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|  | 13 <pre> | 
|  | 14    1 #!/usr/bin/perl -w | 
|  | 15    2 <span class="c">#</span> | 
|  | 16    3 <span class="c"># $RCSfile: ExtractFromSDFiles.pl,v $</span> | 
|  | 17    4 <span class="c"># $Date: 2015/03/22 19:11:27 $</span> | 
|  | 18    5 <span class="c"># $Revision: 1.48 $</span> | 
|  | 19    6 <span class="c">#</span> | 
|  | 20    7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> | 
|  | 21    8 <span class="c">#</span> | 
|  | 22    9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> | 
|  | 23   10 <span class="c">#</span> | 
|  | 24   11 <span class="c"># This file is part of MayaChemTools.</span> | 
|  | 25   12 <span class="c">#</span> | 
|  | 26   13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> | 
|  | 27   14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> | 
|  | 28   15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> | 
|  | 29   16 <span class="c"># later version.</span> | 
|  | 30   17 <span class="c">#</span> | 
|  | 31   18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> | 
|  | 32   19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> | 
|  | 33   20 <span class="c"># for a particular purpose.  See the GNU Lesser General Public License for more</span> | 
|  | 34   21 <span class="c"># details.</span> | 
|  | 35   22 <span class="c">#</span> | 
|  | 36   23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> | 
|  | 37   24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> | 
|  | 38   25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> | 
|  | 39   26 <span class="c"># Boston, MA, 02111-1307, USA.</span> | 
|  | 40   27 <span class="c">#</span> | 
|  | 41   28 | 
|  | 42   29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> | 
|  | 43   30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">"$FindBin::Bin/../lib"</span><span class="sc">;</span> | 
|  | 44   31 <span class="k">use</span> <span class="w">Getopt::Long</span><span class="sc">;</span> | 
|  | 45   32 <span class="k">use</span> <span class="w">File::Basename</span><span class="sc">;</span> | 
|  | 46   33 <span class="k">use</span> <span class="w">Text::ParseWords</span><span class="sc">;</span> | 
|  | 47   34 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span> | 
|  | 48   35 <span class="k">use</span> <span class="w">SDFileUtil</span><span class="sc">;</span> | 
|  | 49   36 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span> | 
|  | 50   37 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span> | 
|  | 51   38 | 
|  | 52   39 <span class="k">my</span><span class="s">(</span><span class="i">$ScriptName</span><span class="cm">,</span> <span class="i">%Options</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="cm">,</span> <span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$TotalTime</span><span class="s">)</span><span class="sc">;</span> | 
|  | 53   40 | 
|  | 54   41 <span class="c"># Autoflush STDOUT</span> | 
|  | 55   42 <span class="i">$|</span> = <span class="n">1</span><span class="sc">;</span> | 
|  | 56   43 | 
|  | 57   44 <span class="c"># Starting message...</span> | 
|  | 58   45 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span> | 
|  | 59   46 <span class="k">print</span> <span class="q">"\n$ScriptName:Starting...\n\n"</span><span class="sc">;</span> | 
|  | 60   47 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> | 
|  | 61   48 | 
|  | 62   49 <span class="c"># Get the options and setup script...</span> | 
|  | 63   50 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 64   51 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">help</span>} || <span class="i">@ARGV</span> < <span class="n">1</span><span class="s">)</span> <span class="s">{</span> | 
|  | 65   52   <span class="k">die</span> <span class="i">GetUsageFromPod</span><span class="s">(</span><span class="q">"$FindBin::Bin/$ScriptName"</span><span class="s">)</span><span class="sc">;</span> | 
|  | 66   53 <span class="s">}</span> | 
|  | 67   54 | 
|  | 68   55 <span class="k">my</span><span class="s">(</span><span class="i">@SDFilesList</span><span class="s">)</span><span class="sc">;</span> | 
|  | 69   56 <span class="i">@SDFilesList</span> = <span class="i">ExpandFileNames</span><span class="s">(</span>\<span class="i">@ARGV</span><span class="cm">,</span> <span class="q">"sdf sd"</span><span class="s">)</span><span class="sc">;</span> | 
|  | 70   57 | 
|  | 71   58 <span class="c"># Process options...</span> | 
|  | 72   59 <span class="k">print</span> <span class="q">"Processing options...\n"</span><span class="sc">;</span> | 
|  | 73   60 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span> | 
|  | 74   61 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 75   62 | 
|  | 76   63 <span class="c"># Collect information about SD files...</span> | 
|  | 77   64 <span class="k">print</span> <span class="q">"Checking input SD file(s)...\n"</span><span class="sc">;</span> | 
|  | 78   65 <span class="k">my</span><span class="s">(</span><span class="i">%SDFilesInfo</span><span class="s">)</span><span class="sc">;</span> | 
|  | 79   66 <span class="i">RetrieveSDFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 80   67 | 
|  | 81   68 <span class="c"># Generate output files...</span> | 
|  | 82   69 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 83   70 <span class="k">if</span> <span class="s">(</span><span class="i">@SDFilesList</span> > <span class="n">1</span><span class="s">)</span> <span class="s">{</span> | 
|  | 84   71   <span class="k">print</span> <span class="q">"\nProcessing SD files...\n"</span><span class="sc">;</span> | 
|  | 85   72 <span class="s">}</span> | 
|  | 86   73 <span class="k">for</span> <span class="i">$FileIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> | 
|  | 87   74   <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$FileIndex</span>]<span class="s">)</span> <span class="s">{</span> | 
|  | 88   75     <span class="k">print</span> <span class="q">"\nProcessing file $SDFilesList[$FileIndex]...\n"</span><span class="sc">;</span> | 
|  | 89   76     <span class="i">ExtractFromSDFile</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 90   77   <span class="s">}</span> | 
|  | 91   78 <span class="s">}</span> | 
|  | 92   79 <span class="k">print</span> <span class="q">"\n$ScriptName:Done...\n\n"</span><span class="sc">;</span> | 
|  | 93   80 | 
|  | 94   81 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> | 
|  | 95   82 <span class="i">$TotalTime</span> = <span class="w">timediff</span> <span class="s">(</span><span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="s">)</span><span class="sc">;</span> | 
|  | 96   83 <span class="k">print</span> <span class="q">"Total time: "</span><span class="cm">,</span> <span class="i">timestr</span><span class="s">(</span><span class="i">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span> | 
|  | 97   84 | 
|  | 98   85 <span class="c">###############################################################################</span> | 
|  | 99   86 | 
|  | 100   87 <span class="c"># Extract data from a SD file...</span> | 
|  | 101 <a name="ExtractFromSDFile-"></a>  88 <span class="k">sub </span><span class="m">ExtractFromSDFile</span> <span class="s">{</span> | 
|  | 102   89   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 103   90 | 
|  | 104   91   <span class="i">OpenInputAndOutputFiles</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 105   92 | 
|  | 106   93   <span class="j">MODE:</span> <span class="s">{</span> | 
|  | 107   94     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^AllDataFields$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 108   95       <span class="i">ExtractAllDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 109   96       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 110   97     <span class="s">}</span> | 
|  | 111   98     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^CommonDataFields$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 112   99       <span class="i">ExtractCommonDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 113  100       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 114  101     <span class="s">}</span> | 
|  | 115  102     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFields$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 116  103       <span class="i">ExtractDataFields</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 117  104       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 118  105     <span class="s">}</span> | 
|  | 119  106     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(DataFieldByList|DatafieldUniqueByList)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 120  107       <span class="i">ExtractDataFieldByList</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 121  108       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 122  109     <span class="s">}</span> | 
|  | 123  110     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldNotByList$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 124  111       <span class="i">ExtractDataFieldNotByList</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 125  112       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 126  113     <span class="s">}</span> | 
|  | 127  114     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldsByValue$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 128  115       <span class="i">ExtractDataFieldsByValue</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 129  116       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 130  117     <span class="s">}</span> | 
|  | 131  118     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldsByRegex$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 132  119       <span class="i">ExtractDataFieldsByRegex</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 133  120       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 134  121     <span class="s">}</span> | 
|  | 135  122     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RandomCmpds$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 136  123       <span class="i">ExtractRandomCompounds</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 137  124       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 138  125     <span class="s">}</span> | 
|  | 139  126     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^MolNames$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 140  127       <span class="i">ExtractMolNames</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 141  128       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 142  129     <span class="s">}</span> | 
|  | 143  130     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordNum$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 144  131       <span class="i">ExtractRecordNum</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 145  132       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 146  133     <span class="s">}</span> | 
|  | 147  134     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordNums$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 148  135       <span class="i">ExtractRecordNums</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 149  136       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 150  137     <span class="s">}</span> | 
|  | 151  138     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^RecordRange$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 152  139       <span class="i">ExtractRecordRange</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 153  140       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 154  141     <span class="s">}</span> | 
|  | 155  142     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^2DCmpdRecords$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 156  143       <span class="i">Extract2DCmpdRecords</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 157  144       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 158  145     <span class="s">}</span> | 
|  | 159  146     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^3DCmpdRecords$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 160  147       <span class="i">Extract3DCmpdRecords</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> | 
|  | 161  148       <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> | 
|  | 162  149     <span class="s">}</span> | 
|  | 163  150     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> | 
|  | 164  151   <span class="s">}</span> | 
|  | 165  152 | 
|  | 166  153   <span class="i">CloseInputAndOutputFiles</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 167  154 <span class="s">}</span> | 
|  | 168  155 | 
|  | 169  156 <span class="c"># Extract all data fields...</span> | 
|  | 170 <a name="ExtractAllDataFields-"></a> 157 <span class="k">sub </span><span class="m">ExtractAllDataFields</span> <span class="s">{</span> | 
|  | 171  158   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 172  159   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 173  160 | 
|  | 174  161   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 175  162   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 176  163 | 
|  | 177  164   <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 178  165     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 179  166     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 180  167 | 
|  | 181  168     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 182  169     <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 183  170     <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 184  171   <span class="s">}</span> | 
|  | 185  172 <span class="s">}</span> | 
|  | 186  173 | 
|  | 187  174 <span class="c"># Extract common data fields...</span> | 
|  | 188 <a name="ExtractCommonDataFields-"></a> 175 <span class="k">sub </span><span class="m">ExtractCommonDataFields</span> <span class="s">{</span> | 
|  | 189  176   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 190  177   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 191  178 | 
|  | 192  179   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 193  180   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 194  181 | 
|  | 195  182   <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 196  183     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 197  184     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 198  185 | 
