i">$Name</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   273  260     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $Name, doesn't appear to be fingerprints format..."</span><span class="sc">;</span>
 | 
| 
 | 
   274  261   <span class="s">}</span>
 | 
| 
 | 
   275  262 
 | 
| 
 | 
   276  263   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->GetMode</span><span class="s">(</span><span class="s">)</span> =~ <span class="q">/^Read$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   277  264     <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOReadProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   278  265   <span class="s">}</span>
 | 
| 
 | 
   279  266   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span><span class="i">->GetMode</span><span class="s">(</span><span class="s">)</span> =~ <span class="q">/^(Write|Append)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   280  267     <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWriteProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   281  268   <span class="s">}</span>
 | 
| 
 | 
   282  269 
 | 
| 
 | 
   283  270   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   284  271 <span class="s">}</span>
 | 
| 
 | 
   285  272 
 | 
| 
 | 
   286  273 <span class="c"># Initialize object properties for reading fingerprints SD file...</span>
 | 
| 
 | 
   287  274 <span class="c">#</span>
 | 
| 
 | 
   288 <a name="_InitializeFingerprintsSDFileIOReadProperties-"></a> 275 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOReadProperties</span> <span class="s">{</span>
 | 
| 
 | 
   289  276   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   290  277 
 | 
| 
 | 
   291  278   <span class="c"># Set default value for FingerprintsStringMode...</span>
 | 
| 
 | 
   292  279   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   293  280     <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
 | 
| 
 | 
   294  281   <span class="s">}</span>
 | 
| 
 | 
   295  282 
 | 
| 
 | 
   296  283   <span class="c"># Set default value for FingerprintsFieldLabel...</span>
 | 
| 
 | 
   297  284   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   298  285     <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span>
 | 
| 
 | 
   299  286   <span class="s">}</span>
 | 
| 
 | 
   300  287 
 | 
| 
 | 
   301  288   <span class="c"># Check compound ID data field...</span>
 | 
| 
 | 
   302  289   <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> && <span class="s">(</span>!<span class="k">defined</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   303  290     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: Compound ID data field lable must be specifed using \"CompoundIDFieldLabel\" during \"DataField\" value of \"CompoundIDMode\"..."</span><span class="sc">;</span>
 | 
| 
 | 
   304  291   <span class="s">}</span>
 | 
| 
 | 
   305  292 
 | 
| 
 | 
   306  293   <span class="i">$This</span><span class="i">->_PrepareForReadingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   307  294 
 | 
| 
 | 
   308  295   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   309  296 <span class="s">}</span>
 | 
| 
 | 
   310  297 
 | 
| 
 | 
   311  298 <span class="c"># Initialize object properties for writing fingerprints SD file...</span>
 | 
| 
 | 
   312  299 <span class="c">#</span>
 | 
| 
 | 
   313 <a name="_InitializeFingerprintsSDFileIOWriteProperties-"></a> 300 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWriteProperties</span> <span class="s">{</span>
 | 
| 
 | 
   314  301   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   315  302 
 | 
| 
 | 
   316  303   <span class="c"># Check FingerprintsStringMode value...</span>
 | 
| 
 | 
   317  304   <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">FingerprintsStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   318  305     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying FingerprintsStringMode..."</span><span class="sc">;</span>
 | 
| 
 | 
   319  306   <span class="s">}</span>
 | 
| 
 | 
   320  307 
 | 
| 
 | 
   321  308   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} !~ <span class="q">/^(FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   322  309     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: FingerprintsStringMode value, $This->{FingerprintsStringMode}, is not valid; Supported values for write/append: FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span>
 | 
| 
 | 
   323  310   <span class="s">}</span>
 | 
| 
 | 
   324  311 
 | 
| 
 | 
   325  312   <span class="c"># Set default value for FingerprintsFieldLabel...</span>
 | 
| 
 | 
   326  313   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   327  314     <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'Fingerprints'</span><span class="sc">;</span>
 | 
| 
 | 
   328  315   <span class="s">}</span>
 | 
| 
 | 
   329  316 
 | 
| 
 | 
   330  317   <span class="i">$This</span><span class="i">->_PrepareForWritingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   331  318 
 | 
| 
 | 
   332  319   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   333  320 <span class="s">}</span>
 | 
| 
 | 
   334  321 
 | 
| 
 | 
   335  322 <span class="c"># Set FingerprintsStringMode...</span>
 | 
| 
 | 
   336  323 <span class="c">#</span>
 | 
| 
 | 
   337 <a name="SetFingerprintsStringMode-"></a> 324 <span class="k">sub </span><span class="m">SetFingerprintsStringMode</span> <span class="s">{</span>
 | 
| 
 | 
   338  325   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   339  326 
 | 
| 
 | 
   340  327   <span class="c"># AutoDetect - automatically detect format of fingerprints string</span>
 | 
| 
 | 
   341  328   <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span>
 | 
| 
 | 
   342  329   <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span>
 | 
| 
 | 
   343  330 
 | 
| 
 | 
   344  331   <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(AutoDetect|FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   345  332     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: FingerprintsStringMode value, $Value, is not valid; Supported values: AutoDetect, FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span>
 | 
| 
 | 
   346  333   <span class="s">}</span>
 | 
| 
 | 
   347  334 
 | 
| 
 | 
   348  335   <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   349  336 
 | 
| 
 | 
   350  337   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   351  338 <span class="s">}</span>
 | 
| 
 | 
   352  339 
 | 
| 
 | 
   353  340 <span class="c"># Set CompoundIDMode...</span>
 | 
| 
 | 
   354  341 <span class="c">#</span>
 | 
| 
 | 
   355 <a name="SetCompoundIDMode-"></a> 342 <span class="k">sub </span><span class="m">SetCompoundIDMode</span> <span class="s">{</span>
 | 
| 
 | 
   356  343   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   357  344 
 | 
| 
 | 
   358  345   <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(DataField|MolName|LabelPrefix|MolNameOrLabelPrefix)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   359  346     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: CompoundIDMode value, $Value, is not valid; Supported values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix..."</span><span class="sc">;</span>
 | 
| 
 | 
   360  347   <span class="s">}</span>
 | 
| 
 | 
   361  348 
 | 
| 
 | 
   362  349   <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   363  350 
 | 
| 
 | 
   364  351   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   365  352 <span class="s">}</span>
 | 
| 
 | 
   366  353 
 | 
| 
 | 
   367  354 <span class="c"># Set DetailLevel...</span>
 | 
| 
 | 
   368  355 <span class="c">#</span>
 | 
| 
 | 
   369 <a name="SetDetailLevel-"></a> 356 <span class="k">sub </span><span class="m">SetDetailLevel</span> <span class="s">{</span>
 | 
| 
 | 
   370  357   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   371  358 
 | 
| 
 | 
   372  359   <span class="k">if</span> <span class="s">(</span>!<span class="i">TextUtil::IsPositiveInteger</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   373  360     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetDetailLevel: DetailLevel value, $Value, is not valid; Supported values: > 0..."</span><span class="sc">;</span>
 | 
| 
 | 
   374  361   <span class="s">}</span>
 | 
| 
 | 
   375  362 
 | 
| 
 | 
   376  363   <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   377  364 
 | 
| 
 | 
   378  365   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   379  366 <span class="s">}</span>
