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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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<html> <head> <title>MayaChemTools:Code:SDFilesToHTML.pl</title> <meta http-equiv="content-type" content="text/html;charset=utf-8"> <link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css"> </head> <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> <br/> <center> <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> </center> <br/> <pre> 1 #!/usr/bin/perl -w 2 <span class="c">#</span> 3 <span class="c"># $RCSfile: SDFilesToHTML.pl,v $</span> 4 <span class="c"># $Date: 2015/02/28 20:46:20 $</span> 5 <span class="c"># $Revision: 1.50 $</span> 6 <span class="c">#</span> 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> 8 <span class="c">#</span> 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> 10 <span class="c">#</span> 11 <span class="c"># This file is part of MayaChemTools.</span> 12 <span class="c">#</span> 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> 16 <span class="c"># later version.</span> 17 <span class="c">#</span> 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span> 21 <span class="c"># details.</span> 22 <span class="c">#</span> 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> 26 <span class="c"># Boston, MA, 02111-1307, USA.</span> 27 <span class="c">#</span> 28 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> 30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">"$FindBin::Bin/../lib"</span><span class="sc">;</span> 31 <span class="k">use</span> <span class="w">Getopt::Long</span><span class="sc">;</span> 32 <span class="k">use</span> <span class="w">File::Basename</span><span class="sc">;</span> 33 <span class="k">use</span> <span class="w">File::Spec</span><span class="sc">;</span> 34 <span class="k">use</span> <span class="w">Text::ParseWords</span><span class="sc">;</span> 35 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span> 36 <span class="k">use</span> <span class="w">Cwd</span><span class="sc">;</span> 37 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span> 38 <span class="k">use</span> <span class="w">SDFileUtil</span><span class="sc">;</span> 39 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span> 40 <span class="k">use</span> <span class="w">HTMLUtil</span><span class="sc">;</span> 41 42 <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> 43 44 <span class="c"># Autoflush STDOUT</span> 45 <span class="i">$|</span> = <span class="n">1</span><span class="sc">;</span> 46 47 <span class="c"># Starting message...</span> 48 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span> 49 <span class="k">print</span> <span class="q">"\n$ScriptName: Starting...\n\n"</span><span class="sc">;</span> 50 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> 51 52 <span class="c"># Get the options and setup script...</span> 53 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 54 <span class="k">if</span> <span class="s">(</span><span class="i">$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> 55 <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> 56 <span class="s">}</span> 57 58 <span class="k">my</span><span class="s">(</span><span class="i">@SDFilesList</span><span class="s">)</span><span class="sc">;</span> 59 <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> 60 61 <span class="c">#Make sure appropriate mode specific option values are specified...</span> 62 <span class="k">print</span> <span class="q">"Processing options...\n"</span><span class="sc">;</span> 63 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span> 64 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 65 66 <span class="c"># Collect information about SD files...</span> 67 <span class="k">print</span> <span class="q">"Checking input SD file(s)...\n"</span><span class="sc">;</span> 68 <span class="k">my</span><span class="s">(</span><span class="i">%SDFilesInfo</span><span class="s">)</span><span class="sc">;</span> 69 <span class="i">RetrieveSDFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 70 <span class="i">SetupMultipleTablesAndMiscInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 71 72 <span class="c"># Generate output files...</span> 73 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> 74 <span class="k">if</span> <span class="s">(</span><span class="i">@SDFilesList</span> > <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 75 <span class="k">print</span> <span class="q">"\nProcessing SD files...\n"</span><span class="sc">;</span> 76 <span class="s">}</span> 77 <span class="k">for</span> <span class="i">$FileIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> 78 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$FileIndex</span>]<span class="s">)</span> <span class="s">{</span> 79 <span class="k">print</span> <span class="q">"\nProcessing file $SDFilesList[$FileIndex]...\n"</span><span class="sc">;</span> 80 <span class="i">GenerateHTMLTable</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span> 81 <span class="s">}</span> 82 <span class="s">}</span> 83 <span class="k">print</span> <span class="q">"\n$ScriptName:Done...\n\n"</span><span class="sc">;</span> 84 85 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span> 86 <span class="i">$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> 87 <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">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">"\n"</span><span class="sc">;</span> 88 89 <span class="c">###############################################################################</span> 90 91 <span class="c"># Generate HTML table(s)...</span> <a name="GenerateHTMLTable-"></a> 92 <span class="k">sub </span><span class="m">GenerateHTMLTable</span> <span class="s">{</span> 93 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 94 95 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> 96 <span class="i">GenerateMultipleHTMLTables</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> 97 <span class="s">}</span> 98 <span class="k">else</span> <span class="s">{</span> 99 <span class="i">GenerateOneHTMLTable</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> 100 <span class="s">}</span> 101 <span class="s">}</span> 102 103 <span class="c"># Generate one HTML table...</span> <a name="GenerateOneHTMLTable-"></a> 104 <span class="k">sub </span><span class="m">GenerateOneHTMLTable</span> <span class="s">{</span> 105 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 106 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$TopHTMLDir</span><span class="cm">,</span> <span class="i">$HTMLFile</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$CSSFile</span><span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">$CSSFilePath</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="s">)</span><span class="sc">;</span> 107 108 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">".html"</span><span class="sc">;</span> 109 <span class="i">$SDFile</span> = <span class="i">$SDFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> 110 111 <span class="c"># Setup data directories...</span> 112 <span class="s">(</span><span class="i">$TopHTMLDir</span><span class="s">)</span> = <span class="i">SetupDataDirs</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> 113 114 <span class="c"># Setup stylesheet file...</span> 115 <span class="i">$CSSRef</span> = <span class="q">""</span><span class="sc">;</span> 116 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^new$/i</span><span class="s">)</span> <span class="s">{</span> 117 <span class="i">$CSSFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">".css"</span><span class="sc">;</span> <span class="i">$CSSRef</span> = <span class="q">".\/"</span> . <span class="q">"$CSSFile"</span><span class="sc">;</span> 118 <span class="i">$CSSFilePath</span> = <span class="q">"$TopHTMLDir"</span> . <span class="q">"\/"</span> . <span class="i">$CSSFile</span><span class="sc">;</span> 119 <span class="i">GenerateStyleSheetFile</span><span class="s">(</span><span class="i">$CSSFilePath</span><span class="s">)</span><span class="sc">;</span> 120 <span class="s">}</span> 121 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^old$/i</span><span class="s">)</span> <span class="s">{</span> 122 <span class="i">$CSSRef</span> = <span class="i">$Options</span>{<span class="w">stylesheetname</span>}<span class="sc">;</span> 123 <span class="s">}</span> 124 125 <span class="c"># Set HTML file location...</span> 126 <span class="i">$HTMLFile</span> = <span class="q">"$TopHTMLDir"</span> . <span class="q">"\/"</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 127 128 <span class="k">print</span> <span class="q">"Generating HTML file $HTMLFile...\n"</span><span class="sc">;</span> 129 <span class="k">open</span> <span class="w">HTMLFILE</span><span class="cm">,</span> <span class="q">">$HTMLFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $HTMLFile: $! \n"</span><span class="sc">;</span> 130 <span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $SDFile: $! \n"</span><span class="sc">;</span> 131 132 <span class="c"># Write out HTML page header...</span> 133 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageHeader</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerJSFileRef</span>}<span class="s">)</span><span class="sc">;</span> 134 135 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerJSFileRef</span>}<span class="s">)</span> <span class="s">{</span> 136 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupStrViewerJSInitCmd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>}<span class="s">)</span><span class="sc">;</span> 137 <span class="s">}</span> 138 139 <span class="c"># Setup page title...</span> 140 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TitleDisplay</span>}<span class="s">)</span> <span class="s">{</span> 141 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageTitle</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> 142 <span class="s">}</span> 143 <span class="k">else</span> <span class="s">{</span> 144 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLEmptyLines</span><span class="s">(</span><span class="n">1</span><span class="s">)</span><span class="sc">;</span> 145 <span class="s">}</span> 146 147 <span class="c"># Start the table...</span> 148 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 149 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TableBorder</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableCellPadding</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableCellSpacing</span>}<span class="s">)</span><span class="sc">;</span> 150 151 <span class="c"># Generate table rows...</span> 152 <span class="i">$StartCmpdNum</span> = <span class="n">1</span><span class="sc">;</span> 153 <span class="i">$EndCmpdNum</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 154 <span class="i">$TableNum</span> = <span class="n">1</span><span class="sc">;</span> 155 <span class="i">GenerateTableRows</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> \<span class="i">*SDFILE</span><span class="cm">,</span> \<span class="i">*HTMLFILE</span><span class="s">)</span><span class="sc">;</span> 156 157 <span class="c"># Finish up the table...</span> 158 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 159 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 160 161 <span class="c"># Write out HTML page end...</span> 162 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageEnd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FooterMsg</span>}<span class="s">)</span><span class="sc">;</span> 163 164 <span class="k">close</span> <span class="w">HTMLFILE</span><span class="sc">;</span> 165 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> 166 <span class="s">}</span> 167 168 <span class="c"># Generate multiple tables...