|  | 199  186     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 200  187     <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 201  188     <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 202  189   <span class="s">}</span> | 
|  | 203  190 <span class="s">}</span> | 
|  | 204  191 | 
|  | 205  192 <span class="c"># Extract specified data fields...</span> | 
|  | 206 <a name="ExtractDataFields-"></a> 193 <span class="k">sub </span><span class="m">ExtractDataFields</span> <span class="s">{</span> | 
|  | 207  194   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 208  195   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 209  196 | 
|  | 210  197   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="sc">;</span> | 
|  | 211  198   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 212  199 | 
|  | 213  200   <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 214  201     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 215  202     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 216  203 | 
|  | 217  204     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 218  205     <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 219  206     <span class="i">WriteSDFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 220  207   <span class="s">}</span> | 
|  | 221  208 <span class="s">}</span> | 
|  | 222  209 | 
|  | 223  210 <span class="c"># Extract data fields using a list...</span> | 
|  | 224 <a name="ExtractDataFieldByList-"></a> 211 <span class="k">sub </span><span class="m">ExtractDataFieldByList</span> <span class="s">{</span> | 
|  | 225  212   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 226  213   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldValuesFoundCount</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldLabel</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 227  214 | 
|  | 228  215   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 229  216   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 230  217 | 
|  | 231  218   <span class="k">for</span> <span class="i">$Value</span> <span class="s">(</span><span class="k">keys</span> <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}}<span class="s">)</span> <span class="s">{</span> | 
|  | 232  219     <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$Value</span>} = <span class="q">"NotFound"</span><span class="sc">;</span> | 
|  | 233  220   <span class="s">}</span> | 
|  | 234  221   <span class="i">$SpecifiedDataFieldValuesFoundCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 235  222   <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> | 
|  | 236  223 | 
|  | 237  224   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 238  225     <span class="i">$CmpdNum</span>++<span class="sc">;</span> | 
|  | 239  226 | 
|  | 240  227     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 241  228     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 242  229 | 
|  | 243  230     <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 244  231       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 245  232     <span class="s">}</span> | 
|  | 246  233 | 
|  | 247  234     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 248  235 | 
|  | 249  236     <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> | 
|  | 250  237     <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="sc">;</span> | 
|  | 251  238 | 
|  | 252  239     <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 253  240       <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedDataFieldValuesFoundCount</span> < <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 254  241         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>} <span class="k">eq</span> <span class="q">"NotFound"</span><span class="s">)</span> <span class="s">{</span> | 
|  | 255  242           <span class="i">$SpecifiedDataFieldValuesFoundCount</span>++<span class="sc">;</span> | 
|  | 256  243           <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>} = <span class="q">"Found"</span><span class="sc">;</span> | 
|  | 257  244           <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldUniqueByList$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 258  245             <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 259  246             <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 260  247           <span class="s">}</span> | 
|  | 261  248         <span class="s">}</span> | 
|  | 262  249         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^DataFieldByList$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 263  250           <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 264  251           <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 265  252         <span class="s">}</span> | 
|  | 266  253       <span class="s">}</span> | 
|  | 267  254       <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedDataFieldValuesFoundCount</span> >= <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 268  255         <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 269  256       <span class="s">}</span> | 
|  | 270  257     <span class="s">}</span> | 
|  | 271  258   <span class="s">}</span> | 
|  | 272  259 <span class="s">}</span> | 
|  | 273  260 | 
|  | 274  261 <span class="c"># Extract data field whose values are not on the specified list...</span> | 
|  | 275 <a name="ExtractDataFieldNotByList-"></a> 262 <span class="k">sub </span><span class="m">ExtractDataFieldNotByList</span> <span class="s">{</span> | 
|  | 276  263   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 277  264   <span class="k">my</span><span class="s">(</span><span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedDataFieldLabel</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 278  265 | 
|  | 279  266   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 280  267   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 281  268 | 
|  | 282  269   <span class="i">$SpecifiedDataFieldLabel</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>}<span class="sc">;</span> | 
|  | 283  270 | 
|  | 284  271   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 285  272     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 286  273     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 287  274 | 
|  | 288  275     <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 289  276       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 290  277     <span class="s">}</span> | 
|  | 291  278 | 
|  | 292  279     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 293  280 | 
|  | 294  281     <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$SpecifiedDataFieldLabel</span>}<span class="sc">;</span> | 
|  | 295  282 | 
|  | 296  283     <span class="c"># Make sure the current value is not empty and is not only specified list of values...</span> | 
|  | 297  284     <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$CurrentValue</span><span class="s">)</span> || <span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$CurrentValue</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 298  285       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 299  286     <span class="s">}</span> | 
|  | 300  287 | 
|  | 301  288     <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 302  289     <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 303  290   <span class="s">}</span> | 
|  | 304  291 <span class="s">}</span> | 
|  | 305  292 | 
|  | 306  293 <span class="c"># Extract data fields by value...</span> | 
|  | 307 <a name="ExtractDataFieldsByValue-"></a> 294 <span class="k">sub </span><span class="m">ExtractDataFieldsByValue</span> <span class="s">{</span> | 
|  | 308  295   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 309  296   <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedCriterion</span><span class="cm">,</span> <span class="i">$SpecifiedValue</span><span class="cm">,</span> <span class="i">$ViolationCount</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 310  297 | 
|  | 311  298   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 312  299   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 313  300 | 
|  | 314  301   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 315  302     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 316  303     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 317  304 | 
|  | 318  305     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 319  306     <span class="i">$ViolationCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 320  307 | 
|  | 321  308     <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="s">)</span> <span class="s">{</span> | 
|  | 322  309       <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 323  310         <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 324  311         <span class="i">$SpecifiedCriterion</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 325  312         <span class="i">$SpecifiedValue</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 326  313 | 
|  | 327  314         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NumericalComparison</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 328  315           <span class="j">CRITERION:</span> <span class="s">{</span> | 
|  | 329  316               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> != <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 330  317               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> > <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 331  318               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> < <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 332  319               <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> | 
|  | 333  320             <span class="s">}</span> | 
|  | 334  321         <span class="s">}</span> | 
|  | 335  322         <span class="k">else</span> <span class="s">{</span> | 
|  | 336  323           <span class="j">CRITERION:</span> <span class="s">{</span> | 
|  | 337  324               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">ne</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 338  325               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">gt</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 339  326               <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedCriterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> <span class="k">lt</span> <span class="i">$SpecifiedValue</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 340  327               <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> | 
|  | 341  328             <span class="s">}</span> | 
|  | 342  329         <span class="s">}</span> | 
|  | 343  330       <span class="s">}</span> | 
|  | 344  331     <span class="s">}</span> | 
|  | 345  332     <span class="k">if</span> <span class="s">(</span><span class="i">$ViolationCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 346  333       <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 347  334       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 348  335     <span class="s">}</span> | 
|  | 349  336   <span class="s">}</span> | 
|  | 350  337 <span class="s">}</span> | 
|  | 351  338 | 
|  | 352  339 <span class="c"># Extract data fields by value using regular expression match...</span> | 
|  | 353 <a name="ExtractDataFieldsByRegex-"></a> 340 <span class="k">sub </span><span class="m">ExtractDataFieldsByRegex</span> <span class="s">{</span> | 
|  | 354  341   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 355  342   <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$CurrentValue</span><span class="cm">,</span> <span class="i">$SpecifiedRegexCriterion</span><span class="cm">,</span> <span class="i">$SpecifiedRegex</span><span class="cm">,</span> <span class="i">$ViolationCount</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 356  343 | 
|  | 357  344   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 358  345   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 359  346 | 
|  | 360  347   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 361  348     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 362  349     <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 363  350 | 
|  | 364  351     <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 365  352     <span class="i">$ViolationCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 366  353 | 
|  | 367  354     <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="s">)</span> <span class="s">{</span> | 
|  | 368  355       <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 369  356         <span class="i">$CurrentValue</span> = <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 370  357            <span class="i">$SpecifiedRegexCriterion</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 371  358            <span class="i">$SpecifiedRegex</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> | 
|  | 372  359 | 
|  | 373  360         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RegexIgnoreCase</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 374  361           <span class="j">CRITERION:</span> <span class="s">{</span> | 
|  | 375  362                  <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> !~ <span class="q">/$SpecifiedRegex/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 376  363                  <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^ne$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> =~ <span class="q">/$SpecifiedRegex/i</span><span class="s">)</span> <span class="s">{</span>  <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 377  364               <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> | 
|  | 378  365             <span class="s">}</span> | 
|  | 379  366         <span class="s">}</span> | 
|  | 380  367         <span class="k">else</span> <span class="s">{</span> | 
|  | 381  368           <span class="j">CRITERION:</span> <span class="s">{</span> | 
|  | 382  369                  <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> !~ <span class="q">/$SpecifiedRegex/</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 383  370                  <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRegexCriterion</span> =~ <span class="q">/^ne$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">if</span> <span class="s">(</span><span class="i">$CurrentValue</span> =~ <span class="q">/$SpecifiedRegex/</span><span class="s">)</span> <span class="s">{</span>  <span class="i">$ViolationCount</span>++<span class="sc">;</span> <span class="k">last</span> <span class="j">CRITERION</span><span class="sc">;</span> <span class="s">}</span> <span class="s">}</span> | 