 | 
| 
 | 
   380  367 
 | 
| 
 | 
   381  368 <span class="c"># Set BitStringFormat...</span>
 | 
| 
 | 
   382  369 <span class="c">#</span>
 | 
| 
 | 
   383 <a name="SetBitStringFormat-"></a> 370 <span class="k">sub </span><span class="m">SetBitStringFormat</span> <span class="s">{</span>
 | 
| 
 | 
   384  371   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   385  372 
 | 
| 
 | 
   386  373   <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(BinaryString|HexadecimalString)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   387  374     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitStringFormat: BitStringFormat value, $Value, is not valid; Supported values: BinaryString or HexadecimalString..."</span><span class="sc">;</span>
 | 
| 
 | 
   388  375   <span class="s">}</span>
 | 
| 
 | 
   389  376 
 | 
| 
 | 
   390  377   <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   391  378 
 | 
| 
 | 
   392  379   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   393  380 <span class="s">}</span>
 | 
| 
 | 
   394  381 
 | 
| 
 | 
   395  382 <span class="c"># Set BitsOrder...</span>
 | 
| 
 | 
   396  383 <span class="c">#</span>
 | 
| 
 | 
   397 <a name="SetBitsOrder-"></a> 384 <span class="k">sub </span><span class="m">SetBitsOrder</span> <span class="s">{</span>
 | 
| 
 | 
   398  385   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   399  386 
 | 
| 
 | 
   400  387   <span class="c"># Ascending - First bit in each byte as the lowest bit</span>
 | 
| 
 | 
   401  388   <span class="c"># Descending - First bit in each byte as the highest bit</span>
 | 
| 
 | 
   402  389   <span class="c">#</span>
 | 
| 
 | 
   403  390   <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(Ascending|Descending)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   404  391     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitsOrder: FingerprintsStringMode value, $Value, is not valid; Supported values: Ascending or Descending..."</span><span class="sc">;</span>
 | 
| 
 | 
   405  392   <span class="s">}</span>
 | 
| 
 | 
   406  393 
 | 
| 
 | 
   407  394   <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   408  395 
 | 
| 
 | 
   409  396   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   410  397 <span class="s">}</span>
 | 
| 
 | 
   411  398 
 | 
| 
 | 
   412  399 <span class="c"># Set VectorStringFormat...</span>
 | 
| 
 | 
   413  400 <span class="c">#</span>
 | 
| 
 | 
   414 <a name="SetVectorStringFormat-"></a> 401 <span class="k">sub </span><span class="m">SetVectorStringFormat</span> <span class="s">{</span>
 | 
| 
 | 
   415  402   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   416  403 
 | 
| 
 | 
   417  404   <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span>
 | 
| 
 | 
   418  405 
 | 
| 
 | 
   419  406   <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(IDsAndValuesString|IDsAndValuesPairsString|ValuesAndIDsString|ValuesAndIDsPairsString|ValuesString)$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   420  407     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetVectorStringFormat: FingerprintsStringMode value, $Value, is not valid; Supported values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, or ValuesString..."</span><span class="sc">;</span>
 | 
| 
 | 
   421  408   <span class="s">}</span>
 | 
| 
 | 
   422  409 
 | 
| 
 | 
   423  410   <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span>
 | 
| 
 | 
   424  411 
 | 
| 
 | 
   425  412   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   426  413 <span class="s">}</span>
 | 
| 
 | 
   427  414 
 | 
| 
 | 
   428  415 <span class="c"># Get compound string for current compound with optional removal of fingerprints data..</span>
 | 
| 
 | 
   429  416 <span class="c">#</span>
 | 
| 
 | 
   430 <a name="GetCompoundString-"></a> 417 <span class="k">sub </span><span class="m">GetCompoundString</span> <span class="s">{</span>
 | 
| 
 | 
   431  418   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$RemoveFingerprintsData</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   432  419 
 | 
| 
 | 
   433  420   <span class="i">$RemoveFingerprintsData</span> = <span class="k">defined</span> <span class="i">$RemoveFingerprintsData</span> ? <span class="i">$RemoveFingerprintsData</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   434  421 
 | 
| 
 | 
   435  422   <span class="k">if</span> <span class="s">(</span><span class="i">$RemoveFingerprintsData</span> && <span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   436  423     <span class="k">return</span> <span class="i">SDFileUtil::RemoveCmpdDataHeaderLabelAndValue</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   437  424   <span class="s">}</span>
 | 
| 
 | 
   438  425 
 | 
| 
 | 
   439  426   <span class="k">return</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span>
 | 
| 
 | 
   440  427 <span class="s">}</span>
 | 
| 
 | 
   441  428 
 | 
| 
 | 
   442  429 <span class="c"># Set compound string for current compound..</span>
 | 
| 
 | 
   443  430 <span class="c">#</span>
 | 
| 
 | 
   444 <a name="SetCompoundString-"></a> 431 <span class="k">sub </span><span class="m">SetCompoundString</span> <span class="s">{</span>
 | 
| 
 | 
   445  432   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   446  433 
 | 
| 
 | 
   447  434   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span>
 | 
| 
 | 
   448  435 
 | 
| 
 | 
   449  436   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   450  437 <span class="s">}</span>
 | 
| 
 | 
   451  438 
 | 
| 
 | 
   452  439 <span class="c"># Get fingerprints object for current compound using fingerprints, fingerprints bit-vector</span>
 | 
| 
 | 
   453  440 <span class="c"># fingerprints vector object. Fingerprints object correspond to any of supported fingerprints</span>
 | 
| 
 | 
   454  441 <span class="c"># objects such as PathLengthFingerprints, ExtendedConnectivity, and so on.</span>
 | 
| 
 | 
   455  442 <span class="c">#</span>
 | 
| 
 | 
   456 <a name="GetFingerprints-"></a> 443 <span class="k">sub </span><span class="m">GetFingerprints</span> <span class="s">{</span>
 | 
| 
 | 
   457  444   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   458  445 
 | 
| 
 | 
   459  446   <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="sc">;</span>
 | 
| 
 | 
   460  447 <span class="s">}</span>
 | 
| 
 | 
   461  448 
 | 
| 
 | 
   462  449 <span class="c"># Set fingerprints object for current compound...</span>
 | 
| 
 | 
   463  450 <span class="c">#</span>
 | 
| 
 | 
   464 <a name="SetFingerprints-"></a> 451 <span class="k">sub </span><span class="m">SetFingerprints</span> <span class="s">{</span>
 | 
| 
 | 
   465  452   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsObject</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   466  453 
 | 
| 
 | 
   467  454   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span>
 | 
| 
 | 
   468  455 
 | 
| 
 | 
   469  456   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   470  457 <span class="s">}</span>
 | 
| 
 | 
   471  458 
 | 
| 
 | 
   472  459 <span class="c"># Get fingerprints string  for current compound...</span>
 | 
| 
 | 
   473  460 <span class="c">#</span>
 | 
| 
 | 
   474 <a name="GetFingerprintsString-"></a> 461 <span class="k">sub </span><span class="m">GetFingerprintsString</span> <span class="s">{</span>
 | 
| 
 | 
   475  462   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   476  463 
 | 
| 
 | 
   477  464   <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} ? <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span>
 | 
| 
 | 
   478  465 <span class="s">}</span>
 | 
| 
 | 
   479  466 
 | 
| 
 | 
   480  467 <span class="c"># Set fingerprints string for current compound...</span>
 | 
| 
 | 
   481  468 <span class="c">#</span>
 | 
| 
 | 
   482 <a name="SetFingerprintsString-"></a> 469 <span class="k">sub </span><span class="m">SetFingerprintsString</span> <span class="s">{</span>
 | 
| 
 | 
   483  470   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   484  471 
 | 
| 
 | 
   485  472   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span>
 | 
| 
 | 
   486  473 
 | 
| 
 | 
   487  474   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   488  475 <span class="s">}</span>
 | 
| 
 | 
   489  476 
 | 
| 
 | 
   490  477 <span class="c"># Does fingerprints SD file contain valid data?</span>
 | 
| 
 | 
   491  478 <span class="c">#</span>
 | 
| 
 | 
   492 <a name="IsFingerprintsFileDataValid-"></a> 479 <span class="k">sub </span><span class="m">IsFingerprintsFileDataValid</span> <span class="s">{</span>