</span> <a name="GenerateMultipleHTMLTables-"></a> 169 <span class="k">sub </span><span class="m">GenerateMultipleHTMLTables</span> <span class="s">{</span> 170 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 171 <span class="k">my</span><span class="s">(</span><span class="i">$TopHTMLDir</span><span class="cm">,</span> <span class="i">$SubHTMLDir</span><span class="cm">,</span> <span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$HTMLFile</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$TableCount</span><span class="cm">,</span> <span class="i">$TableIndex</span><span class="cm">,</span> <span class="i">$TableStartCmpdNum</span><span class="cm">,</span> <span class="i">$TableEndCmpdNum</span><span class="cm">,</span> <span class="i">$PrintMsg</span><span class="cm">,</span> <span class="i">$CSSFile</span><span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">$CSSFilePath</span><span class="cm">,</span> <span class="i">$NewStyleSheet</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="cm">,</span> <span class="i">$StrViewerJSFileRef</span><span class="s">)</span><span class="sc">;</span> 172 173 <span class="c"># Open SD file...</span> 174 <span class="i">$SDFile</span> = <span class="i">$SDFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> 175 <span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $SDFile: $! \n"</span><span class="sc">;</span> 176 177 <span class="c"># Set up data directories to hold various html files...</span> 178 <span class="s">(</span><span class="i">$TopHTMLDir</span><span class="cm">,</span> <span class="i">$SubHTMLDir</span><span class="s">)</span> = <span class="i">SetupDataDirs</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span><span class="sc">;</span> 179 180 <span class="c"># Create stylesheet file...</span> 181 <span class="i">$CSSRef</span> = <span class="q">""</span><span class="sc">;</span> 182 <span class="i">$NewStyleSheet</span> = <span class="n">0</span><span class="sc">;</span> 183 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^new$/i</span><span class="s">)</span> <span class="s">{</span> 184 <span class="i">$NewStyleSheet</span> = <span class="n">1</span><span class="sc">;</span> 185 <span class="i">$CSSFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">".css"</span><span class="sc">;</span> 186 <span class="i">$CSSFilePath</span> = <span class="q">"$TopHTMLDir"</span> . <span class="q">"\/"</span> . <span class="i">$CSSFile</span><span class="sc">;</span> 187 <span class="i">GenerateStyleSheetFile</span><span class="s">(</span><span class="i">$CSSFilePath</span><span class="s">)</span><span class="sc">;</span> 188 <span class="s">}</span> 189 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^old$/i</span><span class="s">)</span> <span class="s">{</span> 190 <span class="i">$CSSRef</span> = <span class="i">$Options</span>{<span class="w">stylesheetname</span>}<span class="sc">;</span> 191 <span class="s">}</span> 192 193 <span class="i">$PrintMsg</span> = <span class="n">1</span><span class="sc">;</span> 194 <span class="c"># Generate HTML files for all the tables...</span> 195 <span class="i">$TableCount</span> = <span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 196 <span class="k">for</span> <span class="i">$TableNum</span> <span class="s">(</span><span class="n">1</span> .. <span class="i">$TableCount</span><span class="s">)</span> <span class="s">{</span> 197 <span class="i">$TableIndex</span> = <span class="i">$TableNum</span> - <span class="n">1</span><span class="sc">;</span> 198 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 199 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 200 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 201 202 <span class="c"># Setup file name...</span> 203 <span class="k">if</span> <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 204 <span class="i">$HTMLFile</span> = <span class="q">"$TopHTMLDir"</span> . <span class="q">"\/"</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 205 <span class="k">print</span> <span class="q">"Generating HTML file $HTMLFile...\n"</span><span class="sc">;</span> 206 <span class="s">}</span> 207 <span class="k">else</span> <span class="s">{</span> 208 <span class="i">$HTMLFile</span> = <span class="q">"$SubHTMLDir"</span> . <span class="q">"\/"</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 209 <span class="k">if</span> <span class="s">(</span><span class="i">$PrintMsg</span><span class="s">)</span> <span class="s">{</span> 210 <span class="i">$PrintMsg</span> = <span class="n">0</span><span class="sc">;</span> 211 <span class="k">if</span> <span class="s">(</span><span class="i">$TableCount</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 212 <span class="k">print</span> <span class="q">"Generating HTML file $HTMLFile...\n"</span><span class="sc">;</span> 213 <span class="s">}</span> 214 <span class="k">else</span> <span class="s">{</span> 215 <span class="k">print</span> <span class="q">"Generating "</span><span class="cm">,</span> <span class="s">(</span><span class="i">$TableCount</span> - <span class="n">1</span><span class="s">)</span><span class="cm">,</span> <span class="q">" other HTML files: $SubHTMLDir\/$SDFilesInfo{HTMLRoot}[$Index]\*.html...\n"</span><span class="sc">;</span> 216 <span class="s">}</span> 217 <span class="s">}</span> 218 <span class="s">}</span> 219 <span class="c"># Setup stylesheet reference...</span> 220 <span class="k">if</span> <span class="s">(</span><span class="i">$NewStyleSheet</span><span class="s">)</span> <span class="s">{</span> 221 <span class="i">$CSSRef</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="q">".\/"</span> <span class="co">:</span> <span class="q">"..\/"</span><span class="sc">;</span> 222 <span class="i">$CSSRef</span> .= <span class="i">$CSSFile</span><span class="sc">;</span> 223 <span class="s">}</span> 224 225 <span class="k">open</span> <span class="w">HTMLFILE</span><span class="cm">,</span> <span class="q">">$HTMLFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $HTMLFile: $! \n"</span><span class="sc">;</span> 226 <span class="c"># Write out HTML page header...</span> 227 <span class="i">$StrViewerJSFileRef</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerJSFileRef</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerJSFileRef</span>}<span class="sc">;</span> 228 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageHeader</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>]<span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">$StrViewerJSFileRef</span><span class="s">)</span><span class="sc">;</span> 229 230 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerJSFileRef</span>}<span class="s">)</span> <span class="s">{</span> 231 <span class="i">$StrViewerCodeBase</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>}<span class="sc">;</span> 232 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupStrViewerJSInitCmd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="s">)</span><span class="sc">;</span> 233 <span class="s">}</span> 234 235 <span class="c"># Set up the navigation links for this table...</span> 236 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NavLinksAtTop</span>}<span class="s">)</span> <span class="s">{</span> 237 <span class="i">WriteNavigationLinks</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> \<span class="i">*HTMLFILE</span><span class="s">)</span><span class="sc">;</span> 238 <span class="s">}</span> 239 <span class="c"># Setup page title...</span> 240 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TitleDisplay</span>}<span class="s">)</span> <span class="s">{</span> 241 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageTitle</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>]<span class="s">)</span><span class="sc">;</span> 242 <span class="s">}</span> 243 <span class="k">else</span> <span class="s">{</span> 244 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLEmptyLines</span><span class="s">(</span><span class="n">1</span><span class="s">)</span><span class="sc">;</span> 245 <span class="s">}</span> 246 247 <span class="c"># Start the table...</span> 248 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 249 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TableBorder</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableCellPadding</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableCellSpacing</span>}<span class="s">)</span><span class="sc">;</span> 250 251 <span class="c"># Generate table content...</span> 252 <span class="i">GenerateTableRows</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$TableStartCmpdNum</span><span class="cm">,</span> <span class="i">$TableEndCmpdNum</span><span class="cm">,</span> \<span class="i">*SDFILE</span><span class="cm">,</span> \<span class="i">*HTMLFILE</span><span class="s">)</span><span class="sc">;</span> 253 254 <span class="c"># Finish up the table...</span> 255 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 256 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 257 258 <span class="c"># Set up the navigation links for this table...</span> 259 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NavLinksAtBottom</span>}<span class="s">)</span> <span class="s">{</span> 260 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLEmptyLines</span><span class="s">(</span><span class="n">1</span><span class="s">)</span><span class="sc">;</span> 261 <span class="i">WriteNavigationLinks</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> \<span class="i">*HTMLFILE</span><span class="s">)</span><span class="sc">;</span> 262 <span class="s">}</span> 263 264 <span class="c"># Write out HTML page end...</span> 265 <span class="k">print</span> <span class="i">HTMLFILE</span> <span class="i">SetupHTMLPageEnd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FooterMsg</span>}<span class="s">)</span><span class="sc">;</span> 266 <span class="k">close</span> <span class="w">HTMLFILE</span><span class="sc">;</span> 267 <span class="s">}</span> 268 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> 269 270 <span class="s">}</span> 271 272 <span class="c"># Generate table content...</span> <a name="GenerateTableRows-"></a> 273 <span class="k">sub </span><span class="m">GenerateTableRows</span> <span class="s">{</span> 274 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 275 276 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StructuresOnlyMode</span>}<span class="s">)</span> <span class="s">{</span> 277 <span class="i">WriteRowStructures</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 278 <span class="s">}</span> 279 <span class="k">else</span> <span class="s">{</span> 280 <span class="i">WriteColLabels</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 281 <span class="i">WriteRowValues</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 282 <span class="s">}</span> 283 <span class="s">}</span> 284 285 <span class="c"># Create stylesheet file...</span> <a name="GenerateStyleSheetFile-"></a> 286 <span class="k">sub </span><span class="m">GenerateStyleSheetFile</span> <span class="s">{</span> 287 <span class="k">my</span><span class="s">(</span><span class="i">$CSSFile</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 288 <span class="k">print</span> <span class="q">"Generating stylesheet file $CSSFile...\n"</span><span class="sc">;</span> 289 <span class="k">open</span> <span class="w">CSSFILE</span><span class="cm">,</span> <span class="q">">$CSSFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $CSSFile: $! \n"</span><span class="sc">;</span> 290 <span class="k">print</span> <span class="i">CSSFILE</span> <span class="i">SetupHTMLStyleSheetTags</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 291 <span class="k">close</span> <span class="w">CSSFILE</span><span class="sc">;</span> 292 <span class="s">}</span> 293 294 <span class="c"># Write out table header using column labels...</span> <a name="WriteColLabels-"></a> 295 <span class="k">sub </span><span class="m">WriteColLabels</span> <span class="s">{</span> 296 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 297 298 <span class="k">my</span><span class="s">(</span><span class="i">@ColLabels</span><span class="cm">,</span> <span class="i">$Label</span><span class="s">)</span><span class="sc">;</span> 299 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">TableRowHeaderTags</span>}<span class="sc">;</span> 300 301 <span class="c"># Write out structure label...</span> 302 <span class="i">$Label</span> = <span class="q">"Structure"</span><span class="sc">;</span> 303 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowHeaderValue</span><span class="s">(</span><span class="i">$Label</span><span class="s">)</span><span class="sc">;</span> 304 305 <span class="c"># Write out field values..