|  | 384  371               <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> | 
|  | 385  372             <span class="s">}</span> | 
|  | 386  373         <span class="s">}</span> | 
|  | 387  374       <span class="s">}</span> | 
|  | 388  375     <span class="s">}</span> | 
|  | 389  376     <span class="k">if</span> <span class="s">(</span><span class="i">$ViolationCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 390  377       <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 391  378       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 392  379     <span class="s">}</span> | 
|  | 393  380   <span class="s">}</span> | 
|  | 394  381 <span class="s">}</span> | 
|  | 395  382 | 
|  | 396  383 <span class="c"># Extract random compounds...</span> | 
|  | 397 <a name="ExtractRandomCompounds-"></a> 384 <span class="k">sub </span><span class="m">ExtractRandomCompounds</span> <span class="s">{</span> | 
|  | 398  385   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 399  386   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$RandomCycleCount</span><span class="cm">,</span> <span class="i">$RandomIndex</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">%RandomCmpdIndexMap</span><span class="s">)</span><span class="sc">;</span> | 
|  | 400  387 | 
|  | 401  388   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 402  389   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 403  390 | 
|  | 404  391   <span class="i">$CmpdCount</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span> | 
|  | 405  392   <span class="k">srand</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Seed</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 406  393   <span class="i">$RandomCycleCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 407  394 | 
|  | 408  395   <span class="i">%RandomCmpdIndexMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 409  396   <span class="k">while</span> <span class="s">(</span><span class="i">$RandomCycleCount</span> <= <span class="i">$CmpdCount</span> && <span class="i">$RandomCycleCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">NumOfCmpds</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 410  397     <span class="i">$RandomCycleCount</span>++<span class="sc">;</span> | 
|  | 411  398     <span class="i">$RandomIndex</span> = <span class="k">int</span> <span class="s">(</span><span class="k">rand</span> <span class="i">$CmpdCount</span><span class="s">)</span> + <span class="n">1</span><span class="sc">;</span> | 
|  | 412  399     <span class="i">$RandomCmpdIndexMap</span>{<span class="i">$RandomIndex</span>} = <span class="i">$RandomIndex</span><span class="sc">;</span> | 
|  | 413  400   <span class="s">}</span> | 
|  | 414  401 | 
|  | 415  402   <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 416  403   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 417  404     <span class="i">$CmpdNum</span>++<span class="sc">;</span> | 
|  | 418  405     <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$RandomCmpdIndexMap</span>{<span class="i">$CmpdNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 419  406       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 420  407     <span class="s">}</span> | 
|  | 421  408 | 
|  | 422  409     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 423  410 | 
|  | 424  411     <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 425  412 | 
|  | 426  413     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 427  414       <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 428  415       <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 429  416       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 430  417     <span class="s">}</span> | 
|  | 431  418   <span class="s">}</span> | 
|  | 432  419 <span class="s">}</span> | 
|  | 433  420 | 
|  | 434  421 <span class="c"># Extract mol names...</span> | 
|  | 435 <a name="ExtractMolNames-"></a> 422 <span class="k">sub </span><span class="m">ExtractMolNames</span> <span class="s">{</span> | 
|  | 436  423   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 437  424   <span class="k">my</span><span class="s">(</span><span class="i">$MolName</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 438  425 | 
|  | 439  426   <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="cm">,</span> <span class="q">"MolName"</span><span class="sc">;</span> | 
|  | 440  427   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 441  428 | 
|  | 442  429   <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> | 
|  | 443  430   <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 444  431     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 445  432     <span class="i">$MolName</span> = <span class="i">QuoteAWord</span><span class="s">(</span><span class="i">ParseCmpdMolNameLine</span><span class="s">(</span><span class="i">$CmpdLines</span>[<span class="n">0</span>]<span class="s">)</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 446  433     <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$MolName\n"</span><span class="sc">;</span> | 
|  | 447  434   <span class="s">}</span> | 
|  | 448  435 <span class="s">}</span> | 
|  | 449  436 | 
|  | 450  437 <span class="c"># Extract a specific compound record...</span> | 
|  | 451 <a name="ExtractRecordNum-"></a> 438 <span class="k">sub </span><span class="m">ExtractRecordNum</span> <span class="s">{</span> | 
|  | 452  439   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 453  440   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 454  441 | 
|  | 455  442   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 456  443   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 457  444 | 
|  | 458  445   <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 459  446 | 
|  | 460  447   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 461  448     <span class="i">$CmpdNum</span>++<span class="sc">;</span> | 
|  | 462  449     <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdNum</span> != <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 463  450       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 464  451     <span class="s">}</span> | 
|  | 465  452 | 
|  | 466  453     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 467  454     <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 468  455 | 
|  | 469  456     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 470  457       <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 471  458       <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 472  459       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 473  460     <span class="s">}</span> | 
|  | 474  461     <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 475  462   <span class="s">}</span> | 
|  | 476  463 <span class="s">}</span> | 
|  | 477  464 | 
|  | 478  465 <span class="c"># Extract a specific compound records...</span> | 
|  | 479 <a name="ExtractRecordNums-"></a> 466 <span class="k">sub </span><span class="m">ExtractRecordNums</span> <span class="s">{</span> | 
|  | 480  467   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 481  468   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 482  469 | 
|  | 483  470   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 484  471   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 485  472 | 
|  | 486  473   <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 487  474   <span class="i">$CmpdCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 488  475 | 
|  | 489  476   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 490  477     <span class="i">$CmpdNum</span>++<span class="sc">;</span> | 
|  | 491  478 | 
|  | 492  479     <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$CmpdNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 493  480       <span class="i">$CmpdCount</span>++<span class="sc">;</span> | 
|  | 494  481       <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 495  482 | 
|  | 496  483       <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 497  484 | 
|  | 498  485       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 499  486         <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 500  487         <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 501  488         <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 502  489       <span class="s">}</span> | 
|  | 503  490     <span class="s">}</span> | 
|  | 504  491     <span class="k">elsif</span> <span class="s">(</span><span class="i">$CmpdNum</span> > <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} || <span class="i">$CmpdCount</span> >= <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 505  492       <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 506  493     <span class="s">}</span> | 
|  | 507  494   <span class="s">}</span> | 
|  | 508  495 <span class="s">}</span> | 
|  | 509  496 | 
|  | 510  497 | 
|  | 511  498 <span class="c"># Extract compounds in a specific record range...</span> | 
|  | 512 <a name="ExtractRecordRange-"></a> 499 <span class="k">sub </span><span class="m">ExtractRecordRange</span> <span class="s">{</span> | 
|  | 513  500   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 514  501   <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 515  502 | 
|  | 516  503   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 517  504   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 518  505 | 
|  | 519  506   <span class="i">$CmpdNum</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 520  507   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 521  508     <span class="i">$CmpdNum</span>++<span class="sc">;</span> | 
|  | 522  509 | 
|  | 523  510     <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdNum</span> >= <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} && <span class="i">$CmpdNum</span> <= <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 524  511       <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 525  512 | 
|  | 526  513       <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 527  514 | 
|  | 528  515       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 529  516         <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 530  517         <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 531  518         <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 532  519       <span class="s">}</span> | 
|  | 533  520     <span class="s">}</span> | 
|  | 534  521     <span class="k">elsif</span> <span class="s">(</span><span class="i">$CmpdNum</span> > <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 535  522       <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 536  523     <span class="s">}</span> | 
|  | 537  524   <span class="s">}</span> | 
|  | 538  525 <span class="s">}</span> | 
|  | 539  526 | 
|  | 540  527 <span class="c"># Extract 2D compound records...</span> | 
|  | 541 <a name="Extract2DCmpdRecords-"></a> 528 <span class="k">sub </span><span class="m">Extract2DCmpdRecords</span> <span class="s">{</span> | 
|  | 542  529   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 543  530   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 544  531 | 
|  | 545  532   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 546  533   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 547  534 | 
|  | 548  535 | 
|  | 549  536   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 550  537     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 551  538     <span class="k">if</span> <span class="s">(</span>!<span class="i">IsCmpd2D</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 552  539       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 553  540     <span class="s">}</span> | 
|  | 554  541 | 
|  | 555  542     <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 556  543 | 
|  | 557  544     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 558  545       <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 559  546       <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 560  547       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 561  548     <span class="s">}</span> | 
|  | 562  549   <span class="s">}</span> | 
|  | 563  550 <span class="s">}</span> | 
|  | 564  551 | 
|  | 565  552 <span class="c"># Extract 3D compound records...</span> | 
|  | 566 <a name="Extract3DCmpdRecords-"></a> 553 <span class="k">sub </span><span class="m">Extract3DCmpdRecords</span> <span class="s">{</span> | 
|  | 567  554   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 568  555   <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 569  556 | 
|  | 570  557   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}} = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$FileIndex</span>]}<span class="sc">;</span> | 
|  | 571  558   <span class="i">WriteTextFileColLabels</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 572  559 | 
|  | 573  560 | 
|  | 574  561   <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>} = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 575  562     <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 576  563     <span class="k">if</span> <span class="s">(</span>!<span class="i">IsCmpd3D</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 577  564       <span class="k">next</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 578  565     <span class="s">}</span> | 
|  | 579  566 | 
|  | 580  567     <span class="i">WriteSDFileCmpdString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 581  568 | 
|  | 582  569     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 583  570       <span class="i">%</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}} = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 584  571       <span class="i">SetupDataValues</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 585  572       <span class="i">WriteTextFileCmpdData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 586  573     <span class="s">}</span> | 
|  | 587  574   <span class="s">}</span> | 
|  | 588  575 <span class="s">}</span> | 
|  | 589  576 | 
|  | 590  577 | 
|  | 591  578 <span class="c"># Open input and output files...</span> | 
|  | 592 <a name="OpenInputAndOutputFiles-"></a> 579 <span class="k">sub </span><span class="m">OpenInputAndOutputFiles</span> <span class="s">{</span> | 