 | 
| 
 | 
   493  480   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   494  481 
 | 
| 
 | 
   495  482   <span class="k">return</span> <span class="i">$This</span>->{<span class="w">ValidFileData</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   496  483 <span class="s">}</span>
 | 
| 
 | 
   497  484 
 | 
| 
 | 
   498  485 <span class="c"># Does current compound contains valid fingerprints object data?</span>
 | 
| 
 | 
   499  486 <span class="c">#</span>
 | 
| 
 | 
   500 <a name="IsFingerprintsDataValid-"></a> 487 <span class="k">sub </span><span class="m">IsFingerprintsDataValid</span> <span class="s">{</span>
 | 
| 
 | 
   501  488   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   502  489 
 | 
| 
 | 
   503  490   <span class="k">return</span> <span class="k">defined</span> <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   504  491 <span class="s">}</span>
 | 
| 
 | 
   505  492 
 | 
| 
 | 
   506  493 <span class="c"># Read next available compound data string,  process it and generate appropriate fingerprints</span>
 | 
| 
 | 
   507  494 <span class="c"># objects...</span>
 | 
| 
 | 
   508  495 <span class="c">#</span>
 | 
| 
 | 
   509 <a name="Read-"></a> 496 <span class="k">sub </span><span class="m">Read</span> <span class="s">{</span>
 | 
| 
 | 
   510  497   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   511  498 
 | 
| 
 | 
   512  499   <span class="c"># Read compound data string...</span>
 | 
| 
 | 
   513  500   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   514  501     <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   515  502   <span class="s">}</span>
 | 
| 
 | 
   516  503 
 | 
| 
 | 
   517  504   <span class="c"># No need to process invalid SD file with invalid data...</span>
 | 
| 
 | 
   518  505   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">ValidFileData</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   519  506     <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   520  507       <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   521  508     <span class="s">}</span>
 | 
| 
 | 
   522  509     <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   523  510   <span class="s">}</span>
 | 
| 
 | 
   524  511 
 | 
| 
 | 
   525  512   <span class="c"># Perform data validation...</span>
 | 
| 
 | 
   526  513   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   527  514     <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ValidateReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   528  515       <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   529  516     <span class="s">}</span>
 | 
| 
 | 
   530  517   <span class="s">}</span>
 | 
| 
 | 
   531  518 
 | 
| 
 | 
   532  519   <span class="c"># Setup fingerprints string after checking again to handle problematic data for</span>
 | 
| 
 | 
   533  520   <span class="c"># non-validated compound string data...</span>
 | 
| 
 | 
   534  521   <span class="c">#</span>
 | 
| 
 | 
   535  522   <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   536  523   <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   537  524   <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   538  525     <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   539  526   <span class="s">}</span>
 | 
| 
 | 
   540  527 
 | 
| 
 | 
   541  528   <span class="c"># Generate fingeprints object...</span>
 | 
| 
 | 
   542  529   <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   543  530 
 | 
| 
 | 
   544  531   <span class="c"># Setup fingerprints compound ID for fingerprints string...</span>
 | 
| 
 | 
   545  532   <span class="i">$This</span><span class="i">->_GenerateCompoundID</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   546  533 
 | 
| 
 | 
   547  534   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   548  535 <span class="s">}</span>
 | 
| 
 | 
   549  536 
 | 
| 
 | 
   550  537 <span class="c"># Read next available compound data string,  process it and generate appropriate fingerprints</span>
 | 
| 
 | 
   551  538 <span class="c"># objects...</span>
 | 
| 
 | 
   552  539 <span class="c">#</span>
 | 
| 
 | 
   553 <a name="Next-"></a> 540 <span class="k">sub </span><span class="m">Next</span> <span class="s">{</span>
 | 
| 
 | 
   554  541   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   555  542 
 | 
| 
 | 
   556  543   <span class="k">return</span> <span class="i">$This</span><span class="i">->Read</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   557  544 <span class="s">}</span>
 | 
| 
 | 
   558  545 
 | 
| 
 | 
   559  546 <span class="c"># Read compound data string...</span>
 | 
| 
 | 
   560  547 <span class="c">#</span>
 | 
| 
 | 
   561 <a name="_ReadCompoundDataString-"></a> 548 <span class="k">sub </span><span class="m">_ReadCompoundDataString</span> <span class="s">{</span>
 | 
| 
 | 
   562  549   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   563  550   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   564  551 
 | 
| 
 | 
   565  552   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   566  553     <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringRead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   567  554   <span class="s">}</span>
 | 
| 
 | 
   568  555 
 | 
| 
 | 
   569  556   <span class="c"># Initialize data for current compound data string...</span>
 | 
| 
 | 
   570  557   <span class="i">$This</span><span class="i">->_InitializeReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   571  558 
 | 
| 
 | 
   572  559   <span class="c"># Get next compound data line...</span>
 | 
| 
 | 
   573  560   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">SDFileUtil::ReadCmpdString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FileHandle</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   574  561   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   575  562     <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   576  563   <span class="s">}</span>
 | 
| 
 | 
   577  564 
 | 
| 
 | 
   578  565   <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   579  566 
 | 
| 
 | 
   580  567   <span class="c"># Set up data field labels and values...</span>
 | 
| 
 | 
   581  568   <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span>
 | 
| 
 | 
   582  569   <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="i">SDFileUtil::GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   583  570 
 | 
| 
 | 
   584  571   <span class="k">return</span> <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   585  572 <span class="s">}</span>
 | 
| 
 | 
   586  573 
 | 
| 
 | 
   587  574 <span class="c"># Initialize compound data string for reading...</span>
 | 
| 
 | 
   588  575 <span class="c">#</span>
 | 
| 
 | 
   589 <a name="_InitializeReadCompoundDataString-"></a> 576 <span class="k">sub </span><span class="m">_InitializeReadCompoundDataString</span> <span class="s">{</span>
 | 
| 
 | 
   590  577   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   591  578 
 | 
| 
 | 
   592  579   <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   593  580   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   594  581 
 | 
| 
 | 
   595  582   <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   596  583 
 | 
| 
 | 
   597  584   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   598  585   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   599  586 
 | 
| 
 | 
   600  587   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   601  588 <span class="s">}</span>
 | 
| 
 | 
   602  589 
 | 
| 
 | 
   603  590 <span class="c"># Validate compound data string containing fingerprints data...</span>
 | 
| 
 | 
   604  591 <span class="c">#</span>
 | 
| 
 | 
   605 <a name="_ValidateReadCompoundDataString-"></a> 592 <span class="k">sub </span><span class="m">_ValidateReadCompoundDataString</span> <span class="s">{</span>
 | 
| 
 | 
   606  593   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   607  594   <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   608  595 
 | 
| 
 | 
   609  596   <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   610  597 
 | 
| 
 | 
   611  598   <span class="c"># Check for missing data...</span>
 | 
| 
 | 
   612  599   <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   613  600     <span class="c"># Missing data...</span>
 | 
| 
 | 