</span> 306 <span class="i">@ColLabels</span> = <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="sc">;</span> 307 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@ColLabels</span><span class="s">)</span> <span class="s">{</span> 308 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowHeaderValue</span><span class="s">(</span><span class="i">$Label</span><span class="s">)</span><span class="sc">;</span> 309 <span class="s">}</span> 310 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 311 <span class="s">}</span> 312 313 <span class="c"># Write out the rows value...</span> <a name="WriteRowValues-"></a> 314 <span class="k">sub </span><span class="m">WriteRowValues</span> <span class="s">{</span> 315 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 316 <span class="k">my</span><span class="s">(</span><span class="i">$BackgroundColor</span><span class="cm">,</span> <span class="i">$FontColor</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">%DataFieldValues</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 317 318 <span class="i">$RowNum</span> = <span class="n">0</span><span class="sc">;</span> 319 <span class="k">for</span> <span class="i">$CmpdNum</span> <span class="s">(</span><span class="i">$StartCmpdNum</span> .. <span class="i">$EndCmpdNum</span><span class="s">)</span> <span class="s">{</span> 320 <span class="i">$RowNum</span>++<span class="sc">;</span> 321 <span class="i">$CmpdString</span> = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFileRef</span><span class="s">)</span><span class="sc">;</span> 322 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>}<span class="s">)</span> <span class="s">{</span> 323 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="s">(</span><span class="i">$RowNum</span> % <span class="n">2</span><span class="s">)</span> ? <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledOddRowHeaderTags</span>} <span class="co">:</span> <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledEvenRowHeaderTags</span>}<span class="sc">;</span> 324 <span class="s">}</span> 325 <span class="k">else</span> <span class="s">{</span> 326 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>}<span class="sc">;</span> 327 <span class="s">}</span> 328 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 329 <span class="i">%DataFieldValues</span> = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 330 331 <span class="c"># Setup structure column...</span> 332 <span class="i">SetupStructureColumn</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 333 <span class="c"># Write out field values..</span> 334 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="s">)</span> <span class="s">{</span> 335 <span class="i">$Value</span> = <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$DataFieldValues</span>{<span class="i">$Label</span>}<span class="s">)</span><span class="s">)</span> ? <span class="i">$DataFieldValues</span>{<span class="i">$Label</span>} <span class="co">:</span> <span class="q">""</span><span class="sc">;</span> 336 <span class="i">$BackgroundColor</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FontColor</span> = <span class="q">""</span><span class="sc">;</span> 337 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">HighlightStatus</span>}<span class="s">)</span> <span class="s">{</span> 338 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabelsMap</span>}{<span class="i">$Label</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 339 <span class="s">(</span><span class="i">$BackgroundColor</span><span class="cm">,</span> <span class="i">$FontColor</span><span class="s">)</span> = <span class="i">GetValueHighlightColors</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 340 <span class="s">}</span> 341 <span class="s">}</span> 342 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$BackgroundColor</span><span class="cm">,</span> <span class="i">$FontColor</span><span class="s">)</span><span class="sc">;</span> 343 <span class="s">}</span> 344 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 345 <span class="s">}</span> 346 <span class="s">}</span> 347 348 <span class="c"># Write only structures...</span> <a name="WriteRowStructures-"></a> 349 <span class="k">sub </span><span class="m">WriteRowStructures</span> <span class="s">{</span> 350 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartCmpdNum</span><span class="cm">,</span> <span class="i">$EndCmpdNum</span><span class="cm">,</span> <span class="i">$SDFileRef</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 351 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$StartRowFlag</span><span class="cm">,</span> <span class="i">$ColNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$RowBgColor</span><span class="cm">,</span> <span class="i">$RowStartTags</span><span class="cm">,</span> <span class="i">$ColumnHeaderTags</span><span class="cm">,</span> <span class="i">$ColumnEndTags</span><span class="cm">,</span> <span class="i">$CmpdDataFieldValue</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 352 353 <span class="i">$StartRowFlag</span> = <span class="n">1</span><span class="sc">;</span> <span class="i">$ColNum</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$RowNum</span> = <span class="n">0</span><span class="sc">;</span> 354 <span class="i">$ColumnHeaderTags</span> = <span class="i">SetupHTMLTableColumnHeader</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 355 <span class="i">$ColumnEndTags</span> = <span class="i">SetupHTMLTableColumnEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 356 357 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StructuresOnlyMode</span>} && !<span class="i">$OptionsInfo</span>{<span class="w">TableBorder</span>} && <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>} =~ <span class="q">/^(#ffffff|white)$/i</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 358 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowColor</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>}<span class="s">)</span><span class="sc">;</span> 359 <span class="i">$Value</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">""</span><span class="s">)</span><span class="sc">;</span> 360 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="q">"colspan"</span><span class="cm">,</span> <span class="q">"$OptionsInfo{StrTableCols}"</span><span class="s">)</span><span class="sc">;</span> 361 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 362 <span class="s">}</span> 363 364 <span class="k">for</span> <span class="i">$CmpdNum</span> <span class="s">(</span><span class="i">$StartCmpdNum</span> .. <span class="i">$EndCmpdNum</span><span class="s">)</span> <span class="s">{</span> 365 <span class="i">$CmpdString</span> = <span class="i">ReadCmpdString</span><span class="s">(</span><span class="i">$SDFileRef</span><span class="s">)</span><span class="sc">;</span> 366 <span class="k">if</span> <span class="s">(</span><span class="i">$StartRowFlag</span><span class="s">)</span> <span class="s">{</span> 367 <span class="i">$StartRowFlag</span> = <span class="n">0</span><span class="sc">;</span> 368 <span class="i">$RowNum</span>++<span class="sc">;</span> 369 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>}<span class="s">)</span> <span class="s">{</span> 370 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="s">(</span><span class="i">$RowNum</span> % <span class="n">2</span><span class="s">)</span> ? <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledOddRowHeaderTags</span>} <span class="co">:</span> <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledEvenRowHeaderTags</span>}<span class="sc">;</span> 371 <span class="s">}</span> 372 <span class="k">else</span> <span class="s">{</span> 373 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>}<span class="sc">;</span> 374 <span class="s">}</span> 375 <span class="s">}</span> 376 <span class="i">$ColNum</span>++<span class="sc">;</span> 377 378 <span class="i">$CmpdDataFieldValue</span> = <span class="q">""</span><span class="sc">;</span> 379 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>}<span class="s">)</span> <span class="s">{</span> 380 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdDataField</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">%DataFieldValues</span><span class="s">)</span><span class="sc">;</span> 381 <span class="i">$CmpdDataField</span> = <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>}<span class="sc">;</span> 382 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 383 <span class="i">%DataFieldValues</span> = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 384 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$DataFieldValues</span>{<span class="i">$CmpdDataField</span>}<span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$DataFieldValues</span>{<span class="i">$CmpdDataField</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 385 <span class="i">$CmpdDataFieldValue</span> = <span class="i">$DataFieldValues</span>{<span class="i">$CmpdDataField</span>}<span class="sc">;</span> 386 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> <span class="s">{</span> 387 <span class="i">$CmpdDataFieldValue</span> = <span class="q">"${CmpdDataField}: ${CmpdDataFieldValue}"</span><span class="sc">;</span> 388 <span class="s">}</span> 389 <span class="c"># Make sure it's not to looong...</span> 390 <span class="k">if</span> <span class="s">(</span><span class="k">length</span><span class="s">(</span><span class="i">$CmpdDataFieldValue</span><span class="s">)</span> > <span class="n">30</span><span class="s">)</span> <span class="s">{</span> 391 <span class="i">$CmpdDataFieldValue</span> = <span class="k">substr</span><span class="s">(</span><span class="i">$CmpdDataFieldValue</span><span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="n">30</span><span class="s">)</span> . <span class="q">"..."</span><span class="sc">;</span> 392 <span class="s">}</span> 393 <span class="s">}</span> 394 <span class="s">}</span> 395 <span class="k">if</span> <span class="s">(</span><span class="i">$CmpdDataFieldValue</span><span class="s">)</span> <span class="s">{</span> 396 <span class="i">$RowBgColor</span> = <span class="q">""</span><span class="sc">;</span> 397 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>}<span class="s">)</span> <span class="s">{</span> 398 <span class="i">$RowBgColor</span> = <span class="s">(</span><span class="i">$RowNum</span> % <span class="n">2</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">EvenRowsShadeColor</span>}<span class="sc">;</span> 399 <span class="s">}</span> 400 <span class="i">$RowStartTags</span> = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldAlignment</span>}<span class="cm">,</span> <span class="i">$RowBgColor</span><span class="cm">,</span> <span class="q">"middle"</span><span class="s">)</span><span class="sc">;</span> 401 <span class="c"># Start a new table in current column...</span> 402 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ColumnHeaderTags</span><span class="sc">;</span> 403 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 404 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="n">0</span><span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="sc">;</span> 405 406 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} =~ <span class="q">/^top$/i</span> <span class="s">)</span> <span class="s">{</span> 407 <span class="c"># Add an empty row...</span> 408 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$RowStartTags</span><span class="sc">;</span> 409 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">""</span><span class="s">)</span><span class="sc">;</span> 410 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 411 412 <span class="c"># Display the label value...</span> 413 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$RowStartTags</span><span class="sc">;</span> 414 <span class="i">$CmpdHTMLFileRef</span> = <span class="i">SetupCompoundSummaryFileAndLink</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span><span class="sc">;</span> 415 <span class="i">$Value</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"$CmpdDataFieldValue"</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="cm">,</span> <span class="q">"Compound Summary"</span><span class="s">)</span><span class="sc">;</span> 416 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 417 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 418 <span class="s">}</span> 419 <span class="c"># Display the structure...