|  | 593  580   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | 
|  | 594  581 | 
|  | 595  582   <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> | 
|  | 596  583   <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> | 
|  | 597  584 | 
|  | 598  585   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} && <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 599  586     <span class="k">print</span> <span class="q">"Generating files $SDFilesInfo{NewSDFileName}[$FileIndex] and $SDFilesInfo{NewTextFileName}[$FileIndex]...\n"</span><span class="sc">;</span> | 
|  | 600  587   <span class="s">}</span> | 
|  | 601  588   <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 602  589     <span class="k">print</span> <span class="q">"Generating file $SDFilesInfo{NewSDFileName}[$FileIndex]...\n"</span><span class="sc">;</span> | 
|  | 603  590   <span class="s">}</span> | 
|  | 604  591   <span class="k">else</span> <span class="s">{</span> | 
|  | 605  592     <span class="k">print</span> <span class="q">"Generating file $SDFilesInfo{NewTextFileName}[$FileIndex]...\n"</span><span class="sc">;</span> | 
|  | 606  593   <span class="s">}</span> | 
|  | 607  594 | 
|  | 608  595   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 609  596     <span class="k">open</span> <span class="w">NEWSDFILE</span><span class="cm">,</span> <span class="q">">$SDFilesInfo{NewSDFileName}[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesInfo{NewSDFileName}[$FileIndex]: $! \n"</span><span class="sc">;</span> | 
|  | 610  597     <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = \<span class="i">*NEWSDFILE</span><span class="sc">;</span> | 
|  | 611  598   <span class="s">}</span> | 
|  | 612  599   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 613  600     <span class="k">open</span> <span class="w">NEWTEXTFILE</span><span class="cm">,</span> <span class="q">">$SDFilesInfo{NewTextFileName}[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesInfo{NewTextFileName}[$FileIndex]: $! \n"</span><span class="sc">;</span> | 
|  | 614  601     <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = \<span class="i">*NEWTEXTFILE</span><span class="sc">;</span> | 
|  | 615  602   <span class="s">}</span> | 
|  | 616  603 | 
|  | 617  604   <span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFilesList[$FileIndex]"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $SDFilesList[$FileIndex]: $! \n"</span><span class="sc">;</span> | 
|  | 618  605   <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>} = \<span class="i">*SDFILE</span><span class="sc">;</span> | 
|  | 619  606 | 
|  | 620  607 <span class="s">}</span> | 
|  | 621  608 | 
|  | 622  609 <span class="c"># Close open input and output files...</span> | 
|  | 623 <a name="CloseInputAndOutputFiles-"></a> 610 <span class="k">sub </span><span class="m">CloseInputAndOutputFiles</span> <span class="s">{</span> | 
|  | 624  611   <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 625  612     <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> | 
|  | 626  613   <span class="s">}</span> | 
|  | 627  614   <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 628  615     <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> | 
|  | 629  616   <span class="s">}</span> | 
|  | 630  617 | 
|  | 631  618   <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 632  619     <span class="k">close</span> <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>}<span class="sc">;</span> | 
|  | 633  620   <span class="s">}</span> | 
|  | 634  621 | 
|  | 635  622   <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> | 
|  | 636  623   <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> | 
|  | 637  624   <span class="i">$SDFilesInfo</span>{<span class="w">InputSDFileRef</span>} = <span class="k">undef</span><span class="sc">;</span> | 
|  | 638  625 <span class="s">}</span> | 
|  | 639  626 | 
|  | 640  627 <span class="c"># Write out column labels for text file...</span> | 
|  | 641 <a name="WriteTextFileColLabels-"></a> 628 <span class="k">sub </span><span class="m">WriteTextFileColLabels</span> <span class="s">{</span> | 
|  | 642  629   <span class="k">my</span><span class="s">(</span><span class="i">$ColLabelsLine</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span><span class="sc">;</span> | 
|  | 643  630 | 
|  | 644  631   <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 645  632     <span class="k">return</span><span class="sc">;</span> | 
|  | 646  633   <span class="s">}</span> | 
|  | 647  634   <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> | 
|  | 648  635 | 
|  | 649  636   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 650  637     <span class="c"># Append structure data string label...</span> | 
|  | 651  638     <span class="k">my</span><span class="s">(</span><span class="i">@DataLabels</span><span class="s">)</span><span class="sc">;</span> | 
|  | 652  639 | 
|  | 653  640     <span class="i">@DataLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 654  641     <span class="k">push</span> <span class="i">@DataLabels</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="sc">;</span> | 
|  | 655  642     <span class="k">push</span> <span class="i">@DataLabels</span><span class="cm">,</span> <span class="q">"StructureDataString"</span><span class="sc">;</span> | 
|  | 656  643 | 
|  | 657  644     <span class="i">$ColLabelsLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@DataLabels</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 658  645   <span class="s">}</span> | 
|  | 659  646   <span class="k">else</span> <span class="s">{</span> | 
|  | 660  647     <span class="i">$ColLabelsLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 661  648   <span class="s">}</span> | 
|  | 662  649   <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$ColLabelsLine\n"</span><span class="sc">;</span> | 
|  | 663  650 <span class="s">}</span> | 
|  | 664  651 | 
|  | 665  652 <span class="c"># Setup values for data fields...</span> | 
|  | 666 <a name="SetupDataValues-"></a> 653 <span class="k">sub </span><span class="m">SetupDataValues</span> <span class="s">{</span> | 
|  | 667  654   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataValues</span>}} = <span class="k">map</span> <span class="s">{</span> <span class="k">exists</span> <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$_</span>} ? <span class="i">$SDFilesInfo</span>{<span class="w">DataFieldValues</span>}{<span class="i">$_</span>} <span class="co">:</span> <span class="q">""</span> <span class="s">}</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="sc">;</span> | 
|  | 668  655 <span class="s">}</span> | 
|  | 669  656 | 
|  | 670  657 <span class="c"># Write out structure data and specific data fields to SD file...</span> | 
|  | 671 <a name="WriteSDFileCmpdData-"></a> 658 <span class="k">sub </span><span class="m">WriteSDFileCmpdData</span> <span class="s">{</span> | 
|  | 672  659   <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$Count</span><span class="cm">,</span> <span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span> | 
|  | 673  660 | 
|  | 674  661   <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 675  662     <span class="k">return</span><span class="sc">;</span> | 
|  | 676  663   <span class="s">}</span> | 
|  | 677  664 | 
|  | 678  665   <span class="i">$NewSDFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> | 
|  | 679  666 | 
|  | 680  667   <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"M  END"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 681  668   <span class="i">$MolString</span> .= <span class="q">"M  END"</span><span class="sc">;</span> | 
|  | 682  669   <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"$MolString\n"</span><span class="sc">;</span> | 
|  | 683  670 | 
|  | 684  671   <span class="k">for</span> <span class="i">$Count</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataLabels</span>}}<span class="s">)</span> <span class="s">{</span> | 
|  | 685  672     <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">">  <$SDFilesInfo{DataLabels}[$Count]>\n$SDFilesInfo{DataValues}[$Count]\n\n"</span><span class="sc">;</span> | 
|  | 686  673   <span class="s">}</span> | 
|  | 687  674   <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"\$\$\$\$\n"</span><span class="sc">;</span> | 
|  | 688  675 <span class="s">}</span> | 
|  | 689  676 | 
|  | 690  677 <span class="c"># Write out compound string...</span> | 
|  | 691 <a name="WriteSDFileCmpdString-"></a> 678 <span class="k">sub </span><span class="m">WriteSDFileCmpdString</span> <span class="s">{</span> | 
|  | 692  679   <span class="k">my</span><span class="s">(</span><span class="i">$NewSDFileRef</span><span class="s">)</span><span class="sc">;</span> | 
|  | 693  680 | 
|  | 694  681   <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 695  682     <span class="k">return</span><span class="sc">;</span> | 
|  | 696  683   <span class="s">}</span> | 
|  | 697  684 | 
|  | 698  685   <span class="i">$NewSDFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileRef</span>}<span class="sc">;</span> | 
|  | 699  686   <span class="k">print</span> <span class="i">$NewSDFileRef</span> <span class="q">"$SDFilesInfo{CmpdString}\n"</span><span class="sc">;</span> | 
|  | 700  687 <span class="s">}</span> | 
|  | 701  688 | 
|  | 702  689 <span class="c"># Write out data for text file...</span> | 
|  | 703 <a name="WriteTextFileCmpdData-"></a> 690 <span class="k">sub </span><span class="m">WriteTextFileCmpdData</span> <span class="s">{</span> | 
|  | 704  691   <span class="k">my</span><span class="s">(</span><span class="i">$DataValuesLine</span><span class="cm">,</span> <span class="i">$NewTextFileRef</span><span class="s">)</span><span class="sc">;</span> | 
|  | 705  692 | 
|  | 706  693   <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 707  694     <span class="k">return</span><span class="sc">;</span> | 
|  | 708  695   <span class="s">}</span> | 
|  | 709  696 | 
|  | 710  697   <span class="i">$NewTextFileRef</span> = <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileRef</span>}<span class="sc">;</span> | 
|  | 711  698   <span class="i">$DataValuesLine</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">DataValues</span>}}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 712  699 | 
|  | 713  700   <span class="c"># Handle multiple lines data values for data fields by joining 'em using semicolons...</span> | 
|  | 714  701   <span class="k">if</span> <span class="s">(</span><span class="i">$DataValuesLine</span> =~ <span class="q">/\n/</span><span class="s">)</span> <span class="s">{</span> | 
|  | 715  702     <span class="i">$DataValuesLine</span> =~ <span class="q">s/\n/;/g</span><span class="sc">;</span> | 
|  | 716  703   <span class="s">}</span> | 
|  | 717  704 | 
|  | 718  705   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 719  706     <span class="c"># Append structure data string...</span> | 
|  | 720  707     <span class="k">my</span><span class="s">(</span><span class="i">$StrDataString</span><span class="cm">,</span> <span class="i">$OutQuoteValue</span><span class="cm">,</span> <span class="i">$OutDelim</span><span class="cm">,</span> <span class="i">$StrDataStringDelimiter</span><span class="s">)</span><span class="sc">;</span> | 
|  | 721  708 | 
|  | 722  709     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrDataStringWithFields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 723  710       <span class="i">$StrDataString</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 724  711     <span class="s">}</span> | 
|  | 725  712     <span class="k">else</span> <span class="s">{</span> | 
|  | 726  713       <span class="s">(</span><span class="i">$StrDataString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"M  END"</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">CmpdString</span>}<span class="sc">;</span> | 
|  | 727  714       <span class="i">$StrDataString</span> .= <span class="q">"M  END"</span><span class="sc">;</span> | 
|  | 728  715     <span class="s">}</span> | 
|  | 729  716     <span class="i">$StrDataStringDelimiter</span> = <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringDelimiter</span>}<span class="sc">;</span> | 
|  | 730  717     <span class="i">$StrDataString</span> =~ <span class="q">s/\n/$StrDataStringDelimiter/g</span><span class="sc">;</span> | 
|  | 731  718 | 
|  | 732  719     <span class="i">$OutDelim</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="sc">;</span> | 
|  | 733  720     <span class="i">$OutQuoteValue</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} ? <span class="q">"\""</span> <span class="co">:</span> <span class="q">""</span><span class="sc">;</span> | 
|  | 734  721 | 
|  | 735  722     <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$DataValuesLine${OutDelim}${OutQuoteValue}${StrDataString}${OutQuoteValue}\n"</span><span class="sc">;</span> | 
|  | 736  723   <span class="s">}</span> | 
|  | 737  724   <span class="k">else</span> <span class="s">{</span> | 
|  | 738  725     <span class="k">print</span> <span class="i">$NewTextFileRef</span> <span class="q">"$DataValuesLine\n"</span><span class="sc">;</span> | 
|  | 739  726   <span class="s">}</span> | 
|  | 740  727 <span class="s">}</span> | 
|  | 741  728 | 
|  | 742  729 <span class="c"># Retrieve information about input SD files...</span> | 
|  | 743 <a name="RetrieveSDFilesInfo-"></a> 730 <span class="k">sub </span><span class="m">RetrieveSDFilesInfo</span> <span class="s">{</span> | 
|  | 744  731   <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$NewFileName</span><span class="cm">,</span> <span class="i">$NewSDFileName</span><span class="cm">,</span> <span class="i">$NewTextFileName</span><span class="cm">,</span> <span class="i">$CmpdCount</span><span class="s">)</span><span class="sc">;</span> | 
|  | 745  732 | 
|  | 746  733   <span class="i">%SDFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 747  734 | 
|  | 748  735   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 749  736   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 750  737   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 751  738   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 752  739 | 
|  | 753  740   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 754  741   <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 755  742 | 
|  | 756  743   <span class="j">FILELIST:</span> <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> | 