   614  601     <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   615  602     <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">3</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   616  603       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data: $This->{CompoundString}..."</span><span class="sc">;</span>
 | 
| 
 | 
   617  604     <span class="s">}</span>
 | 
| 
 | 
   618  605     <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   619  606       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data..."</span><span class="sc">;</span>
 | 
| 
 | 
   620  607     <span class="s">}</span>
 | 
| 
 | 
   621  608     <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   622  609   <span class="s">}</span>
 | 
| 
 | 
   623  610 
 | 
| 
 | 
   624  611   <span class="c"># Check for invalid data...</span>
 | 
| 
 | 
   625  612   <span class="k">my</span><span class="s">(</span><span class="i">$InvalidFingerprintsData</span><span class="cm">,</span> <span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   626  613 
 | 
| 
 | 
   627  614   <span class="i">$InvalidFingerprintsData</span> = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   628  615 
 | 
| 
 | 
   629  616   <span class="k">if</span> <span class="s">(</span><span class="i">Fingerprints::FingerprintsStringUtil::AreFingerprintsStringValuesValid</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   630  617     <span class="s">(</span><span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span> = <span class="i">Fingerprints::FingerprintsStringUtil::GetFingerprintsStringTypeAndDescription</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   631  618     <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsType</span><span class="s">)</span> && <span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   632  619       <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} !~ <span class="q">/^$FingerprintsType$/i</span> || <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} !~ <span class="q">/^$FingerprintsDescription$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   633  620         <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   634  621       <span class="s">}</span>
 | 
| 
 | 
   635  622     <span class="s">}</span>
 | 
| 
 | 
   636  623     <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
   637  624       <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   638  625     <span class="s">}</span>
 | 
| 
 | 
   639  626   <span class="s">}</span>
 | 
| 
 | 
   640  627   <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
   641  628     <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   642  629   <span class="s">}</span>
 | 
| 
 | 
   643  630 
 | 
| 
 | 
   644  631   <span class="k">if</span> <span class="s">(</span><span class="i">$InvalidFingerprintsData</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   645  632     <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} += <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   646  633     <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">3</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   647  634       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data: $This->{DataLine}..."</span><span class="sc">;</span>
 | 
| 
 | 
   648  635     <span class="s">}</span>
 | 
| 
 | 
   649  636     <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   650  637       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data..."</span><span class="sc">;</span>
 | 
| 
 | 
   651  638     <span class="s">}</span>
 | 
| 
 | 
   652  639     <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   653  640   <span class="s">}</span>
 | 
| 
 | 
   654  641 
 | 
| 
 | 
   655  642   <span class="k">return</span> <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   656  643 <span class="s">}</span>
 | 
| 
 | 
   657  644 
 | 
| 
 | 
   658  645 <span class="c"># Setup fingerprints compound ID for fingerprints string...</span>
 | 
| 
 | 
   659 <a name="_GenerateCompoundID-"></a> 646 <span class="k">sub </span><span class="m">_GenerateCompoundID</span> <span class="s">{</span>
 | 
| 
 | 
   660  647   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   661  648   <span class="k">my</span><span class="s">(</span><span class="i">$CompoundID</span><span class="cm">,</span> <span class="i">$MolName</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   662  649 
 | 
| 
 | 
   663  650   <span class="i">$CompoundID</span> = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   664  651 
 | 
| 
 | 
   665  652   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^LabelPrefix$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   666  653     <span class="i">$CompoundID</span> = <span class="q">"$This->{CompoundIDPrefix}$This->{CompoundNum}"</span><span class="sc">;</span>
 | 
| 
 | 
   667  654   <span class="s">}</span>
 | 
| 
 | 
   668  655   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   669  656     <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   670  657     <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   671  658     <span class="i">$CompoundID</span> = <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>} ?  <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>} <span class="co">:</span> <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   672  659   <span class="s">}</span>
 | 
| 
 | 
   673  660   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^MolNameOrLabelPrefix$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   674  661     <span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span>
 | 
| 
 | 
   675  662     <span class="i">$CompoundID</span> = <span class="i">TextUtil::IsNotEmpty</span><span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> ? <span class="i">$MolName</span> <span class="co">:</span> <span class="q">"$This->{CompoundIDPrefix}$This->{CompoundNum}"</span><span class="sc">;</span>
 | 
| 
 | 
   676  663   <span class="s">}</span>
 | 
| 
 | 
   677  664   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^MolName$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   678  665     <span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span>
 | 
| 
 | 
   679  666     <span class="i">$CompoundID</span> = <span class="i">$MolName</span><span class="sc">;</span>
 | 
| 
 | 
   680  667   <span class="s">}</span>
 | 
| 
 | 
   681  668 
 | 
| 
 | 
   682  669   <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="i">$CompoundID</span><span class="sc">;</span>
 | 
| 
 | 
   683  670 
 | 
| 
 | 
   684  671   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   685  672 <span class="s">}</span>
 | 
| 
 | 
   686  673 
 | 
| 
 | 
   687  674 <span class="c"># Process first compound data string read...</span>
 | 
| 
 | 
   688  675 <span class="c">#</span>
 | 
| 
 | 
   689 <a name="_ProcessFirstCompoundDataStringRead-"></a> 676 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringRead</span> <span class="s">{</span>
 | 
| 
 | 
   690  677   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   691  678   <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   692  679 
 | 
| 
 | 
   693  680   <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   694  681 
 | 
| 
 | 
   695  682   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   696  683 <span class="s">}</span>
 | 
| 
 | 
   697  684 
 | 
| 
 | 
   698  685 <span class="c"># Get ready for reading fingerprints SD file...</span>
 | 
| 
 | 
   699  686 <span class="c">#</span>
 | 
| 
 | 
   700 <a name="_PrepareForReadingFingerprintsSDFileData-"></a> 687 <span class="k">sub </span><span class="m">_PrepareForReadingFingerprintsSDFileData</span> <span class="s">{</span>
 | 
| 
 | 
   701  688   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   702  689 
 | 
| 
 | 
   703  690   <span class="c"># Retrieve SD file data fields information....</span>
 | 
| 
 | 
   704  691   <span class="i">$This</span><span class="i">->_RetrieveSDFileDataFields</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   705  692 
 | 
| 
 | 
   706  693   <span class="c"># Validate compound and fingerprints field information...</span>
 | 
| 
 | 
   707  694   <span class="i">$This</span><span class="i">->_ValidateReadCompoundIDField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   708  695   <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   709  696 
 | 
| 
 | 
   710  697   <span class="c"># Validate fingeprints string mode information...</span>
 | 
| 
 | 
   711  698   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   712  699     <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   713  700   <span class="s">}</span>