</span> 420 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="q">"center"</span><span class="cm">,</span> <span class="i">$RowBgColor</span><span class="cm">,</span> <span class="q">"middle"</span><span class="s">)</span><span class="sc">;</span> 421 <span class="i">SetupStructureDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 422 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 423 424 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} =~ <span class="q">/^bottom$/i</span> <span class="s">)</span> <span class="s">{</span> 425 <span class="c"># Display the label value...</span> 426 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$RowStartTags</span><span class="sc">;</span> 427 <span class="i">$CmpdHTMLFileRef</span> = <span class="i">SetupCompoundSummaryFileAndLink</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span><span class="sc">;</span> 428 <span class="i">$Value</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"$CmpdDataFieldValue"</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="cm">,</span> <span class="q">"Compound Summary"</span><span class="s">)</span><span class="sc">;</span> 429 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 430 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 431 432 <span class="c"># Add an empty row...</span> 433 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$RowStartTags</span><span class="sc">;</span> 434 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">""</span><span class="s">)</span><span class="sc">;</span> 435 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 436 <span class="s">}</span> 437 438 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 439 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 440 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ColumnEndTags</span><span class="sc">;</span> 441 <span class="s">}</span> 442 <span class="k">else</span> <span class="s">{</span> 443 <span class="i">SetupStructureDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 444 <span class="s">}</span> 445 446 <span class="k">if</span> <span class="s">(</span><span class="i">$ColNum</span> == <span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>}<span class="s">)</span> <span class="s">{</span> 447 <span class="c"># Finish up the current row and get ready for starting a new row...</span> 448 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 449 <span class="i">$ColNum</span> = <span class="n">0</span><span class="sc">;</span> 450 <span class="i">$StartRowFlag</span> = <span class="n">1</span><span class="sc">;</span> 451 <span class="s">}</span> 452 <span class="s">}</span> 453 <span class="k">if</span> <span class="s">(</span>!<span class="i">$StartRowFlag</span><span class="s">)</span> <span class="s">{</span> 454 <span class="c"># Finish up an existing row...</span> 455 <span class="k">my</span><span class="s">(</span><span class="i">$ColIndex</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 456 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 457 <span class="k">for</span> <span class="i">$ColIndex</span> <span class="s">(</span><span class="i">$ColNum</span> .. <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>} - <span class="n">1</span><span class="s">)</span> <span class="s">)</span> <span class="s">{</span> 458 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 459 <span class="s">}</span> 460 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 461 <span class="s">}</span> 462 <span class="s">}</span> 463 464 <span class="c"># Setup structure column...</span> <a name="SetupStructureColumn-"></a> 465 <span class="k">sub </span><span class="m">SetupStructureColumn</span> <span class="s">{</span> 466 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 467 468 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">DisplayStructure</span>}<span class="s">)</span> <span class="s">{</span> 469 <span class="i">SetupStructureDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 470 <span class="s">}</span> 471 <span class="k">else</span> <span class="s">{</span> 472 <span class="i">SetupStructureLink</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 473 <span class="s">}</span> 474 <span class="s">}</span> 475 476 <span class="c"># Setup structure display for compound summary page...</span> <a name="SetupStructureDisplayForCmpdSummaryPage-"></a> 477 <span class="k">sub </span><span class="m">SetupStructureDisplayForCmpdSummaryPage</span> <span class="s">{</span> 478 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 479 <span class="k">my</span><span class="s">(</span><span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 480 481 <span class="c"># Use table num 0 to force usage of "../mol" prefix for all MOL file references. Row num</span> 482 <span class="c"># doesn't matter...</span> 483 <span class="i">$TableNum</span> = <span class="n">0</span><span class="sc">;</span> 484 <span class="i">$RowNum</span> = <span class="n">1</span><span class="sc">;</span> 485 486 <span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>} = <span class="n">1</span><span class="sc">;</span> 487 488 <span class="c"># Setup size and bgcolor parameters for linking structures...</span> 489 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">width</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrLinkWidth</span>}<span class="sc">;</span> 490 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">height</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrLinkHeight</span>}<span class="sc">;</span> 491 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrLinkBgColorSpecified</span>}<span class="sc">;</span> 492 493 <span class="i">SetupStructureDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 494 495 <span class="c"># Reset size and bgcolor parameters back to displaying structures in tables...</span> 496 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">width</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrWidth</span>}<span class="sc">;</span> 497 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">height</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrHeight</span>}<span class="sc">;</span> 498 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>} ? <span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>} <span class="co">:</span> <span class="q">""</span><span class="sc">;</span> 499 500 <span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>} = <span class="n">0</span><span class="sc">;</span> 501 <span class="s">}</span> 502 503 504 <span class="c"># Setup structure column display...</span> <a name="SetupStructureDisplay-"></a> 505 <span class="k">sub </span><span class="m">SetupStructureDisplay</span> <span class="s">{</span> 506 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 507 <span class="k">my</span><span class="s">(</span><span class="i">$Nothing</span><span class="s">)</span><span class="sc">;</span> 508 509 <span class="j">STRVIEWERTYPE:</span> <span class="s">{</span> 510 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^JME$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupJMEDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 511 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^Jmol$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupJmolDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 512 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^Chime$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupChimeDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 513 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(Chem3DActiveX|ChemDrawActiveX|ChemDrawPlugIn)$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupCambridgeSoftDisplay</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 514 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^MarvinView$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupMarvinDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 515 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^ViewerActiveX$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">SetupViewerAccelrysActiveXDisplay</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 516 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> 517 <span class="s">}</span> 518 <span class="s">}</span> 519 520 <span class="c"># Setup JME display...</span> <a name="SetupJMEDisplay-"></a> 521 <span class="k">sub </span><span class="m">SetupJMEDisplay</span> <span class="s">{</span> 522 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 523 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$AppletBGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$AppletName</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="s">)</span><span class="sc">;</span> 524 525 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 526 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 527 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 528 <span class="i">$AppletBGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 529 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 530 531 <span class="c"># JME viewer doesn't appear to support "bgcolor" param. So, always use white background for</span> 532 <span class="c"># structure cell...</span> 533 <span class="i">$AppletName</span> = <span class="q">"JME"</span> . <span class="i">$CmpdNum</span><span class="sc">;</span> 534 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$AppletName</span><span class="sc">;</span> 535 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 536 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 537 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$AppletBGColor</span><span class="sc">;</span> 538 <span class="s">}</span> 539 <span class="s">}</span> 540 <span class="i">$StrViewerCodeBase</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>}<span class="sc">;</span> 541 <span class="i">$Value</span> = <span class="i">SetupStrViewerJMEApplet</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 542 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$SDFilesInfo</span>{<span class="w">White</span>}<span class="s">)</span><span class="sc">;</span> 543 <span class="s">}</span> 544 <span class="k">else</span> <span class="s">{</span> 545 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 546 <span class="s">}</span> 547 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 548 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 549 <span class="s">}</span> 550 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 551 <span class="s">}</span> 552 553 <span class="c"># Setup Marvin display...</span> <a name="SetupMarvinDisplay-"></a> 554 <span class="k">sub </span><span class="m">SetupMarvinDisplay</span> <span class="s">{</span> 555 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 556 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$AppletBGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$AppletName</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="s">)</span><span class="sc">;</span> 557 558 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 559 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 560 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 561 <span class="i">$AppletBGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 562 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 563 564 <span class="i">$AppletName</span> = <span class="q">"MView"</span> . <span class="i">$CmpdNum</span><span class="sc">;</span> 565 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$AppletName</span><span class="sc">;</span> 566 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 567 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 568 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$AppletBGColor</span><span class="sc">;</span> 569 <span class="s">}</span> 570 <span class="s">}</span> 571 <span class="i">$StrViewerCodeBase</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>}<span class="sc">;</span> 572 <span class="i">$Value</span> = <span class="i">SetupStrViewerMarvinViewApplet</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 573 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 574 <span class="s">}</span> 575 <span class="k">else</span> <span class="s">{</span> 576 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 577 <span class="s">}</span> 578 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 579 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 580 <span class="s">}</span> 581 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 582 <span class="s">}</span> 583 584 <span class="c"># Setup Jmol display...