|  | 757  744     <span class="i">$SDFile</span> = <span class="i">$SDFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> | 
|  | 758  745 | 
|  | 759  746     <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> | 
|  | 760  747 | 
|  | 761  748     <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> | 
|  | 762  749     <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> | 
|  | 763  750     <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> | 
|  | 764  751 | 
|  | 765  752     <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 766  753     <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 767  754 | 
|  | 768  755     <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 769  756       <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It doesn't exist\n"</span><span class="sc">;</span> | 
|  | 770  757       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 771  758     <span class="s">}</span> | 
|  | 772  759 | 
|  | 773  760     <span class="k">if</span> <span class="s">(</span>!<span class="i">CheckFileType</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="q">"sd sdf"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 774  761       <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It's not a SD file\n"</span><span class="sc">;</span> | 
|  | 775  762       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 776  763     <span class="s">}</span> | 
|  | 777  764 | 
|  | 778  765     <span class="c"># Generate appropriate name for the new output file.</span> | 
|  | 779  766     <span class="i">$FileDir</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileName</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FileExt</span> = <span class="q">""</span><span class="sc">;</span> | 
|  | 780  767     <span class="s">(</span><span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="sc">;</span> | 
|  | 781  768     <span class="i">$NewFileName</span> = <span class="i">$FileName</span><span class="sc">;</span> | 
|  | 782  769     <span class="i">$NewFileName</span> = <span class="i">$FileName</span>  . <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>}<span class="sc">;</span> | 
|  | 783  770     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} && <span class="s">(</span><span class="i">@SDFilesList</span> == <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 784  771       <span class="k">my</span> <span class="s">(</span><span class="i">$RootFileDir</span><span class="cm">,</span> <span class="i">$RootFileName</span><span class="cm">,</span> <span class="i">$RootFileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 785  772       <span class="k">if</span> <span class="s">(</span><span class="i">$RootFileName</span> && <span class="i">$RootFileExt</span><span class="s">)</span> <span class="s">{</span> | 
|  | 786  773         <span class="i">$NewFileName</span> = <span class="i">$RootFileName</span><span class="sc">;</span> | 
|  | 787  774       <span class="s">}</span> | 
|  | 788  775       <span class="k">else</span> <span class="s">{</span> | 
|  | 789  776         <span class="i">$NewFileName</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="sc">;</span> | 
|  | 790  777       <span class="s">}</span> | 
|  | 791  778     <span class="s">}</span> | 
|  | 792  779     <span class="i">$NewSDFileName</span> = <span class="i">$NewFileName</span> . <span class="q">".$OptionsInfo{SDFileExt}"</span><span class="sc">;</span> | 
|  | 793  780     <span class="i">$NewTextFileName</span> = <span class="i">$NewFileName</span> . <span class="q">".$OptionsInfo{TextFileExt}"</span><span class="sc">;</span> | 
|  | 794  781 | 
|  | 795  782     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 796  783       <span class="k">if</span> <span class="s">(</span><span class="k">lc</span><span class="s">(</span><span class="i">$NewSDFileName</span><span class="s">)</span> <span class="k">eq</span> <span class="k">lc</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 797  784         <span class="k">warn</span> <span class="q">"Warning: Ignoring input file $SDFile: Same output, $NewSDFileName, and input file names.\n"</span><span class="sc">;</span> | 
|  | 798  785         <span class="k">print</span> <span class="q">"Specify a different name using \"-r --root\" option or use default name.\n"</span><span class="sc">;</span> | 
|  | 799  786         <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 800  787       <span class="s">}</span> | 
|  | 801  788     <span class="s">}</span> | 
|  | 802  789 | 
|  | 803  790     <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">Overwrite</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 804  791       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 805  792         <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$NewSDFileName</span><span class="s">)</span> <span class="s">{</span> | 
|  | 806  793           <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: New file, $NewSDFileName, already exists\n"</span><span class="sc">;</span> | 
|  | 807  794           <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 808  795         <span class="s">}</span> | 
|  | 809  796       <span class="s">}</span> | 
|  | 810  797       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 811  798         <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$NewTextFileName</span><span class="s">)</span> <span class="s">{</span> | 
|  | 812  799           <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: New file, $NewTextFileName, already exists\n"</span><span class="sc">;</span> | 
|  | 813  800           <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 814  801         <span class="s">}</span> | 
|  | 815  802       <span class="s">}</span> | 
|  | 816  803     <span class="s">}</span> | 
|  | 817  804 | 
|  | 818  805     <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span> | 
|  | 819  806       <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: Couldn't open it: $! \n"</span><span class="sc">;</span> | 
|  | 820  807       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> | 
|  | 821  808     <span class="s">}</span> | 
|  | 822  809 | 
|  | 823  810     <span class="k">my</span><span class="s">(</span><span class="i">$CountCmpds</span><span class="cm">,</span> <span class="i">$CollectDataFields</span><span class="s">)</span><span class="sc">;</span> | 
|  | 824  811     <span class="k">my</span><span class="s">(</span><span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">%DataFieldLabelsMap</span><span class="cm">,</span><span class="i">@CommonDataFieldLabels</span><span class="s">)</span><span class="sc">;</span> | 
|  | 825  812 | 
|  | 826  813     <span class="i">$CountCmpds</span> = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^randomcmpds$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 827  814 | 
|  | 828  815     <span class="i">$CollectDataFields</span> = <span class="s">(</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(alldatafields|commondatafields|randomcmpds)$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^(datafieldsbyvalue|datafieldsbyregex)$/i</span>  && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafieldbylist$/i</span>  && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafielduniquebylist$/i</span>  && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^datafieldnotbylist$/i</span>  && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnum$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnums$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>}<span class="s">)</span> || <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordrange$/i</span> && <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</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> | 
|  | 829  816 | 
|  | 830  817     <span class="i">$CmpdCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 831  818     <span class="k">if</span> <span class="s">(</span><span class="i">$CountCmpds</span> || <span class="i">$CollectDataFields</span><span class="s">)</span> <span class="s">{</span> | 
|  | 832  819       <span class="i">@DataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 833  820       <span class="i">@CommonDataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 834  821       <span class="i">%DataFieldLabelsMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 835  822       <span class="j">CMPDSTRING:</span> <span class="k">while</span> <span class="s">(</span><span class="i">$CmpdString</span> = <span class="i">ReadCmpdString</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 836  823         <span class="i">$CmpdCount</span>++<span class="sc">;</span> | 
|  | 837  824         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} =~ <span class="q">/^recordnum$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 838  825           <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdCount</span> == <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 839  826             <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> | 
|  | 840  827             <span class="i">@DataFieldLabels</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 841  828             <span class="k">last</span> <span class="j">CMPDSTRING</span><span class="sc">;</span> | 
|  | 842  829           <span class="s">}</span> | 
|  | 843  830         <span class="s">}</span> | 
|  | 844  831         <span class="k">if</span> <span class="s">(</span><span class="i">$CollectDataFields</span><span class="s">)</span> <span class="s">{</span> | 
|  | 845  832           <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="s">)</span><span class="sc">;</span> | 
|  | 846  833           <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> | 
|  | 847  834           <span class="c"># Process compound data header labels and figure out which ones are present for</span> | 
|  | 848  835           <span class="c"># all the compounds...</span> | 
|  | 849  836           <span class="k">if</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> | 
|  | 850  837             <span class="k">my</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span><span class="s">)</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 851  838             <span class="k">my</span><span class="s">(</span><span class="i">%CmpdDataFieldLabelsMap</span><span class="s">)</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 852  839             <span class="c"># Setup a map for the current labels...</span> | 
|  | 853  840             <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span><span class="s">)</span> <span class="s">{</span> | 
|  | 854  841               <span class="i">$CmpdDataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> | 
|  | 855  842             <span class="s">}</span> | 
|  | 856  843             <span class="c"># Check the presence old labels for this compound; otherwise, mark 'em new...</span> | 
|  | 857  844             <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> | 
|  | 858  845               <span class="k">if</span> <span class="s">(</span>!<span class="i">$CmpdDataFieldLabelsMap</span>{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 859  846                 <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> | 
|  | 860  847               <span class="s">}</span> | 
|  | 861  848             <span class="s">}</span> | 
|  | 862  849             <span class="c"># Check the presence this compound in the old labels; otherwise, add 'em...</span> | 
|  | 863  850             <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@CmpdDataFieldLabels</span> <span class="s">)</span> <span class="s">{</span> | 
|  | 864  851               <span class="k">if</span> <span class="s">(</span>!<span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 865  852                 <span class="c"># It's a new label...</span> | 
|  | 866  853                 <span class="k">push</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> | 
|  | 867  854                 <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInSome"</span><span class="sc">;</span> | 
|  | 868  855               <span class="s">}</span> | 
|  | 869  856             <span class="s">}</span> | 
|  | 870  857           <span class="s">}</span> | 
|  | 871  858           <span class="k">else</span> <span class="s">{</span> | 
|  | 872  859             <span class="c"># Get the initial label set and set up a map...</span> | 
|  | 873  860             <span class="i">@DataFieldLabels</span> = <span class="i">GetCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | 
|  | 874  861             <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> | 
|  | 875  862               <span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} = <span class="q">"PresentInAll"</span><span class="sc">;</span> | 
|  | 876  863             <span class="s">}</span> | 
|  | 877  864           <span class="s">}</span> | 
|  | 878  865           <span class="c"># Identify the common data field labels...</span> | 
|  | 879  866           <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^commondatafields$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 880  867             <span class="i">@CommonDataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 881  868             <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> | 
|  | 882  869               <span class="k">if</span> <span class="s">(</span><span class="i">$DataFieldLabelsMap</span>{<span class="i">$Label</span>} <span class="k">eq</span> <span class="q">"PresentInAll"</span><span class="s">)</span> <span class="s">{</span> | 
|  | 883  870                 <span class="k">push</span> <span class="i">@CommonDataFieldLabels</span><span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> | 
|  | 884  871               <span class="s">}</span> | 
|  | 885  872             <span class="s">}</span> | 
|  | 886  873           <span class="s">}</span> | 
|  | 887  874         <span class="s">}</span> | 
|  | 888  875       <span class="s">}</span> | 
|  | 889  876     <span class="s">}</span> | 
|  | 890  877 | 
|  | 891  878     <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span> | 
|  | 892  879 | 
|  | 893  880     <span class="i">$SDFilesInfo</span>{<span class="w">NewTextFileName</span>}[<span class="i">$Index</span>] = <span class="i">$NewTextFileName</span><span class="sc">;</span> | 
|  | 894  881     <span class="i">$SDFilesInfo</span>{<span class="w">NewSDFileName</span>}[<span class="i">$Index</span>] = <span class="i">$NewSDFileName</span><span class="sc">;</span> | 