 | 
| 
 | 
   714  701 
 | 
| 
 | 
   715  702   <span class="c"># Set status of SD file data...</span>
 | 
| 
 | 
   716  703   <span class="i">$This</span>->{<span class="w">ValidFileData</span>} = <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} && <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} && <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   717  704 
 | 
| 
 | 
   718  705   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   719  706 <span class="s">}</span>
 | 
| 
 | 
   720  707 
 | 
| 
 | 
   721  708 <span class="c"># Retrieve information data fields and fingerprints string...</span>
 | 
| 
 | 
   722  709 <span class="c">#</span>
 | 
| 
 | 
   723 <a name="_RetrieveSDFileDataFields-"></a> 710 <span class="k">sub </span><span class="m">_RetrieveSDFileDataFields</span> <span class="s">{</span>
 | 
| 
 | 
   724  711   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   725  712   <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   726  713 
 | 
| 
 | 
   727  714   <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span>
 | 
| 
 | 
   728  715 
 | 
| 
 | 
   729  716   <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   730  717     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, doesn't exist..."</span><span class="sc">;</span>
 | 
| 
 | 
   731  718   <span class="s">}</span>
 | 
| 
 | 
   732  719 
 | 
| 
 | 
   733  720   <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   734  721     <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: Couldn't open input SD file $SDFile: $! ..."</span><span class="sc">;</span>
 | 
| 
 | 
   735  722   <span class="s">}</span>
 | 
| 
 | 
   736  723   <span class="i">$CmpdString</span> = <span class="i">SDFileUtil::ReadCmpdString</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   737  724   <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span>
 | 
| 
 | 
   738  725 
 | 
| 
 | 
   739  726   <span class="c"># Set up data field labels and values for first compound string data...</span>
 | 
| 
 | 
   740  727   <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span>
 | 
| 
 | 
   741  728 
 | 
| 
 | 
   742  729   <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   743  730   <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="i">SDFileUtil::GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   744  731 
 | 
| 
 | 
   745  732   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   746  733 <span class="s">}</span>
 | 
| 
 | 
   747  734 
 | 
| 
 | 
   748  735 <span class="c"># Validate compound ID field information...</span>
 | 
| 
 | 
   749  736 <span class="c">#</span>
 | 
| 
 | 
   750 <a name="_ValidateReadCompoundIDField-"></a> 737 <span class="k">sub </span><span class="m">_ValidateReadCompoundIDField</span> <span class="s">{</span>
 | 
| 
 | 
   751  738   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   752  739   <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   753  740 
 | 
| 
 | 
   754  741   <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   755  742 
 | 
| 
 | 
   756  743   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   757  744     <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   758  745     <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   759  746       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundIDField: Compound ID data field, $SpecifiedDataField, specified using \"CompoundIDField\" in \"DataField\" \"CompoundIDMode\" doesn't exist..."</span><span class="sc">;</span>
 | 
| 
 | 
   760  747       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   761  748     <span class="s">}</span>
 | 
| 
 | 
   762  749   <span class="s">}</span>
 | 
| 
 | 
   763  750 
 | 
| 
 | 
   764  751   <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   765  752 
 | 
| 
 | 
   766  753   <span class="k">return</span> <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   767  754 <span class="s">}</span>
 | 
| 
 | 
   768  755 
 | 
| 
 | 
   769  756 <span class="c"># Validate fingerprints string field information...</span>
 | 
| 
 | 
   770  757 <span class="c">#</span>
 | 
| 
 | 
   771 <a name="_ValidateReadFingerprintsField-"></a> 758 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsField</span> <span class="s">{</span>
 | 
| 
 | 
   772  759   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   773  760   <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   774  761 
 | 
| 
 | 
   775  762   <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   776  763 
 | 
| 
 | 
   777  764   <span class="i">$FingerprintsFieldLabel</span> = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   778  765 
 | 
| 
 | 
   779  766   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} !~ <span class="q">/^AutoDetect$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   780  767     <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   781  768     <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   782  769       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Fingerprints data field value, $FingerprintsFieldLabel, specified using \"FingerprintsFieldLabel\" doesn't exist..."</span><span class="sc">;</span>
 | 
| 
 | 
   783  770       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   784  771     <span class="s">}</span>
 | 
| 
 | 
   785  772   <span class="s">}</span>
 | 
| 
 | 
   786  773   <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
   787  774     <span class="c"># Make sure default fingerprints field does exist...</span>
 | 
| 
 | 
   788  775     <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldFound</span><span class="cm">,</span> <span class="i">$DataFieldLabel</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   789  776     <span class="i">$FingerprintsFieldFound</span> = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   790  777 
 | 
| 
 | 
   791  778     <span class="j">DATAFIELDLABEL:</span> <span class="k">for</span> <span class="i">$DataFieldLabel</span> <span class="s">(</span><span class="k">keys</span> <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   792  779       <span class="k">if</span> <span class="s">(</span><span class="i">$DataFieldLabel</span> =~ <span class="q">/Fingerprints/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   793  780         <span class="i">$FingerprintsFieldFound</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   794  781         <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$DataFieldLabel</span><span class="sc">;</span>
 | 
| 
 | 
   795  782         <span class="k">last</span> <span class="j">DATAFIELDLABEL</span><span class="sc">;</span>
 | 
| 
 | 
   796  783       <span class="s">}</span>
 | 
| 
 | 
   797  784     <span class="s">}</span>
 | 
| 
 | 
   798  785     <span class="k">if</span> <span class="s">(</span>!<span class="i">$FingerprintsFieldFound</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   799  786       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Data field label containing \"Fingerprints\" string in its name doesn't exist..."</span><span class="sc">;</span>
 | 
| 
 | 
   800  787       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   801  788     <span class="s">}</span>
 | 
| 
 | 
   802  789   <span class="s">}</span>
 | 
| 
 | 
   803  790 
 | 
| 
 | 
   804  791   <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   805  792   <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="i">$FingerprintsFieldLabel</span><span class="sc">;</span>
 | 
| 
 | 
   806  793 
 | 
| 
 | 
   807  794   <span class="k">return</span> <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   808  795 <span class="s">}</span>
 | 
| 
 | 
   809  796 
 | 
| 
 | 
   810  797 <span class="c"># Validate fingerprints string mode information...</span>
 | 
| 
 | 
   811  798 <span class="c">#</span>
 | 
| 
 | 
   812 <a name="_ValidateReadFingerprintsStringMode-"></a> 799 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsStringMode</span> <span class="s">{</span>
 | 
| 
 | 
   813  800   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   814  801   <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="cm">,</span> <span class="i">$FingerprintsFieldLabel</span><span class="cm">,</span> <span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   815  802 
 | 
| 
 | 
   816  803   <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   817  804 
 | 
| 
 | 
   818  805   <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   819  806   <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   820  807 
 | 
| 
 | 