</span> <a name="SetupJmolDisplay-"></a> 585 <span class="k">sub </span><span class="m">SetupJmolDisplay</span> <span class="s">{</span> 586 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 587 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$AppletBGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$AppletName</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="s">)</span><span class="sc">;</span> 588 589 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$ValueTag</span> = <span class="q">""</span><span class="sc">;</span> 590 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 591 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 592 <span class="i">$AppletBGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 593 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 594 595 <span class="c"># Make sure MolName line is not empty; otherwise, JMol doesn't display structure...</span> 596 <span class="k">my</span><span class="s">(</span><span class="i">@MolLines</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$MolString</span><span class="sc">;</span> 597 <span class="k">if</span> <span class="s">(</span><span class="i">IsEmpty</span><span class="s">(</span><span class="i">$MolLines</span>[<span class="n">0</span>]<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 598 <span class="i">$MolLines</span>[<span class="n">0</span>] = <span class="q">"Cmpd${CmpdNum}"</span><span class="sc">;</span> 599 <span class="i">$MolString</span> = <span class="k">join</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">@MolLines</span><span class="sc">;</span> 600 <span class="s">}</span> 601 602 <span class="c"># Setup the applet...</span> 603 <span class="i">$AppletName</span> = <span class="q">"Jmol"</span> . <span class="i">$CmpdNum</span><span class="sc">;</span> 604 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$AppletName</span><span class="sc">;</span> 605 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 606 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 607 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$AppletBGColor</span><span class="sc">;</span> 608 <span class="s">}</span> 609 <span class="s">}</span> 610 <span class="i">$StrViewerCodeBase</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>}<span class="sc">;</span> 611 <span class="i">$Value</span> = <span class="i">SetupStrViewerJmolApplet</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$StrViewerCodeBase</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 612 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 613 <span class="s">}</span> 614 <span class="k">else</span> <span class="s">{</span> 615 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 616 <span class="s">}</span> 617 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 618 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 619 <span class="s">}</span> 620 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 621 <span class="s">}</span> 622 623 <span class="c"># Setup Chime display...</span> <a name="SetupChimeDisplay-"></a> 624 <span class="k">sub </span><span class="m">SetupChimeDisplay</span> <span class="s">{</span> 625 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 626 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$MolFileRef</span><span class="s">)</span><span class="sc">;</span> 627 628 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 629 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 630 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 631 <span class="i">$BGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 632 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 633 <span class="c"># Write out MOL file...</span> 634 <span class="i">$MolFileRef</span> = <span class="i">SetupMOLFile</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span><span class="sc">;</span> 635 <span class="c"># Setup the applet...</span> 636 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 637 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 638 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$BGColor</span><span class="sc">;</span> 639 <span class="s">}</span> 640 <span class="s">}</span> 641 <span class="i">$Value</span> = <span class="i">SetupStrViewerChimePlugIn</span><span class="s">(</span><span class="i">$MolFileRef</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 642 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 643 <span class="s">}</span> 644 <span class="k">else</span> <span class="s">{</span> 645 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 646 <span class="s">}</span> 647 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 648 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 649 <span class="s">}</span> 650 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 651 <span class="s">}</span> 652 653 <span class="c"># Setup displays for various viewers available from CambridgeSoft...</span> <a name="SetupCambridgeSoftDisplay-"></a> 654 <span class="k">sub </span><span class="m">SetupCambridgeSoftDisplay</span> <span class="s">{</span> 655 <span class="k">my</span><span class="s">(</span><span class="i">$ViewerType</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 656 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$MolFileRef</span><span class="cm">,</span> <span class="i">$Name</span><span class="s">)</span><span class="sc">;</span> 657 658 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 659 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 660 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 661 <span class="i">$BGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 662 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 663 <span class="c"># Write out MOL file...</span> 664 <span class="i">$MolFileRef</span> = <span class="i">SetupMOLFile</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span><span class="sc">;</span> 665 <span class="c"># Setup the viewer...</span> 666 <span class="i">$Name</span> = <span class="q">"CS"</span> . <span class="i">$CmpdNum</span><span class="sc">;</span> 667 <span class="k">if</span> <span class="s">(</span><span class="i">$ViewerType</span> =~ <span class="q">/^Chem3DActiveX$/</span><span class="s">)</span> <span class="s">{</span> 668 <span class="c"># Use white background for Chem3D and cell; otherwise, it doesn't look good:</span> 669 <span class="c"># cell size is larger than Chem3D window size and different colors don't work</span> 670 <span class="i">$BGColor</span> = <span class="i">$SDFilesInfo</span>{<span class="w">White</span>}<span class="sc">;</span> 671 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$Name</span><span class="sc">;</span> 672 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 673 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 674 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$BGColor</span><span class="sc">;</span> 675 <span class="s">}</span> 676 <span class="s">}</span> 677 <span class="i">$Value</span> = <span class="i">SetupStrViewerChem3DActiveX</span><span class="s">(</span><span class="i">$MolFileRef</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 678 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="s">)</span><span class="sc">;</span> 679 <span class="s">}</span> 680 <span class="k">elsif</span> <span class="s">(</span><span class="i">$ViewerType</span> =~ <span class="q">/^ChemDrawActiveX$/i</span><span class="s">)</span> <span class="s">{</span> 681 <span class="c"># BGColor is not supported. So, make it all white...</span> 682 <span class="i">$BGColor</span> = <span class="i">$SDFilesInfo</span>{<span class="w">White</span>}<span class="sc">;</span> 683 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$Name</span><span class="sc">;</span> 684 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 685 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 686 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$BGColor</span><span class="sc">;</span> 687 <span class="s">}</span> 688 <span class="s">}</span> 689 <span class="i">$Value</span> = <span class="i">SetupStrViewerChemDrawActiveX</span><span class="s">(</span><span class="i">$MolFileRef</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 690 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="s">)</span><span class="sc">;</span> 691 <span class="s">}</span> 692 <span class="k">elsif</span> <span class="s">(</span><span class="i">$ViewerType</span> =~ <span class="q">/^ChemDrawPlugIn$/i</span><span class="s">)</span> <span class="s">{</span> 693 <span class="c"># BGColor is not supported. So, make it all white...</span> 694 <span class="i">$BGColor</span> = <span class="i">$SDFilesInfo</span>{<span class="w">White</span>}<span class="sc">;</span> 695 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 696 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 697 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$BGColor</span><span class="sc">;</span> 698 <span class="s">}</span> 699 <span class="s">}</span> 700 <span class="i">$Value</span> = <span class="i">SetupStrViewerChemDrawPlugIn</span><span class="s">(</span><span class="i">$MolFileRef</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 701 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="s">)</span><span class="sc">;</span> 702 <span class="s">}</span> 703 <span class="s">}</span> 704 <span class="k">else</span> <span class="s">{</span> 705 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 706 <span class="s">}</span> 707 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 708 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 709 <span class="s">}</span> 710 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 711 <span class="s">}</span> 712 713 <span class="c"># Setup Accelrys Viewer ActiveX display...</span> <a name="SetupViewerAccelrysActiveXDisplay-"></a> 714 <span class="k">sub </span><span class="m">SetupViewerAccelrysActiveXDisplay</span> <span class="s">{</span> 715 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 716 <span class="k">my</span><span class="s">(</span><span class="i">$MolString</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueTag</span><span class="cm">,</span> <span class="i">$Name</span><span class="cm">,</span> <span class="i">$MolFileRef</span><span class="s">)</span><span class="sc">;</span> 717 718 <span class="i">$Value</span> = <span class="q">""</span><span class="sc">;</span> 719 <span class="s">(</span><span class="i">$MolString</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 720 <span class="k">if</span> <span class="s">(</span><span class="i">IsNotEmpty</span><span class="s">(</span><span class="i">$MolString</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 721 <span class="i">$BGColor</span> = <span class="i">SetupStructureBGColor</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span><span class="sc">;</span> 722 <span class="i">$MolString</span> .= <span class="q">"$SDFilesInfo{MolEndTag}"</span><span class="sc">;</span> 723 <span class="c"># Write out MOL file. Accelrys ActiveX viewer doesn't load mol files with relative path names.</span> 724 <span class="c"># So, set up a complete path name for now; however, it may lead to issues during web</span> 725 <span class="c"># deployment.</span> 726 <span class="k">my</span><span class="s">(</span><span class="i">$CompletePath</span><span class="s">)</span> = <span class="n">1</span><span class="sc">;</span> 727 <span class="i">$MolFileRef</span> = <span class="i">SetupMOLFile</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CompletePath</span><span class="s">)</span><span class="sc">;</span> 728 <span class="c"># Setup the viewer...