|  | 895  882 | 
|  | 896  883     <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="i">$CmpdCount</span><span class="sc">;</span> | 
|  | 897  884 | 
|  | 898  885     <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">AllDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="sc">;</span> | 
|  | 899  886     <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CommonDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@CommonDataFieldLabels</span><span class="sc">;</span> | 
|  | 900  887 | 
|  | 901  888     <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> | 
|  | 902  889   <span class="s">}</span> | 
|  | 903  890 <span class="s">}</span> | 
|  | 904  891 | 
|  | 905  892 <span class="c"># Process options...</span> | 
|  | 906 <a name="ProcessOptions-"></a> 893 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span> | 
|  | 907  894   <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 908  895 | 
|  | 909  896   <span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} = <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span> | 
|  | 910  897 | 
|  | 911  898   <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\,"</span><span class="sc">;</span> | 
|  | 912  899   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} =~ <span class="q">/^semicolon$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 913  900     <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\;"</span><span class="sc">;</span> | 
|  | 914  901   <span class="s">}</span> | 
|  | 915  902   <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 916  903     <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>} = <span class="q">"\t"</span><span class="sc">;</span> | 
|  | 917  904   <span class="s">}</span> | 
|  | 918  905 | 
|  | 919  906   <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\,"</span><span class="sc">;</span> | 
|  | 920  907   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^semicolon$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 921  908     <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\;"</span><span class="sc">;</span> | 
|  | 922  909   <span class="s">}</span> | 
|  | 923  910   <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 924  911     <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="q">"\t"</span><span class="sc">;</span> | 
|  | 925  912   <span class="s">}</span> | 
|  | 926  913 | 
|  | 927  914   <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 928  915 | 
|  | 929  916   <span class="i">$OptionsInfo</span>{<span class="w">RegexIgnoreCase</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">regexignorecase</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 930  917 | 
|  | 931  918   <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} = <span class="i">$Options</span>{<span class="w">root</span>} ? <span class="i">$Options</span>{<span class="w">root</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> | 
|  | 932  919   <span class="i">$OptionsInfo</span>{<span class="w">Overwrite</span>} = <span class="i">$Options</span>{<span class="w">overwrite</span>} ? <span class="i">$Options</span>{<span class="w">overwrite</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> | 
|  | 933  920 | 
|  | 934  921   <span class="i">$OptionsInfo</span>{<span class="w">NumOfCmpds</span>} = <span class="i">$Options</span>{<span class="w">numofcmpds</span>}<span class="sc">;</span> | 
|  | 935  922 | 
|  | 936  923   <span class="i">$OptionsInfo</span>{<span class="w">ValueComparisonMode</span>} = <span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>}<span class="sc">;</span> | 
|  | 937  924   <span class="i">$OptionsInfo</span>{<span class="w">NumericalComparison</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} =~ <span class="q">/^Numeric$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 938  925 | 
|  | 939  926   <span class="i">$OptionsInfo</span>{<span class="w">Violations</span>} = <span class="i">$Options</span>{<span class="w">violations</span>}<span class="sc">;</span> | 
|  | 940  927   <span class="i">$OptionsInfo</span>{<span class="w">Seed</span>} = <span class="i">$Options</span>{<span class="w">seed</span>}<span class="sc">;</span> | 
|  | 941  928 | 
|  | 942  929 | 
|  | 943  930   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(datafields|datafieldsbyregex|datafieldsbyvalue|datafieldbylist|datafielduniquebylist|datafieldnotbylist)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 944  931     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>} || <span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 945  932       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>} && <span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 946  933         <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values of datafields, datafieldsbyvalue, datafieldsbyregex, datafieldbylist, datafielduniquebylist, or datafieldnotbylist specify only one of the \"-d --datafields\" or \"--datafieldsfile\" option.\n"</span><span class="sc">;</span> | 
|  | 947  934       <span class="s">}</span> | 
|  | 948  935     <span class="s">}</span> | 
|  | 949  936     <span class="k">else</span> <span class="s">{</span> | 
|  | 950  937       <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values of datafields, datafieldsbyvalue, datafieldsbyregex, datafieldbylist, datafielduniquebylist, or datafieldnotbylist specify one of the \"-d --datafields\" or \"--datafieldsfile\" option.\n"</span><span class="sc">;</span> | 
|  | 951  938     <span class="s">}</span> | 
|  | 952  939   <span class="s">}</span> | 
|  | 953  940   <span class="i">$OptionsInfo</span>{<span class="w">DataFields</span>} = <span class="i">$Options</span>{<span class="w">datafields</span>} ? <span class="i">$Options</span>{<span class="w">datafields</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> | 
|  | 954  941   <span class="i">$OptionsInfo</span>{<span class="w">DataFieldsFile</span>} = <span class="i">$Options</span>{<span class="w">datafieldsfile</span>} ? <span class="i">$Options</span>{<span class="w">datafieldsfile</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> | 
|  | 955  942 | 
|  | 956  943   <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} = <span class="n">0</span><span class="sc">;</span> | 
|  | 957  944 | 
|  | 958  945   <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 959  946   <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMin</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} = <span class="n">0</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>} = <span class="n">0</span><span class="sc">;</span> | 
|  | 960  947 | 
|  | 961  948   <span class="i">$OptionsInfo</span>{<span class="w">Record</span>} = <span class="i">$Options</span>{<span class="w">record</span>} ? <span class="i">$Options</span>{<span class="w">record</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span> | 
|  | 962  949 | 
|  | 963  950   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(recordnum|recordnums|recordrange)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 964  951     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">record</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 965  952       <span class="k">my</span><span class="s">(</span><span class="i">$Record</span><span class="cm">,</span> <span class="i">@RecordSplit</span><span class="s">)</span><span class="sc">;</span> | 
|  | 966  953 | 
|  | 967  954       <span class="i">$Record</span> = <span class="i">$Options</span>{<span class="w">record</span>}<span class="sc">;</span> | 
|  | 968  955       <span class="i">$Record</span> =~ <span class="q">s/ //g</span><span class="sc">;</span> | 
|  | 969  956 | 
|  | 970  957       <span class="i">@RecordSplit</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Record</span><span class="sc">;</span> | 
|  | 971  958 | 
|  | 972  959       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnum$/i</span> <span class="s">)</span> <span class="s">{</span> | 
|  | 973  960         <span class="k">if</span> <span class="s">(</span><span class="i">@RecordSplit</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> | 
|  | 974  961           <span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> | 
|  | 975  962           <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RecordNum</span>} <= <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | 
|  | 976  963             <span class="k">die</span> <span class="q">"Error: The value specified, $OptionsInfo{RecordNum},  for option \"--records\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span> | 
|  | 977  964           <span class="s">}</span> | 
|  | 978  965         <span class="s">}</span> | 
|  | 979  966         <span class="k">else</span> <span class="s">{</span> | 
|  | 980  967           <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@RecordSplit</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified using \"--record\" option: only 1 value is allowed.\n"</span><span class="sc">;</span> | 
|  | 981  968         <span class="s">}</span> | 
|  | 982  969       <span class="s">}</span> | 
|  | 983  970       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnums$/i</span> <span class="s">)</span> <span class="s">{</span> | 
|  | 984  971         <span class="k">my</span><span class="s">(</span><span class="i">$RecordNum</span><span class="cm">,</span> <span class="i">$RecordCount</span><span class="cm">,</span> <span class="i">@SortedRecordSplit</span><span class="s">)</span><span class="sc">;</span> | 
|  | 985  972 | 
|  | 986  973         <span class="i">@SortedRecordSplit</span> = <span class="k">sort</span> <span class="s">{</span> <span class="i">$a</span> <=> <span class="i">$b</span> <span class="s">}</span> <span class="i">@RecordSplit</span><span class="sc">;</span> | 
|  | 987  974 | 
|  | 988  975         <span class="i">$RecordCount</span> = <span class="n">0</span><span class="sc">;</span> | 
|  | 989  976         <span class="j">RECORDNUM:</span> <span class="k">for</span> <span class="i">$RecordNum</span> <span class="s">(</span><span class="i">@SortedRecordSplit</span><span class="s">)</span> <span class="s">{</span> | 
|  | 990  977           <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$RecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 991  978             <span class="k">next</span> <span class="j">RECORDNUM</span><span class="sc">;</span> | 
|  | 992  979           <span class="s">}</span> | 
|  | 993  980           <span class="i">$RecordCount</span>++<span class="sc">;</span> | 
|  | 994  981           <span class="i">$OptionsInfo</span>{<span class="w">RecordNums</span>}{<span class="i">$RecordNum</span>} = <span class="i">$RecordNum</span><span class="sc">;</span> | 
|  | 995  982         <span class="s">}</span> | 
|  | 996  983         <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsCount</span>} = <span class="i">$RecordCount</span><span class="sc">;</span> | 
|  | 997  984         <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMin</span>} = <span class="i">$SortedRecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> | 
|  | 998  985         <span class="i">$OptionsInfo</span>{<span class="w">RecordNumsMax</span>} = <span class="i">$SortedRecordSplit</span>[<span class="i">$#SortedRecordSplit</span>]<span class="sc">;</span> | 
|  | 999  986       <span class="s">}</span> | 
|  | 1000  987       <span class="k">else</span> <span class="s">{</span> | 
|  | 1001  988         <span class="k">if</span> <span class="s">(</span><span class="i">@RecordSplit</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1002  989           <span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">0</span>]<span class="sc">;</span> | 
|  | 1003  990           <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} = <span class="i">$RecordSplit</span>[<span class="n">1</span>]<span class="sc">;</span> | 
|  | 1004  991           <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} <= <span class="n">0</span> || <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>} <= <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1005  992             <span class="k">die</span> <span class="q">"Error: The value pair specified, $Options{record},  for option \"--records\" is not valid. Allowed values: > 0 \n"</span><span class="sc">;</span> | 
|  | 1006  993           <span class="s">}</span> | 
|  | 1007  994         <span class="s">}</span> | 
|  | 1008  995         <span class="k">else</span> <span class="s">{</span> | 
|  | 1009  996           <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@RecordSplit</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified using \"--record\" option: only 2 values is allowed.\n"</span><span class="sc">;</span> | 
|  | 1010  997         <span class="s">}</span> | 
|  | 1011  998         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StartRecordNum</span>} > <span class="i">$OptionsInfo</span>{<span class="w">EndRecordNum</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1012  999           <span class="k">die</span> <span class="q">"Error: Start record number, $OptionsInfo{StartRecordNum}, must be smaller than end record number, $OptionsInfo{EndRecordNum}.\nSpecify different values using \"--record\" option.\n"</span><span class="sc">;</span> | 
|  | 1013 1000         <span class="s">}</span> | 
|  | 1014 1001       <span class="s">}</span> | 
|  | 1015 1002     <span class="s">}</span> | 
|  | 1016 1003     <span class="k">else</span> <span class="s">{</span> | 
|  | 1017 1004       <span class="k">die</span> <span class="q">"Error: For \"-m --mode\" option values recordnum, recordnums or recordrange, specify \"--record\" option value.\n"</span><span class="sc">;</span> | 
|  | 1018 1005     <span class="s">}</span> | 
|  | 1019 1006   <span class="s">}</span> | 
|  | 1020 1007 | 
|  | 1021 1008   <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1022 1009 | 
|  | 1023 1010   <span class="k">my</span><span class="s">(</span><span class="i">@Words</span><span class="cm">,</span> <span class="i">$Line</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1024 1011   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafields$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1025 1012     <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1026 1013     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1027 1014       <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> | 
|  | 1028 1015     <span class="s">}</span> | 