   821  808   <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   822  809   <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   823  810 
 | 
| 
 | 
   824  811   <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   825  812   <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   826  813 
 | 
| 
 | 
   827  814   <span class="i">$FirstFingerprintsStringType</span> = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   828  815   <span class="i">$FirstFingerprintsStringDescription</span> = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
   829  816 
 | 
| 
 | 
   830  817   <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
   831  818 
 | 
| 
 | 
   832  819   <span class="s">(</span><span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span> = <span class="i">Fingerprints::FingerprintsStringUtil::GetFingerprintsStringTypeAndDescription</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   833  820 
 | 
| 
 | 
   834  821   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsBitVectorString$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   835  822     <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   836  823       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsBitVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span>
 | 
| 
 | 
   837  824       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   838  825     <span class="s">}</span>
 | 
| 
 | 
   839  826     <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   840  827     <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsBitVector'</span><span class="sc">;</span>
 | 
| 
 | 
   841  828     <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span>
 | 
| 
 | 
   842  829   <span class="s">}</span>
 | 
| 
 | 
   843  830   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   844  831     <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsVector$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   845  832       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span>
 | 
| 
 | 
   846  833       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   847  834     <span class="s">}</span>
 | 
| 
 | 
   848  835     <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   849  836     <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsVector'</span><span class="sc">;</span>
 | 
| 
 | 
   850  837     <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span>
 | 
| 
 | 
   851  838   <span class="s">}</span>
 | 
| 
 | 
   852  839   <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
   853  840     <span class="c"># AutoDetect mode...</span>
 | 
| 
 | 
   854  841     <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> =~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   855  842       <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   856  843     <span class="s">}</span>
 | 
| 
 | 
   857  844     <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsType</span> =~ <span class="q">/^FingerprintsVector$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   858  845       <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   859  846     <span class="s">}</span>
 | 
| 
 | 
   860  847     <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
   861  848       <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, identified during, AutoDetect, value of \"FingerprintsStringMode\" is not valid; Supported fingerprints types: FingerprintBitVector or FingerprintsVector..."</span><span class="sc">;</span>
 | 
| 
 | 
   862  849       <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   863  850     <span class="s">}</span>
 | 
| 
 | 
   864  851     <span class="i">$FirstFingerprintsStringType</span> = <span class="i">$FingerprintsType</span><span class="sc">;</span>
 | 
| 
 | 
   865  852     <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span>
 | 
| 
 | 
   866  853   <span class="s">}</span>
 | 
| 
 | 
   867  854 
 | 
| 
 | 
   868  855   <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   869  856 
 | 
| 
 | 
   870  857   <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="i">$FingerprintsBitVectorStringMode</span><span class="sc">;</span>
 | 
| 
 | 
   871  858   <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="i">$FingerprintsVectorStringMode</span><span class="sc">;</span>
 | 
| 
 | 
   872  859 
 | 
| 
 | 
   873  860   <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="i">$FirstFingerprintsStringType</span><span class="sc">;</span>
 | 
| 
 | 
   874  861   <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="i">$FirstFingerprintsStringDescription</span><span class="sc">;</span>
 | 
| 
 | 
   875  862 
 | 
| 
 | 
   876  863   <span class="k">return</span> <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   877  864 <span class="s">}</span>
 | 
| 
 | 
   878  865 
 | 
| 
 | 
   879  866 <span class="c"># Write fingerprints string generated from specified fingerprints, fingerprints-bit vector, or</span>
 | 
| 
 | 
   880  867 <span class="c"># fingerprints vector object and other data to SD file...</span>
 | 
| 
 | 
   881  868 <span class="c">#</span>
 | 
| 
 | 
   882 <a name="WriteFingerprints-"></a> 869 <span class="k">sub </span><span class="m">WriteFingerprints</span> <span class="s">{</span>
 | 
| 
 | 
   883  870   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsObject</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   884  871 
 | 
| 
 | 
   885  872   <span class="c"># Initialize data for current compound...</span>
 | 
| 
 | 
   886  873   <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   887  874 
 | 
| 
 | 
   888  875   <span class="c"># Set fingerprints object...</span>
 | 
| 
 | 
   889  876   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span>
 | 
| 
 | 
   890  877 
 | 
| 
 | 
   891  878   <span class="c"># Generate fingerprints string...</span>
 | 
| 
 | 
   892  879   <span class="i">$This</span><span class="i">->_GenerateFingerprintsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   893  880 
 | 
| 
 | 
   894  881   <span class="c"># Set and update compound string...</span>
 | 
| 
 | 
   895  882   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span>
 | 
| 
 | 
   896  883   <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   897  884 
 | 
| 
 | 
   898  885   <span class="c"># Write it out...</span>
 | 
| 
 | 
   899  886   <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   900  887 
 | 
| 
 | 
   901  888   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   902  889 <span class="s">}</span>
 | 
| 
 | 
   903  890 
 | 
| 
 | 
   904  891 <span class="c"># Write fingerprints string and other data to SD file...</span>
 | 
| 
 | 
   905  892 <span class="c">#</span>
 | 
| 
 | 
   906  893 <span class="c"># Note:</span>
 | 
| 
 | 
   907  894 <span class="c">#   o FingerprintsStringMode, BitStringFormat, BitsOrder, VectorStringFormat values</span>
 | 
| 
 | 
   908  895 <span class="c">#     are ignored during writing of fingerprints and it's written to the file as it is.</span>
 | 
| 
 | 
   909  896 <span class="c">#   o CompoundString contains no fingerprints data</span>
 | 
| 
 | 
   910  897 <span class="c">#</span>
 | 
| 
 | 
   911 <a name="WriteFingerprintsString-"></a> 898 <span class="k">sub </span><span class="m">WriteFingerprintsString</span> <span class="s">{</span>
 | 
| 
 | 
   912  899   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsString</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   913  900 
 | 
| 
 | 
   914  901   <span class="c"># Initialize data for current compound...</span>
 | 
| 
 | 
   915  902   <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   916  903 
 | 
| 
 | 
   917  904   <span class="c"># Set fingerprints string...</span>
 | 
| 
 | 
   918  905   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span>
 | 
| 
 | 
   919  906 
 | 
| 
 | 
   920  907   <span class="c"># Generate fingerprints object...</span>
 | 
| 
 | 
   921  908   <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   922  909 
 | 
| 
 | 
   923  910   <span class="c"># Set and update compound string...</span>
 | 
| 
 | 
   924  911   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span>
 | 
| 
 | 
   925  912   <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   926  913 
 | 
| 
 | 
   927  914   <span class="c"># Write it out...</span>
 | 
| 
 | 
   928  915   <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   929  916 
 | 
| 
 | 
   930  917   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   931  918 <span class="s">}</span>
 | 
| 
 | 
   932  919 