</span> 729 <span class="i">$Name</span> = <span class="q">"ViewerActiveX"</span> . <span class="i">$CmpdNum</span><span class="sc">;</span> 730 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 731 <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>}<span class="s">)</span> <span class="s">{</span> 732 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>} = <span class="i">$BGColor</span><span class="sc">;</span> 733 <span class="s">}</span> 734 <span class="s">}</span> 735 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$Name</span><span class="sc">;</span> 736 <span class="i">$Value</span> = <span class="i">SetupStrViewerAccelrysActiveX</span><span class="s">(</span><span class="i">$MolFileRef</span><span class="cm">,</span> \<span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}}<span class="s">)</span><span class="sc">;</span> 737 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 738 <span class="s">}</span> 739 <span class="k">else</span> <span class="s">{</span> 740 <span class="i">$ValueTag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 741 <span class="s">}</span> 742 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>}<span class="s">)</span> <span class="s">{</span> 743 <span class="i">$ValueTag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$ValueTag</span><span class="cm">,</span> <span class="s">(</span><span class="q">"class"</span><span class="cm">,</span> <span class="q">"box"</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 744 <span class="s">}</span> 745 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$ValueTag</span><span class="sc">;</span> 746 <span class="s">}</span> 747 748 749 <span class="c"># Setup structure background color...</span> <a name="SetupStructureBGColor-"></a> 750 <span class="k">sub </span><span class="m">SetupStructureBGColor</span> <span class="s">{</span> 751 <span class="k">my</span><span class="s">(</span><span class="i">$RowNum</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 752 <span class="k">my</span><span class="s">(</span><span class="i">$BGColor</span><span class="s">)</span><span class="sc">;</span> 753 754 <span class="i">$BGColor</span> = <span class="q">""</span><span class="sc">;</span> 755 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>}<span class="s">)</span> <span class="s">{</span> 756 <span class="i">$BGColor</span> = <span class="s">(</span><span class="i">$RowNum</span> % <span class="n">2</span><span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">EvenRowsShadeColor</span>}<span class="sc">;</span> 757 <span class="s">}</span> 758 <span class="k">else</span> <span class="s">{</span> 759 <span class="i">$BGColor</span> = <span class="i">$SDFilesInfo</span>{<span class="w">White</span>}<span class="sc">;</span> 760 <span class="s">}</span> 761 <span class="k">return</span> <span class="i">$BGColor</span><span class="sc">;</span> 762 <span class="s">}</span> 763 764 <span class="c"># Setup MDL MOL file...</span> <a name="SetupMOLFile-"></a> 765 <span class="k">sub </span><span class="m">SetupMOLFile</span> <span class="s">{</span> 766 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CompletePath</span><span class="s">)</span><span class="sc">;</span> 767 <span class="k">my</span><span class="s">(</span><span class="i">$SubMolDir</span><span class="cm">,</span> <span class="i">$MolFileName</span><span class="cm">,</span> <span class="i">$MolFile</span><span class="cm">,</span> <span class="i">$MolFileRef</span><span class="s">)</span><span class="sc">;</span> 768 769 <span class="i">$CompletePath</span> = <span class="q">""</span><span class="sc">;</span> 770 <span class="k">if</span> <span class="s">(</span><span class="i">@_</span> == <span class="n">5</span><span class="s">)</span> <span class="s">{</span> 771 <span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$CompletePath</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 772 <span class="s">}</span> 773 <span class="k">else</span> <span class="s">{</span> 774 <span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$MolString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 775 <span class="s">}</span> 776 777 <span class="i">$SubMolDir</span> = <span class="i">$SDFilesInfo</span>{<span class="w">SubMolDir</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 778 <span class="i">$MolFileName</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$CmpdNum</span> . <span class="q">".mol"</span><span class="sc">;</span> 779 <span class="i">$MolFile</span> = <span class="i">$SubMolDir</span> . <span class="q">"\/"</span> . <span class="i">$MolFileName</span><span class="sc">;</span> 780 781 <span class="k">open</span> <span class="w">MOLFILE</span><span class="cm">,</span> <span class="q">">$MolFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $MolFile: $! \n"</span><span class="sc">;</span> 782 <span class="k">print</span> <span class="i">MOLFILE</span> <span class="q">"$MolString\n"</span><span class="sc">;</span> 783 <span class="k">close</span> <span class="w">MOLFILE</span><span class="sc">;</span> 784 785 <span class="k">if</span> <span class="s">(</span><span class="i">$CompletePath</span><span class="s">)</span> <span class="s">{</span> 786 <span class="k">my</span><span class="s">(</span><span class="i">$CWD</span><span class="cm">,</span> <span class="i">$NewCWD</span><span class="s">)</span><span class="sc">;</span> 787 <span class="i">$CWD</span> = <span class="i">cwd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 788 <span class="i">$NewCWD</span> = <span class="i">ConvertCygwinPath</span><span class="s">(</span><span class="i">$CWD</span><span class="s">)</span><span class="sc">;</span> 789 <span class="i">$MolFileRef</span> = <span class="i">$NewCWD</span> . <span class="q">"\/"</span> . <span class="i">$SDFilesInfo</span>{<span class="w">TopHTMLDir</span>}[<span class="i">$Index</span>] . <span class="q">"\/mol\/$MolFileName"</span> <span class="sc">;</span> 790 <span class="s">}</span> 791 <span class="k">else</span> <span class="s">{</span> 792 <span class="i">$MolFileRef</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="q">".\/mol\/$MolFileName"</span> <span class="co">:</span> <span class="q">"..\/mol\/$MolFileName"</span><span class="sc">;</span> 793 <span class="s">}</span> 794 795 <span class="k">return</span> <span class="i">$MolFileRef</span><span class="sc">;</span> 796 <span class="s">}</span> 797 798 <span class="c"># Setup a link to structure and other available information...</span> <a name="SetupStructureLink-"></a> 799 <span class="k">sub </span><span class="m">SetupStructureLink</span> <span class="s">{</span> 800 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$RowNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 801 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdHTMLFileRef</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 802 803 <span class="i">$CmpdHTMLFileRef</span> = <span class="i">SetupCompoundSummaryFileAndLink</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span><span class="sc">;</span> 804 805 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktype</span>} =~ <span class="q">/^button$/i</span><span class="s">)</span> <span class="s">{</span> 806 <span class="i">$Value</span> = <span class="i">SetupHTMLButtonRef</span><span class="s">(</span><span class="q">"View"</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 807 <span class="s">}</span> 808 <span class="k">else</span> <span class="s">{</span> 809 <span class="i">$Value</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"View"</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="s">)</span><span class="sc">;</span> 810 <span class="s">}</span> 811 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 812 <span class="s">}</span> 813 814 <span class="c"># Setup HTML compound summary file and link...</span> <a name="SetupCompoundSummaryFileAndLink-"></a> 815 <span class="k">sub </span><span class="m">SetupCompoundSummaryFileAndLink</span> <span class="s">{</span> 816 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 817 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdHTMLFile</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileName</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">%DataFieldValues</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$Tag</span><span class="s">)</span><span class="sc">;</span> 818 819 <span class="c"># Setup compound file names...</span> 820 <span class="i">$CmpdHTMLFileName</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$CmpdNum</span> . <span class="q">".html"</span><span class="sc">;</span> 821 <span class="i">$CmpdHTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">SubHTMLDir</span>}[<span class="i">$Index</span>] . <span class="q">"\/"</span> . <span class="i">$CmpdHTMLFileName</span><span class="sc">;</span> 822 823 <span class="c"># Setup stylesheet reference....</span> 824 <span class="i">$CSSRef</span> = <span class="q">""</span><span class="sc">;</span> 825 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^old$/i</span><span class="s">)</span> <span class="s">{</span> 826 <span class="i">$CSSRef</span> = <span class="i">$Options</span>{<span class="w">stylesheetname</span>}<span class="sc">;</span> 827 <span class="s">}</span> 828 <span class="k">else</span> <span class="s">{</span> 829 <span class="i">$CSSRef</span> = <span class="q">"..\/"</span> . <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">".css"</span><span class="sc">;</span> 830 <span class="s">}</span> 831 832 <span class="c"># Write out compound data in a new HTML file. For summary page, usage of even and odd row shade color</span> 833 <span class="c"># is reversed: it causes structure background to be white by default...</span> 834 <span class="k">open</span> <span class="w">CMPDHTMLFILE</span><span class="cm">,</span> <span class="q">">$CmpdHTMLFile"</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Can't open $CmpdHTMLFile: $! \n"</span><span class="sc">;</span> 835 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLPageHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrLinkTitle</span>}<span class="cm">,</span> <span class="i">$CSSRef</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerJSFileRef</span>}<span class="s">)</span><span class="sc">;</span> 836 837 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerJSFileRef</span>}<span class="s">)</span> <span class="s">{</span> 838 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupStrViewerJSInitCmd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>}<span class="s">)</span><span class="sc">;</span> 839 <span class="s">}</span> 840 841 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrLinkTitleDisplay</span>}<span class="s">)</span> <span class="s">{</span> 842 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLPageTitle</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrLinkTitle</span>}<span class="cm">,</span> <span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 843 <span class="s">}</span> 844 <span class="k">else</span> <span class="s">{</span> 845 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLEmptyLines</span><span class="s">(</span><span class="n">1</span><span class="s">)</span><span class="sc">;</span> 846 <span class="s">}</span> 847 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 848 849 <span class="c"># Setup structure display ...</span> 850 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="n">0</span><span class="cm">,</span> <span class="n">5</span><span class="cm">,</span> <span class="n">2</span><span class="s">)</span><span class="sc">;</span> 851 852 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="q">"center"</span><span class="cm">,</span> <span class="q">"#ffffff"</span><span class="cm">,</span> <span class="q">"middle"</span><span class="s">)</span><span class="sc">;</span> 853 854 <span class="i">SetupStructureDisplayForCmpdSummaryPage</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> \<span class="i">*CMPDHTMLFILE</span><span class="s">)</span><span class="sc">;</span> 855 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 856 857 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinkmode</span>} =~ <span class="q">/^plain$/i</span><span class="s">)</span> <span class="s">{</span> 858 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="q">"center"</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">StrLinkShadeColor</span>}<span class="s">)</span><span class="sc">;</span> 859 <span class="i">$Tag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">""</span><span class="s">)</span><span class="sc">;</span> 860 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$Tag</span><span class="sc">;</span> 861 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 862 <span class="s">}</span> 863 864 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="q">"left"</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="q">"middle"</span><span class="s">)</span><span class="sc">;</span> 865 <span class="c"># Start a new table with two columns, one each for data field labels and values, in</span> 866 <span class="c"># current column...