|  | 1029 1016     <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1030 1017       <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> | 
|  | 1031 1018       <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1032 1019         <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1033 1020         <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1034 1021           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> | 
|  | 1035 1022         <span class="s">}</span> | 
|  | 1036 1023       <span class="s">}</span> | 
|  | 1037 1024       <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> | 
|  | 1038 1025     <span class="s">}</span> | 
|  | 1039 1026   <span class="s">}</span> | 
|  | 1040 1027   <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyvalue$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1041 1028     <span class="k">my</span><span class="s">(</span><span class="i">@DataFieldsByValueTriplets</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1042 1029     <span class="i">@DataFieldsByValueTriplets</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1043 1030     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1044 1031       <span class="i">@DataFieldsByValueTriplets</span> = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> | 
|  | 1045 1032     <span class="s">}</span> | 
|  | 1046 1033     <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1047 1034       <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> | 
|  | 1048 1035       <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1049 1036         <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1050 1037         <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1051 1038           <span class="k">push</span> <span class="i">@DataFieldsByValueTriplets</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> | 
|  | 1052 1039         <span class="s">}</span> | 
|  | 1053 1040       <span class="s">}</span> | 
|  | 1054 1041       <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> | 
|  | 1055 1042     <span class="s">}</span> | 
|  | 1056 1043     <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@DataFieldsByValueTriplets</span> % <span class="n">3</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1057 1044       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1058 1045         <span class="k">die</span> <span class="q">"Error: Triplets not found in values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> | 
|  | 1059 1046       <span class="s">}</span> | 
|  | 1060 1047       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1061 1048         <span class="k">die</span> <span class="q">"Error: Triplets not found in values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> | 
|  | 1062 1049       <span class="s">}</span> | 
|  | 1063 1050     <span class="s">}</span> | 
|  | 1064 1051     <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1065 1052 | 
|  | 1066 1053     <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1067 1054     <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1068 1055     <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1069 1056 | 
|  | 1070 1057     <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldsByValueTriplets</span><span class="sc">;</span> <span class="i">$Index</span> = <span class="i">$Index</span> + <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1071 1058       <span class="i">$Label</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span>]<span class="sc">;</span> | 
|  | 1072 1059       <span class="i">$Value</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> | 
|  | 1073 1060       <span class="i">$Criterion</span> = <span class="i">$DataFieldsByValueTriplets</span>[<span class="i">$Index</span> + <span class="n">2</span>]<span class="sc">;</span> | 
|  | 1074 1061 | 
|  | 1075 1062       <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^(eq|le|ge)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1076 1063         <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> | 
|  | 1077 1064         <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesMap</span>}{<span class="i">$Label</span>} = <span class="i">$Value</span><span class="sc">;</span> | 
|  | 1078 1065         <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldCriteriaMap</span>}{<span class="i">$Label</span>} = <span class="i">$Criterion</span><span class="sc">;</span> | 
|  | 1079 1066       <span class="s">}</span> | 
|  | 1080 1067       <span class="k">else</span> <span class="s">{</span> | 
|  | 1081 1068         <span class="k">warn</span> <span class="q">"Warning: Ignoring triplet value, $Label $Value $Criterion , specified using \"-d --datafields\" or \"--datafieldsfile\" option: Invalid criterion value: $Criterion\n"</span><span class="sc">;</span> | 
|  | 1082 1069       <span class="s">}</span> | 
|  | 1083 1070     <span class="s">}</span> | 
|  | 1084 1071   <span class="s">}</span> | 
|  | 1085 1072   <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyregex$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1086 1073     <span class="k">my</span><span class="s">(</span><span class="i">@DataFieldsByRegexTriplets</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1087 1074 | 
|  | 1088 1075     <span class="i">@DataFieldsByRegexTriplets</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1089 1076     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1090 1077       <span class="i">@DataFieldsByRegexTriplets</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span><span class="sc">;</span> | 
|  | 1091 1078     <span class="s">}</span> | 
|  | 1092 1079     <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1093 1080       <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> | 
|  | 1094 1081       <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1095 1082           <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1096 1083           <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1097 1084             <span class="k">push</span> <span class="i">@DataFieldsByRegexTriplets</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> | 
|  | 1098 1085           <span class="s">}</span> | 
|  | 1099 1086       <span class="s">}</span> | 
|  | 1100 1087       <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> | 
|  | 1101 1088     <span class="s">}</span> | 
|  | 1102 1089     <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@DataFieldsByRegexTriplets</span> % <span class="n">3</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1103 1090       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1104 1091           <span class="k">die</span> <span class="q">"Error: Triplet not found in values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> | 
|  | 1105 1092       <span class="s">}</span> | 
|  | 1106 1093       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1107 1094           <span class="k">die</span> <span class="q">"Error: Triplet not found in values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> | 
|  | 1108 1095       <span class="s">}</span> | 
|  | 1109 1096     <span class="s">}</span> | 
|  | 1110 1097 | 
|  | 1111 1098     <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1112 1099 | 
|  | 1113 1100     <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1114 1101     <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1115 1102     <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1116 1103 | 
|  | 1117 1104     <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldsByRegexTriplets</span><span class="sc">;</span> <span class="i">$Index</span> = <span class="i">$Index</span> + <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1118 1105       <span class="i">$Label</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span>]<span class="sc">;</span> | 
|  | 1119 1106       <span class="i">$Value</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> | 
|  | 1120 1107       <span class="i">$Criterion</span> = <span class="i">$DataFieldsByRegexTriplets</span>[<span class="i">$Index</span> + <span class="n">2</span>]<span class="sc">;</span> | 
|  | 1121 1108 | 
|  | 1122 1109       <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^(eq|ne)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1123 1110           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> | 
|  | 1124 1111           <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexMap</span>}{<span class="i">$Label</span>} = <span class="i">$Value</span><span class="sc">;</span> | 
|  | 1125 1112           <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldRegexCriteriaMap</span>}{<span class="i">$Label</span>} = <span class="i">$Criterion</span><span class="sc">;</span> | 
|  | 1126 1113       <span class="s">}</span> | 
|  | 1127 1114       <span class="k">else</span> <span class="s">{</span> | 
|  | 1128 1115           <span class="k">warn</span> <span class="q">"Warning: Ignoring triplet value, $Label $Value $Criterion , specified using \"-d --datafields\" or \"--datafieldsfile\" option: Invalid criterion value: $Criterion; Supported values: eq or ne\n"</span><span class="sc">;</span> | 
|  | 1129 1116       <span class="s">}</span> | 
|  | 1130 1117     <span class="s">}</span> | 
|  | 1131 1118   <span class="s">}</span> | 
|  | 1132 1119   <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(datafieldbylist|datafielduniquebylist|datafieldnotbylist)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1133 1120     <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">@DataFieldAndValuesList</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1134 1121     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1135 1122       <span class="i">@DataFieldAndValuesList</span> = <span class="k">split</span> <span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="i">$Options</span>{<span class="w">datafields</span>}<span class="sc">;</span> | 
|  | 1136 1123     <span class="s">}</span> | 
|  | 1137 1124     <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1138 1125       <span class="k">open</span> <span class="w">DATAFIELDSFILE</span><span class="cm">,</span> <span class="q">"$Options{datafieldsfile}"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't open $Options{datafieldsfile}: $! \n"</span><span class="sc">;</span> | 
|  | 1139 1126       <span class="k">while</span> <span class="s">(</span><span class="i">$Line</span> = <span class="i">GetTextLine</span><span class="s">(</span>\<span class="i">*DATAFIELDSFILE</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1140 1127         <span class="i">@Words</span> = <span class="i">quotewords</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">InDelim</span>}<span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Line</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1141 1128         <span class="k">if</span> <span class="s">(</span><span class="i">@Words</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1142 1129           <span class="k">push</span> <span class="i">@DataFieldAndValuesList</span><span class="cm">,</span> <span class="i">@Words</span><span class="sc">;</span> | 
|  | 1143 1130         <span class="s">}</span> | 
|  | 1144 1131       <span class="s">}</span> | 
|  | 1145 1132       <span class="k">close</span> <span class="w">DATAFIELDSFILE</span><span class="sc">;</span> | 
|  | 1146 1133     <span class="s">}</span> | 
|  | 1147 1134     <span class="k">if</span> <span class="s">(</span><span class="i">@DataFieldAndValuesList</span> < <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1148 1135       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1149 1136         <span class="k">die</span> <span class="q">"Error: Invalid number of values specified by \"-d --datafields\" option\n"</span><span class="sc">;</span> | 
|  | 1150 1137       <span class="s">}</span> | 
|  | 1151 1138       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">datafieldsfile</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1152 1139         <span class="k">die</span> <span class="q">"Error: Invalid number values specified by \"--datafieldsfile\" option\n"</span><span class="sc">;</span> | 
|  | 1153 1140       <span class="s">}</span> | 
|  | 1154 1141     <span class="s">}</span> | 
|  | 1155 1142 | 
|  | 1156 1143     <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldLabel</span>} = <span class="i">$DataFieldAndValuesList</span>[<span class="n">0</span>]<span class="sc">;</span> | 
|  | 1157 1144     <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValuesCount</span>} = <span class="i">@DataFieldAndValuesList</span> - <span class="n">1</span><span class="sc">;</span> | 
|  | 1158 1145     <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1159 1146 | 
|  | 1160 1147     <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">1</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@DataFieldAndValuesList</span><span class="sc">;</span> <span class="i">$Index</span>++<span class="s">)</span> <span class="s">{</span> | 
|  | 1161 1148       <span class="i">$Value</span> = <span class="i">$DataFieldAndValuesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> | 
|  | 1162 1149       <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFieldValues</span>}{<span class="i">$Value</span>} = <span class="q">"NotFound"</span><span class="sc">;</span> | 
|  | 1163 1150     <span class="s">}</span> | 
|  | 1164 1151   <span class="s">}</span> | 
|  | 1165 1152 | 
|  | 1166 1153   <span class="i">$OptionsInfo</span>{<span class="w">SDFileExt</span>} = <span class="q">"sdf"</span><span class="sc">;</span> | 
|  | 1167 1154   <span class="i">$OptionsInfo</span>{<span class="w">TextFileExt</span>} = <span class="q">"csv"</span><span class="sc">;</span> | 
|  | 1168 1155 | 
|  | 1169 1156   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1170 1157     <span class="i">$OptionsInfo</span>{<span class="w">TextFileExt</span>} = <span class="q">"tsv"</span><span class="sc">;</span> | 
|  | 1171 1158   <span class="s">}</span> | 
|  | 1172 1159 | 
|  | 1173 1160   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(alldatafields|molnames)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1174 1161     <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>} = <span class="n">0</span><span class="sc">;</span> | 
|  | 1175 1162     <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} = <span class="n">1</span><span class="sc">;</span> | 
|  | 1176 1163   <span class="s">}</span> | 
|  | 1177 1164   <span class="k">else</span> <span class="s">{</span> | 