 | 
| 
 | 
   933  920 <span class="c"># Initialize compound data string for writing...</span>
 | 
| 
 | 
   934  921 <span class="c">#</span>
 | 
| 
 | 
   935 <a name="_InitializeWriteCompoundDataString-"></a> 922 <span class="k">sub </span><span class="m">_InitializeWriteCompoundDataString</span> <span class="s">{</span>
 | 
| 
 | 
   936  923   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   937  924 
 | 
| 
 | 
   938  925   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   939  926 
 | 
| 
 | 
   940  927   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   941  928   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
   942  929 
 | 
| 
 | 
   943  930   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   944  931 <span class="s">}</span>
 | 
| 
 | 
   945  932 
 | 
| 
 | 
   946  933 <span class="c"># Writi compound data string...</span>
 | 
| 
 | 
   947  934 <span class="c">#</span>
 | 
| 
 | 
   948 <a name="_WriteCompoundDataString-"></a> 935 <span class="k">sub </span><span class="m">_WriteCompoundDataString</span> <span class="s">{</span>
 | 
| 
 | 
   949  936   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   950  937   <span class="k">my</span><span class="s">(</span><span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   951  938 
 | 
| 
 | 
   952  939   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   953  940     <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   954  941   <span class="s">}</span>
 | 
| 
 | 
   955  942 
 | 
| 
 | 
   956  943   <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   957  944   <span class="i">$FileHandle</span> = <span class="i">$This</span>->{<span class="w">FileHandle</span>}<span class="sc">;</span>
 | 
| 
 | 
   958  945 
 | 
| 
 | 
   959  946   <span class="k">print</span> <span class="i">$FileHandle</span> <span class="q">"$This->{CompoundString}\n"</span><span class="sc">;</span>
 | 
| 
 | 
   960  947 
 | 
| 
 | 
   961  948   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   962  949 <span class="s">}</span>
 | 
| 
 | 
   963  950 
 | 
| 
 | 
   964  951 <span class="c"># Process first compound data string write...</span>
 | 
| 
 | 
   965  952 <span class="c">#</span>
 | 
| 
 | 
   966 <a name="_ProcessFirstCompoundDataStringWrite-"></a> 953 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringWrite</span> <span class="s">{</span>
 | 
| 
 | 
   967  954   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   968  955   <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   969  956 
 | 
| 
 | 
   970  957   <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   971  958 
 | 
| 
 | 
   972  959   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
   973  960 <span class="s">}</span>
 | 
| 
 | 
   974  961 
 | 
| 
 | 
   975  962 <span class="c"># Get ready for writing fingerprints SD file...</span>
 | 
| 
 | 
   976  963 <span class="c">#</span>
 | 
| 
 | 
   977 <a name="_PrepareForWritingFingerprintsSDFileData-"></a> 964 <span class="k">sub </span><span class="m">_PrepareForWritingFingerprintsSDFileData</span> <span class="s">{</span>
 | 
| 
 | 
   978  965   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
   979  966   <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
   980  967 
 | 
| 
 | 
   981  968   <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span>
 | 
| 
 | 
   982  969   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">Overwrite</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   983  970     <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   984  971       <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, already exist. Use overwrite option..."</span><span class="sc">;</span>
 | 
| 
 | 
   985  972     <span class="s">}</span>
 | 
| 
 | 
   986  973   <span class="s">}</span>
 | 
| 
 | 
   987  974 
 | 
| 
 | 
   988  975   <span class="c"># Setup FingerprintsStringMode status...</span>
 | 
| 
 | 
   989  976 
 | 
| 
 | 
   990  977   <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   991  978   <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   992  979   <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
   993  980 
 | 
| 
 | 
   994  981   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsBitVectorString$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   995  982     <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   996  983   <span class="s">}</span>
 | 
| 
 | 
   997  984   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
   998  985     <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span>
 | 
| 
 | 
   999  986   <span class="s">}</span>
 | 
| 
 | 
  1000  987 
 | 
| 
 | 
  1001  988   <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} || <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
  1002  989 
 | 
| 
 | 
  1003  990   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1004  991     <span class="i">$This</span><span class="i">->_SetDefaultBitStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1005  992     <span class="i">$This</span><span class="i">->_SetDefaultBitsOrder</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1006  993   <span class="s">}</span>
 | 
| 
 | 
  1007  994   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1008  995     <span class="i">$This</span><span class="i">->_SetDefaultVectorStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1009  996   <span class="s">}</span>
 | 
| 
 | 
  1010  997 
 | 
| 
 | 
  1011  998   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1012  999 <span class="s">}</span>
 | 
| 
 | 
  1013 1000 
 | 
| 
 | 
  1014 1001 <span class="c"># Set default value for bit string format...</span>
 | 
| 
 | 
  1015 1002 <span class="c">#</span>
 | 
| 
 | 
  1016 <a name="_SetDefaultBitStringFormat-"></a>1003 <span class="k">sub </span><span class="m">_SetDefaultBitStringFormat</span> <span class="s">{</span>
 | 
| 
 | 
  1017 1004   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1018 1005 
 | 
| 
 | 
  1019 1006   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitStringFormat</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1020 1007     <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultBitStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1021 1008   <span class="s">}</span>
 | 
| 
 | 
  1022 1009 
 | 
| 
 | 
  1023 1010   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1024 1011 <span class="s">}</span>
 | 
| 
 | 
  1025 1012 
 | 
| 
 | 
  1026 1013 <span class="c"># Set default value for bit string format...</span>
 | 
| 
 | 
  1027 1014 <span class="c">#</span>
 | 
| 
 | 
  1028 <a name="_SetDefaultBitsOrder-"></a>1015 <span class="k">sub </span><span class="m">_SetDefaultBitsOrder</span> <span class="s">{</span>
 | 
| 
 | 
  1029 1016   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1030 1017 
 | 
| 
 | 
  1031 1018   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1032 1019     <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultBitsOrder</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1033 1020   <span class="s">}</span>
 | 
| 
 | 
  1034 1021 
 | 
| 
 | 
  1035 1022   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1036 1023 <span class="s">}</span>
 | 
| 
 | 
  1037 1024 
 | 
| 
 | 
  1038 1025 <span class="c"># Set default value for vector string format...</span>
 | 
| 
 | 
  1039 1026 <span class="c">#</span>
 | 
| 
 | 
  1040 <a name="_SetDefaultVectorStringFormat-"></a>1027 <span class="k">sub </span><span class="m">_SetDefaultVectorStringFormat</span> <span class="s">{</span>
 | 
| 
 | 
  1041 1028   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1042 1029 
 | 
| 
 | 
  1043 1030   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} && <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1044 1031     <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultVectorStringFormat</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1045 1032   <span class="s">}</span>
 | 
| 
 | 
  1046 1033 
 | 
| 
 | 
  1047 1034   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1048 1035 <span class="s">}</span>
 | 
| 
 | 
  1049 1036 
 | 
| 
 | 
  1050 1037 <span class="c"># Add fingerprints data to compound string...</span>
 | 
| 
 | 
  1051 1038 <span class="c">#</span>
 | 
| 
 | 
  1052 <a name="_AddFingerprintsDataToCompoundString-"></a>1039 <span class="k">sub </span><span class="m">_AddFingerprintsDataToCompoundString</span> <span class="s">{</span>
 | 
| 
 | 
  1053 1040   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1054 1041   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdString</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1055 1042 