</span> 867 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableColumnHeader</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 868 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"left"</span><span class="s">)</span><span class="sc">;</span> 869 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="n">0</span><span class="cm">,</span> <span class="n">5</span><span class="cm">,</span> <span class="n">2</span><span class="s">)</span><span class="sc">;</span> 870 871 <span class="c"># Setup table for other available data...</span> 872 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdRowHeaderTags</span><span class="s">)</span><span class="sc">;</span> 873 <span class="i">$CmpdRowHeaderTags</span> = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="q">"left"</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="q">"middle"</span><span class="s">)</span><span class="sc">;</span> 874 875 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 876 877 <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> 878 <span class="i">%DataFieldValues</span> = <span class="i">GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 879 880 <span class="k">my</span><span class="s">(</span><span class="i">$LabelWrapLength</span><span class="cm">,</span> <span class="i">$ValueWrapLength</span><span class="cm">,</span> <span class="i">$LabelColWidth</span><span class="s">)</span><span class="sc">;</span> 881 <span class="i">$LabelWrapLength</span> = <span class="n">30</span><span class="sc">;</span> <span class="i">$ValueWrapLength</span> = <span class="n">60</span><span class="sc">;</span> <span class="i">$LabelColWidth</span> = <span class="n">40</span><span class="sc">;</span> 882 883 <span class="k">for</span> <span class="i">$Label</span> <span class="s">(</span><span class="i">@DataFieldLabels</span><span class="s">)</span> <span class="s">{</span> 884 <span class="i">$Value</span> = <span class="i">$DataFieldValues</span>{<span class="i">$Label</span>}<span class="sc">;</span> 885 <span class="i">$Label</span> .= <span class="q">":"</span><span class="sc">;</span> 886 <span class="k">if</span> <span class="s">(</span><span class="i">$Label</span> && <span class="s">(</span><span class="k">length</span><span class="s">(</span><span class="i">$Label</span><span class="s">)</span> > <span class="i">$LabelWrapLength</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 887 <span class="i">$Label</span> = <span class="i">WrapText</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$LabelWrapLength</span><span class="cm">,</span> <span class="q">"<br>"</span><span class="s">)</span><span class="sc">;</span> 888 <span class="s">}</span> 889 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$CmpdRowHeaderTags</span><span class="sc">;</span> 890 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinkmode</span>} =~ <span class="q">/^plain$/i</span><span class="s">)</span> <span class="s">{</span> 891 <span class="i">$Tag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="n">1</span><span class="s">)</span><span class="sc">;</span> 892 <span class="s">}</span> 893 <span class="k">else</span> <span class="s">{</span> 894 <span class="i">$Tag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">StrLinkShadeColor</span>}<span class="s">)</span><span class="sc">;</span> 895 <span class="s">}</span> 896 <span class="i">$Tag</span> = <span class="i">InsertHTMLTags</span><span class="s">(</span><span class="i">$Tag</span><span class="cm">,</span> <span class="q">"width"</span><span class="cm">,</span> <span class="q">"$LabelColWidth"</span><span class="s">)</span><span class="sc">;</span> 897 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$Tag</span><span class="sc">;</span> 898 899 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> && <span class="s">(</span><span class="k">length</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span> >=<span class="i">$ValueWrapLength</span><span class="s">)</span> && <span class="i">$Value</span> !~ <span class="q">/a href/i</span><span class="s">)</span> <span class="s">{</span> 900 <span class="i">$Value</span> =~ <span class="q">s/(\r\n)|(\r)|\n//g</span><span class="sc">;</span> 901 <span class="i">$Value</span> = <span class="i">WrapText</span><span class="s">(</span><span class="i">$Value</span><span class="cm">,</span> <span class="i">$ValueWrapLength</span><span class="cm">,</span> <span class="q">"<br>"</span><span class="s">)</span><span class="sc">;</span> 902 <span class="s">}</span> 903 <span class="i">$Tag</span> = <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 904 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$Tag</span><span class="sc">;</span> 905 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 906 <span class="s">}</span> 907 908 <span class="c"># Finish up table holding numerical data...</span> 909 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 910 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"left"</span><span class="s">)</span><span class="sc">;</span> 911 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableColumnEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 912 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 913 914 <span class="c"># Finish up main table...</span> 915 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 916 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 917 918 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrLinkNavigation</span>} && <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] > <span class="n">1</span><span class="s">)</span> <span class="s">)</span> <span class="s">{</span> 919 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLEmptyLines</span><span class="s">(</span><span class="n">1</span><span class="s">)</span><span class="sc">;</span> 920 <span class="i">WriteCompoundSummaryNavigationLinks</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$CmpdNum</span><span class="cm">,</span> \<span class="i">*CMPDHTMLFILE</span><span class="s">)</span><span class="sc">;</span> 921 <span class="s">}</span> 922 923 <span class="k">print</span> <span class="i">CMPDHTMLFILE</span> <span class="i">SetupHTMLPageEnd</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FooterMsg</span>}<span class="s">)</span><span class="sc">;</span> 924 <span class="k">close</span> <span class="w">CMPDHTMLFILE</span><span class="sc">;</span> 925 926 <span class="c"># Add a link to compound's HTML file in table cell...</span> 927 <span class="i">$CmpdHTMLFileRef</span> = <span class="s">(</span><span class="i">$TableNum</span> == <span class="n">1</span><span class="s">)</span> ? <span class="q">".\/html\/"</span> <span class="co">:</span> <span class="q">".\/"</span><span class="sc">;</span> 928 <span class="i">$CmpdHTMLFileRef</span> .= <span class="i">$CmpdHTMLFileName</span><span class="sc">;</span> 929 930 <span class="k">return</span> <span class="i">$CmpdHTMLFileRef</span><span class="sc">;</span> 931 <span class="s">}</span> 932 933 <span class="c"># Write navigation link information for compound summary page...</span> <a name="WriteCompoundSummaryNavigationLinks-"></a> 934 <span class="k">sub </span><span class="m">WriteCompoundSummaryNavigationLinks</span> <span class="s">{</span> 935 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$CurCmpdNum</span><span class="cm">,</span> <span class="i">$CmpdHTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 936 <span class="k">my</span><span class="s">(</span><span class="i">$FirstTableNum</span><span class="cm">,</span> <span class="i">$CurTableIndex</span><span class="cm">,</span> <span class="i">$FirstCmpdNum</span><span class="cm">,</span> <span class="i">$LastCmpdNum</span><span class="cm">,</span> <span class="i">$PreviousCmpdNum</span><span class="cm">,</span> <span class="i">$NextCmpdNum</span><span class="cm">,</span> <span class="i">$HTMLFile</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="i">$HTMLRefValue</span><span class="s">)</span><span class="sc">;</span> 937 938 <span class="i">$FirstTableNum</span> = <span class="n">1</span><span class="sc">;</span> 939 <span class="i">$FirstCmpdNum</span> = <span class="n">1</span><span class="sc">;</span> 940 941 <span class="i">$CurTableIndex</span> = <span class="i">$CurTableNum</span> - <span class="n">1</span><span class="sc">;</span> 942 943 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> 944 <span class="k">my</span><span class="s">(</span><span class="i">$FirstTableIndex</span><span class="cm">,</span> <span class="i">$LastTableNum</span><span class="cm">,</span> <span class="i">$LastTableIndex</span><span class="s">)</span><span class="sc">;</span> 945 <span class="i">$FirstTableIndex</span> = <span class="i">$FirstTableNum</span> - <span class="n">1</span><span class="sc">;</span> 946 <span class="i">$LastTableNum</span> = <span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> <span class="i">$LastTableIndex</span> = <span class="i">$LastTableNum</span> - <span class="n">1</span><span class="sc">;</span> 947 <span class="i">$LastCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$LastTableIndex</span>]<span class="sc">;</span> 948 <span class="s">}</span> 949 <span class="k">else</span> <span class="s">{</span> 950 <span class="i">$LastCmpdNum</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 951 <span class="s">}</span> 952 953 <span class="i">$PreviousCmpdNum</span> = <span class="s">(</span><span class="i">$CurCmpdNum</span> == <span class="i">$FirstCmpdNum</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="s">(</span><span class="i">$CurCmpdNum</span> - <span class="n">1</span><span class="s">)</span><span class="sc">;</span> 954 <span class="i">$NextCmpdNum</span> = <span class="s">(</span><span class="i">$CurCmpdNum</span> == <span class="i">$LastCmpdNum</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="s">(</span><span class="i">$CurCmpdNum</span> + <span class="n">1</span><span class="s">)</span><span class="sc">;</span> 955 956 <span class="k">my</span><span class="s">(</span><span class="i">$InactiveLinkNumColor</span><span class="cm">,</span> <span class="i">$InactiveLinkFontBold</span><span class="s">)</span> = <span class="s">(</span><span class="q">"#8e2323"</span><span class="cm">,</span> <span class="q">"1"</span><span class="s">)</span><span class="sc">;</span> 957 <span class="k">my</span><span class="s">(</span><span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span> = <span class="s">(</span><span class="q">""</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="q">"0"</span><span class="s">)</span><span class="sc">;</span> 958 <span class="k">my</span><span class="s">(</span><span class="i">$BorderWidth</span><span class="cm">,</span> <span class="i">$CellPadding</span><span class="cm">,</span> <span class="i">$CellSpacing</span><span class="s">)</span> = <span class="s">(</span><span class="n">0</span><span class="cm">,</span> <span class="n">2</span><span class="cm">,</span> <span class="n">2</span><span class="s">)</span><span class="sc">;</span> 959 960 <span class="c"># Start link table...</span> 961 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 962 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLDivBegin</span><span class="s">(</span><span class="q">"tablenav"</span><span class="s">)</span><span class="sc">;</span> 963 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="i">$BorderWidth</span><span class="cm">,</span> <span class="i">$CellPadding</span><span class="cm">,</span> <span class="i">$CellSpacing</span><span class="s">)</span><span class="sc">;</span> 964 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>}<span class="sc">;</span> 965 966 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Compounds: "</span><span class="s">)</span><span class="sc">;</span> 967 968 <span class="c"># Setup a link to first compound...