|  | 1178 1165     <span class="i">$OptionsInfo</span>{<span class="w">OutputSDFile</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^(SD|both)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 1179 1166     <span class="i">$OptionsInfo</span>{<span class="w">OutputTextFile</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^(text|both)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 1180 1167   <span class="s">}</span> | 
|  | 1181 1168 | 
|  | 1182 1169   <span class="i">$OptionsInfo</span>{<span class="w">StrDataString</span>} = <span class="i">$Options</span>{<span class="w">strdatastring</span>}<span class="sc">;</span> | 
|  | 1183 1170   <span class="i">$OptionsInfo</span>{<span class="w">OutputStrDataString</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastring</span>} =~ <span class="q">/^Yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 1184 1171 | 
|  | 1185 1172   <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringDelimiter</span>} = <span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>}<span class="sc">;</span> | 
|  | 1186 1173 | 
|  | 1187 1174   <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1188 1175     <span class="k">die</span> <span class="q">"Error: No value specified for \"--StrDataStringDelimiter\" option.\n"</span><span class="sc">;</span> | 
|  | 1189 1176   <span class="s">}</span> | 
|  | 1190 1177   <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringMode</span>} = <span class="i">$Options</span>{<span class="w">strdatastringmode</span>}<span class="sc">;</span> | 
|  | 1191 1178   <span class="i">$OptionsInfo</span>{<span class="w">StrDataStringWithFields</span>} = <span class="i">$Options</span>{<span class="w">strdatastringmode</span>} =~ <span class="q">/^StrAndDataFields$/i</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | 
|  | 1192 1179 | 
|  | 1193 1180   <span class="j">MODE:</span> <span class="s">{</span> | 
|  | 1194 1181     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^alldatafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"AllDataDields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1195 1182     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^commondatafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"CommonDataDields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1196 1183     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafields$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFields"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1197 1184     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyvalue$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldsByValue"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1198 1185     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldsbyregex$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldsByRegex"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1199 1186     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldbylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataField"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1200 1187     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafielduniquebylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedUniqueDataField"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1201 1188     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^datafieldnotbylist$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"SpecifiedDataFieldNotByList"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1202 1189     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^molnames$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"MolName"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1203 1190     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^randomcmpds$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RandomCmpds"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1204 1191     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnum$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNum$OptionsInfo{RecordNum}"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1205 1192     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordnums$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNums"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1206 1193     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^recordrange$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"RecordNum$OptionsInfo{StartRecordNum}"</span> . <span class="q">"To"</span> . <span class="q">"$OptionsInfo{EndRecordNum}"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1207 1194     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^2dcmpdrecords$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"2DCmpdRecords"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1208 1195     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^3dcmpdrecords$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$OptionsInfo</span>{<span class="w">FileNameMode</span>} = <span class="q">"3DCmpdRecords"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span> | 
|  | 1209 1196     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, , datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> | 
|  | 1210 1197   <span class="s">}</span> | 
|  | 1211 1198 | 
|  | 1212 1199 <span class="s">}</span> | 
|  | 1213 1200 | 
|  | 1214 1201 <span class="c"># Setup script usage  and retrieve command line arguments specified using various options...</span> | 
|  | 1215 <a name="SetupScriptUsage-"></a>1202 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span> | 
|  | 1216 1203 | 
|  | 1217 1204   <span class="c"># Retrieve all the options...</span> | 
|  | 1218 1205   <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | 
|  | 1219 1206   <span class="i">$Options</span>{<span class="w">numofcmpds</span>} = <span class="n">1</span><span class="sc">;</span> | 
|  | 1220 1207   <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">"alldatafields"</span><span class="sc">;</span> | 
|  | 1221 1208   <span class="i">$Options</span>{<span class="w">indelim</span>} = <span class="q">"comma"</span><span class="sc">;</span> | 
|  | 1222 1209   <span class="i">$Options</span>{<span class="w">outdelim</span>} = <span class="q">"comma"</span><span class="sc">;</span> | 
|  | 1223 1210   <span class="i">$Options</span>{<span class="w">output</span>} = <span class="q">"SD"</span><span class="sc">;</span> | 
|  | 1224 1211   <span class="i">$Options</span>{<span class="w">quote</span>} = <span class="q">"yes"</span><span class="sc">;</span> | 
|  | 1225 1212   <span class="i">$Options</span>{<span class="w">regexignorecase</span>} = <span class="q">"yes"</span><span class="sc">;</span> | 
|  | 1226 1213   <span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} = <span class="q">"numeric"</span><span class="sc">;</span> | 
|  | 1227 1214   <span class="i">$Options</span>{<span class="w">violations</span>} = <span class="n">0</span><span class="sc">;</span> | 
|  | 1228 1215   <span class="i">$Options</span>{<span class="w">seed</span>} = <span class="n">123456789</span><span class="sc">;</span> | 
|  | 1229 1216 | 
|  | 1230 1217   <span class="i">$Options</span>{<span class="w">strdatastring</span>} = <span class="q">"no"</span><span class="sc">;</span> | 
|  | 1231 1218   <span class="i">$Options</span>{<span class="w">strdatastringdelimiter</span>} = <span class="q">"|"</span><span class="sc">;</span> | 
|  | 1232 1219   <span class="i">$Options</span>{<span class="w">strdatastringmode</span>} = <span class="q">"StrOnly"</span><span class="sc">;</span> | 
|  | 1233 1220 | 
|  | 1234 1221   <span class="k">if</span> <span class="s">(</span>!<span class="i">GetOptions</span><span class="s">(</span>\<span class="i">%Options</span><span class="cm">,</span> <span class="q">"help|h"</span><span class="cm">,</span> <span class="q">"datafields|d=s"</span><span class="cm">,</span> <span class="q">"datafieldsfile=s"</span><span class="cm">,</span> <span class="q">"indelim=s"</span><span class="cm">,</span> <span class="q">"mode|m=s"</span><span class="cm">,</span> <span class="q">"numofcmpds|n=i"</span><span class="cm">,</span> <span class="q">"outdelim=s"</span><span class="cm">,</span> <span class="q">"output=s"</span><span class="cm">,</span> <span class="q">"overwrite|o"</span><span class="cm">,</span> <span class="q">"quote|q=s"</span><span class="cm">,</span> <span class="q">"regexignorecase=s"</span><span class="cm">,</span> <span class="q">"record=s"</span><span class="cm">,</span> <span class="q">"root|r=s"</span><span class="cm">,</span> <span class="q">"seed|s=i"</span><span class="cm">,</span> <span class="q">"strdatastring=s"</span><span class="cm">,</span> <span class="q">"strdatastringdelimiter=s"</span><span class="cm">,</span> <span class="q">"strdatastringmode=s"</span><span class="cm">,</span> <span class="q">"valuecomparisonmode=s"</span><span class="cm">,</span> <span class="q">"violations|v=i"</span><span class="cm">,</span> <span class="q">"workingdir|w=s"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1235 1222     <span class="k">die</span> <span class="q">"\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n"</span><span class="sc">;</span> | 
|  | 1236 1223   <span class="s">}</span> | 
|  | 1237 1224   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1238 1225     <span class="k">if</span> <span class="s">(</span>! <span class="k">-d</span> <span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span> | 
|  | 1239 1226       <span class="k">die</span> <span class="q">"Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"</span><span class="sc">;</span> | 
|  | 1240 1227     <span class="s">}</span> | 
|  | 1241 1228     <span class="k">chdir</span> <span class="i">$Options</span>{<span class="w">workingdir</span>} <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't chdir $Options{workingdir}: $! \n"</span><span class="sc">;</span> | 
|  | 1242 1229   <span class="s">}</span> | 
|  | 1243 1230   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">numofcmpds</span>} < <span class="n">1</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1244 1231     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{numofcmpds},  for option \"-n --numofcmpds\" is not valid. Allowed values: >= 1 \n"</span><span class="sc">;</span> | 
|  | 1245 1232   <span class="s">}</span> | 
|  | 1246 1233   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">valuecomparisonmode</span>} !~ <span class="q">/^(Numeric|Alphanumeric)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1247 1234     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{valuecomparisonmode}, for option \"--ValueComparisonMode\" is not valid. Allowed values: Numeric or Alphanumeric\n"</span><span class="sc">;</span> | 
|  | 1248 1235   <span class="s">}</span> | 
|  | 1249 1236   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">violations</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1250 1237     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{violations},  for option \"-v --violations\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> | 
|  | 1251 1238   <span class="s">}</span> | 
|  | 1252 1239   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(alldatafields|commondatafields|datafields|datafieldsbyvalue|datafieldsbyregex|datafieldbylist|datafielduniquebylist|datafieldnotbylist|molnames|randomcmpds|recordnum|recordnums|recordrange|2dcmpdrecords|3dcmpdrecords)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1253 1240     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: alldatafields, commondatafields, datafields, datafieldsbyvalue, datafieldbylist, datafielduniquebylist, datafieldnotbylist, molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords\n"</span><span class="sc">;</span> | 
|  | 1254 1241   <span class="s">}</span> | 
|  | 1255 1242   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} !~ <span class="q">/^(SD|text|both)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1256 1243     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{output}, for option \"--output\" is not valid. Allowed values: SD, text, or both\n"</span><span class="sc">;</span> | 
|  | 1257 1244   <span class="s">}</span> | 
|  | 1258 1245   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">indelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1259 1246     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{indelim}, for option \"--indelim\" is not valid. Allowed values: comma, tab, or semicolon\n"</span><span class="sc">;</span> | 
|  | 1260 1247   <span class="s">}</span> | 
|  | 1261 1248   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1262 1249     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{outdelim}, for option \"--outdelim\" is not valid. Allowed values: comma, tab, or semicolon\n"</span><span class="sc">;</span> | 
|  | 1263 1250   <span class="s">}</span> | 
|  | 1264 1251   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1265 1252     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{quote}, for option \"-q --quote\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> | 
|  | 1266 1253   <span class="s">}</span> | 
|  | 1267 1254   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">regexignorecase</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1268 1255     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{regexignorecase}, for option \"--regexignorecase\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> | 
|  | 1269 1256   <span class="s">}</span> | 
|  | 1270 1257   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastring</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1271 1258     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strdatastring}, for option \"--StrDataString\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> | 
|  | 1272 1259   <span class="s">}</span> | 
|  | 1273 1260   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strdatastringmode</span>} !~ <span class="q">/^(StrOnly|StrAndDataFields)$/i</span><span class="s">)</span> <span class="s">{</span> | 
|  | 1274 1261     <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strdatastringmode}, for option \"--StrDataStringMode\" is not valid. Allowed values: StrOnly or StrAndDataFields\n"</span><span class="sc">;</span> | 
|  | 1275 1262   <span class="s">}</span> | 
|  | 1276 1263 <span class="s">}</span> | 
|  | 1277 1264 | 
|  | 1278 <a name="EOF-"></a></pre> | 
|  | 1279 <p> </p> | 
|  | 1280 <br /> | 
|  | 1281 <center> | 
|  | 1282 <img src="../../../images/h2o2.png"> | 
|  | 1283 </center> | 
|  | 1284 </body> | 
|  | 1285 </html> |