 | 
| 
 | 
  1056 1043   <span class="c"># Check and remove existing fingerprints data...</span>
 | 
| 
 | 
  1057 1044   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1058 1045     <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_AddFingerprintsDataToCompoundString: The compound string already contains fingerprints data corresponding to fingerprints field label $This->{FingerprintsFieldLabel}; It has been replaced with new fingerprints data..."</span><span class="sc">;</span>
 | 
| 
 | 
  1059 1046     <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">SDFileUtil::RemoveCmpdDataHeaderLabelAndValue</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1060 1047   <span class="s">}</span>
 | 
| 
 | 
  1061 1048 
 | 
| 
 | 
  1062 1049   <span class="i">$CmpdString</span> = <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span>
 | 
| 
 | 
  1063 1050 
 | 
| 
 | 
  1064 1051   <span class="i">$CmpdString</span> =~ <span class="q">s/\$\$\$\$$//</span><span class="sc">;</span>
 | 
| 
 | 
  1065 1052 
 | 
| 
 | 
  1066 1053   <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="q">"${CmpdString}>  <$This->{FingerprintsFieldLabel}>\n$This->{FingerprintsString}\n\n\$\$\$\$"</span><span class="sc">;</span>
 | 
| 
 | 
  1067 1054 
 | 
| 
 | 
  1068 1055   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1069 1056 <span class="s">}</span>
 | 
| 
 | 
  1070 1057 
 | 
| 
 | 
  1071 1058 <span class="c"># Is fingerprints data already present in compound string?</span>
 | 
| 
 | 
  1072 1059 <span class="c">#</span>
 | 
| 
 | 
  1073 <a name="_IsFingerprintsDataPresentInCompoundString-"></a>1060 <span class="k">sub </span><span class="m">_IsFingerprintsDataPresentInCompoundString</span> <span class="s">{</span>
 | 
| 
 | 
  1074 1061   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1075 1062   <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1076 1063 
 | 
| 
 | 
  1077 1064   <span class="k">if</span> <span class="s">(</span><span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> || <span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1078 1065     <span class="k">return</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
  1079 1066   <span class="s">}</span>
 | 
| 
 | 
  1080 1067 
 | 
| 
 | 
  1081 1068   <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span>
 | 
| 
 | 
  1082 1069 
 | 
| 
 | 
  1083 1070   <span class="k">return</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>} =~ <span class="q">/<$FingerprintsFieldLabel>/</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
  1084 1071 <span class="s">}</span>
 | 
| 
 | 
  1085 1072 
 | 
| 
 | 
  1086 1073 <span class="c"># Generate fingerprints object using current fingerprints string...</span>
 | 
| 
 | 
  1087 1074 <span class="c">#</span>
 | 
| 
 | 
  1088 <a name="_GenerateFingerprintsObject-"></a>1075 <span class="k">sub </span><span class="m">_GenerateFingerprintsObject</span> <span class="s">{</span>
 | 
| 
 | 
  1089 1076   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1090 1077 
 | 
| 
 | 
  1091 1078   <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
  1092 1079 
 | 
| 
 | 
  1093 1080   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1094 1081     <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1095 1082   <span class="s">}</span>
 | 
| 
 | 
  1096 1083 
 | 
| 
 | 
  1097 1084   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1098 1085     <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::ParseFingerprintsBitVectorString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1099 1086   <span class="s">}</span>
 | 
| 
 | 
  1100 1087   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1101 1088     <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::ParseFingerprintsVectorString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1102 1089   <span class="s">}</span>
 | 
| 
 | 
  1103 1090   <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
  1104 1091     <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span>
 | 
| 
 | 
  1105 1092   <span class="s">}</span>
 | 
| 
 | 
  1106 1093 
 | 
| 
 | 
  1107 1094   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1108 1095 <span class="s">}</span>
 | 
| 
 | 
  1109 1096 
 | 
| 
 | 
  1110 1097 <span class="c"># Generate fingerprints string using current fingerprints object...</span>
 | 
| 
 | 
  1111 1098 <span class="c">#</span>
 | 
| 
 | 
  1112 <a name="_GenerateFingerprintsString-"></a>1099 <span class="k">sub </span><span class="m">_GenerateFingerprintsString</span> <span class="s">{</span>
 | 
| 
 | 
  1113 1100   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1114 1101 
 | 
| 
 | 
  1115 1102   <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="q">''</span><span class="sc">;</span>
 | 
| 
 | 
  1116 1103 
 | 
| 
 | 
  1117 1104   <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1118 1105     <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1119 1106   <span class="s">}</span>
 | 
| 
 | 
  1120 1107 
 | 
| 
 | 
  1121 1108   <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1122 1109     <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GenerateFingerprintsString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">BitStringFormat</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1123 1110   <span class="s">}</span>
 | 
| 
 | 
  1124 1111   <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1125 1112     <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GenerateFingerprintsString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>}<span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1126 1113   <span class="s">}</span>
 | 
| 
 | 
  1127 1114 
 | 
| 
 | 
  1128 1115   <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span>
 | 
| 
 | 
  1129 1116 <span class="s">}</span>
 | 
| 
 | 
  1130 1117 
 | 
| 
 | 
  1131 1118 <span class="c"># Is it a fingerprints file?</span>
 | 
| 
 | 
  1132 <a name="IsFingerprintsSDFile-"></a>1119 <span class="k">sub </span><span class="m">IsFingerprintsSDFile ($;$)</span> <span class="s">{</span>
 | 
| 
 | 
  1133 1120   <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1134 1121   <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$Status</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1135 1122 
 | 
| 
 | 
  1136 1123   <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@_</span> == <span class="n">2</span><span class="s">)</span> && <span class="s">(</span><span class="i">_IsFingerprintsSDFileIO</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 | 
| 
 | 
  1137 1124     <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FileName</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1138 1125   <span class="s">}</span>
 | 
| 
 | 
  1139 1126   <span class="k">else</span> <span class="s">{</span>
 | 
| 
 | 
  1140 1127     <span class="i">$FileName</span> = <span class="i">$FirstParameter</span><span class="sc">;</span>
 | 
| 
 | 
  1141 1128   <span class="s">}</span>
 | 
| 
 | 
  1142 1129 
 | 
| 
 | 
  1143 1130   <span class="c"># Check file extension...</span>
 | 
| 
 | 
  1144 1131   <span class="i">$Status</span> = <span class="i">FileUtil::CheckFileType</span><span class="s">(</span><span class="i">$FileName</span><span class="cm">,</span> <span class="q">"sdf sd"</span><span class="s">)</span><span class="sc">;</span>
 | 
| 
 | 
  1145 1132 
 | 
| 
 | 
  1146 1133   <span class="k">return</span> <span class="i">$Status</span><span class="sc">;</span>
 | 
| 
 | 
  1147 1134 <span class="s">}</span>
 | 
| 
 | 
  1148 1135 
 | 
| 
 | 
  1149 1136 <span class="c"># Is it a FingerprintsSDFileIO object?</span>
 | 
| 
 | 
  1150 <a name="_IsFingerprintsSDFileIO-"></a>1137 <span class="k">sub </span><span class="m">_IsFingerprintsSDFileIO</span> <span class="s">{</span>
 | 
| 
 | 
  1151 1138   <span class="k">my</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 | 
| 
 | 
  1152 1139 
 | 
| 
 | 
  1153 1140   <span class="k">return</span> <span class="s">(</span><span class="i">Scalar::Util::blessed</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> && <span class="i">$Object</span><span class="i">->isa</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 | 
| 
 | 
  1154 1141 <span class="s">}</span>
 | 
| 
 | 
  1155 1142 
 | 
| 
 | 
  1156 <a name="EOF-"></a></pre>
 | 
| 
 | 
  1157 <p> </p>
 | 
| 
 | 
  1158 <br />
 | 
| 
 | 
  1159 <center>
 | 
| 
 | 
  1160 <img src="../../../images/h2o2.png">
 | 
| 
 | 
  1161 </center>
 | 
| 
 | 
  1162 </body>
 | 
| 
 | 
  1163 </html>
 |