</span> 969 <span class="k">if</span> <span class="s">(</span><span class="i">$CurCmpdNum</span> != <span class="i">$FirstCmpdNum</span><span class="s">)</span> <span class="s">{</span> 970 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$FirstCmpdNum</span> . <span class="q">".html"</span><span class="sc">;</span> 971 <span class="i">$HTMLRefFile</span> = <span class="q">"./${HTMLFile}"</span><span class="sc">;</span> 972 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"First"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"First Compound"</span><span class="s">)</span><span class="sc">;</span> 973 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 974 <span class="s">}</span> 975 976 <span class="c"># Setup a link to previous compund</span> 977 <span class="k">if</span> <span class="s">(</span><span class="i">$PreviousCmpdNum</span><span class="s">)</span> <span class="s">{</span> 978 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$PreviousCmpdNum</span> . <span class="q">".html"</span><span class="sc">;</span> 979 <span class="i">$HTMLRefFile</span> = <span class="q">"./${HTMLFile}"</span><span class="sc">;</span> 980 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Previous"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Previous Compound"</span><span class="s">)</span><span class="sc">;</span> 981 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 982 <span class="s">}</span> 983 984 <span class="c"># Setup a link to compound table...</span> 985 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> 986 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$CurTableIndex</span>]<span class="sc">;</span> 987 <span class="s">}</span> 988 <span class="k">else</span> <span class="s">{</span> 989 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">".html"</span><span class="sc">;</span> 990 <span class="s">}</span> 991 <span class="i">$HTMLRefFile</span> = <span class="s">(</span><span class="s">(</span><span class="i">$CurTableNum</span> == <span class="i">$FirstTableNum</span><span class="s">)</span> ? <span class="q">"../"</span> <span class="co">:</span> <span class="q">"./"</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 992 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Table"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Table With This Compound"</span><span class="s">)</span><span class="sc">;</span> 993 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 994 995 <span class="c"># Setup a link to next compound...</span> 996 <span class="k">if</span> <span class="s">(</span><span class="i">$NextCmpdNum</span><span class="s">)</span> <span class="s">{</span> 997 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$NextCmpdNum</span> . <span class="q">".html"</span><span class="sc">;</span> 998 <span class="i">$HTMLRefFile</span> = <span class="q">"./${HTMLFile}"</span><span class="sc">;</span> 999 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Next"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Next Compound"</span><span class="s">)</span><span class="sc">;</span> 1000 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1001 <span class="s">}</span> 1002 1003 <span class="c"># Setup a link to last compund</span> 1004 <span class="k">if</span> <span class="s">(</span><span class="i">$CurCmpdNum</span> != <span class="i">$LastCmpdNum</span><span class="s">)</span> <span class="s">{</span> 1005 <span class="i">$HTMLFile</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="q">"Cmpd"</span> . <span class="i">$LastCmpdNum</span> . <span class="q">".html"</span><span class="sc">;</span> 1006 <span class="i">$HTMLRefFile</span> = <span class="q">"./${HTMLFile}"</span><span class="sc">;</span> 1007 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Last"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Last Compound"</span><span class="s">)</span><span class="sc">;</span> 1008 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1009 <span class="s">}</span> 1010 1011 <span class="c"># Setup current table info text....</span> 1012 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1013 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1014 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Showing $CurCmpdNum of $LastCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1015 1016 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 1017 1018 <span class="c"># End link table...</span> 1019 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1020 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLDivEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1021 <span class="k">print</span> <span class="i">$CmpdHTMLFileRef</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 1022 <span class="s">}</span> 1023 1024 <span class="c"># Setup navigation link information for each table.</span> 1025 <span class="c">#</span> 1026 <span class="c"># All table sets besides first and last have these links: FirstTable, Previous, Current-1,Current,Current+1, Next, and LastTable</span> 1027 <span class="c"># First set: Current, Next, and LastTable</span> 1028 <span class="c"># Last set: FirstTable, Previous and Current.</span> 1029 <span class="c">#</span> <a name="WriteNavigationLinks-"></a>1030 <span class="k">sub </span><span class="m">WriteNavigationLinks</span> <span class="s">{</span> 1031 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$HTMLFileRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1032 <span class="k">my</span><span class="s">(</span><span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$StartTableNum</span><span class="cm">,</span> <span class="i">$EndTableNum</span><span class="cm">,</span> <span class="i">$TableIndex</span><span class="cm">,</span> <span class="i">$BorderWidth</span><span class="cm">,</span> <span class="i">$CellPadding</span><span class="cm">,</span> <span class="i">$CellSpacing</span><span class="cm">,</span><span class="i">$HTMLFile</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="i">$RelativeFileDir</span><span class="cm">,</span> <span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="cm">,</span> <span class="i">$FirstTableIndex</span><span class="cm">,</span> <span class="i">$LastTableNum</span><span class="cm">,</span> <span class="i">$LastTableIndex</span><span class="cm">,</span> <span class="i">$TableStartCmpdNum</span><span class="cm">,</span> <span class="i">$TableEndCmpdNum</span><span class="cm">,</span> <span class="i">$LastCmpdNum</span><span class="cm">,</span> <span class="i">$BGColor</span><span class="cm">,</span> <span class="i">$LinksOffSet</span><span class="s">)</span><span class="sc">;</span> 1033 1034 <span class="i">$LinksOffSet</span> = <span class="n">10</span><span class="sc">;</span> 1035 1036 <span class="i">$FirstTableNum</span> = <span class="n">1</span><span class="sc">;</span> <span class="i">$FirstTableIndex</span> = <span class="i">$FirstTableNum</span> - <span class="n">1</span><span class="sc">;</span> 1037 <span class="i">$LastTableNum</span> = <span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> <span class="i">$LastTableIndex</span> = <span class="i">$LastTableNum</span> - <span class="n">1</span><span class="sc">;</span> 1038 <span class="i">$LastCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$LastTableIndex</span>]<span class="sc">;</span> 1039 1040 <span class="c"># Figure out which links to display for a particular table...</span> 1041 <span class="i">$StartTableNum</span> = <span class="i">$CurTableNum</span> - <span class="i">$LinksOffSet</span> + <span class="n">1</span><span class="sc">;</span> 1042 <span class="i">$StartTableNum</span> = <span class="s">(</span><span class="i">$StartTableNum</span> < <span class="i">$FirstTableNum</span><span class="s">)</span> ? <span class="i">$FirstTableNum</span> <span class="co">:</span> <span class="i">$StartTableNum</span><span class="sc">;</span> 1043 <span class="k">if</span> <span class="s">(</span><span class="i">$CurTableNum</span> < <span class="i">$LinksOffSet</span><span class="s">)</span> <span class="s">{</span> 1044 <span class="i">$EndTableNum</span> = <span class="i">$LinksOffSet</span><span class="sc">;</span> 1045 <span class="s">}</span> 1046 <span class="k">else</span> <span class="s">{</span> 1047 <span class="i">$EndTableNum</span> = <span class="i">$CurTableNum</span> + <span class="i">$LinksOffSet</span> - <span class="n">1</span><span class="sc">;</span> 1048 <span class="s">}</span> 1049 <span class="i">$EndTableNum</span> = <span class="s">(</span><span class="i">$EndTableNum</span> > <span class="i">$LastTableNum</span><span class="s">)</span> ? <span class="i">$LastTableNum</span> <span class="co">:</span> <span class="i">$EndTableNum</span><span class="sc">;</span> 1050 1051 <span class="k">my</span><span class="s">(</span><span class="i">$InactiveLinkNumColor</span><span class="cm">,</span> <span class="i">$InactiveLinkFontBold</span><span class="s">)</span> = <span class="s">(</span><span class="q">"#8e2323"</span><span class="cm">,</span> <span class="q">"1"</span><span class="s">)</span><span class="sc">;</span> 1052 <span class="k">my</span><span class="s">(</span><span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span> = <span class="s">(</span><span class="q">""</span><span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="q">"1"</span><span class="s">)</span><span class="sc">;</span> 1053 1054 <span class="c"># Start link table...</span> 1055 <span class="i">$BorderWidth</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$CellPadding</span> = <span class="n">2</span><span class="sc">;</span> <span class="i">$CellSpacing</span> = <span class="n">2</span><span class="sc">;</span> 1056 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLAlignmentBegin</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 1057 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLDivBegin</span><span class="s">(</span><span class="q">"tablenav"</span><span class="s">)</span><span class="sc">;</span> 1058 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableHeader</span><span class="s">(</span><span class="i">$BorderWidth</span><span class="cm">,</span> <span class="i">$CellPadding</span><span class="cm">,</span> <span class="i">$CellSpacing</span><span class="s">)</span><span class="sc">;</span> 1059 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>}<span class="sc">;</span> 1060 1061 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NavLinksTableInfo</span>} && <span class="i">$OptionsInfo</span>{<span class="w">NavLinksCmpdInfo</span>}<span class="s">)</span> <span class="s">{</span> 1062 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Showing table $CurTableNum of $LastTableNum"</span><span class="s">)</span><span class="sc">;</span> 1063 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1064 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1065 <span class="s">}</span> 1066 1067 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Tables: "</span><span class="s">)</span><span class="sc">;</span> 1068 <span class="c"># Setup a link to first table...</span> 1069 <span class="k">if</span> <span class="s">(</span><span class="i">$StartTableNum</span> != <span class="i">$FirstTableNum</span><span class="s">)</span> <span class="s">{</span> 1070 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$FirstTableIndex</span>]<span class="sc">;</span> 1071 <span class="i">$HTMLRefFile</span> = <span class="i">GetRelativeFileDir</span><span class="s">(</span><span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 1072 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$FirstTableIndex</span>]<span class="sc">;</span> 1073 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$FirstTableIndex</span>]<span class="sc">;</span> 1074 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"First"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"First Table Containing Compounds $TableStartCmpdNum To $TableEndCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1075 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1076 <span class="s">}</span> 1077 1078 <span class="c"># Setup link to previous table...</span> 1079 <span class="k">if</span> <span class="s">(</span><span class="i">$CurTableNum</span> != <span class="i">$FirstTableNum</span><span class="s">)</span> <span class="s">{</span> 1080 <span class="k">my</span><span class="s">(</span><span class="i">$PreviousTableNum</span><span class="cm">,</span> <span class="i">$PreviousTableIndex</span><span class="s">)</span><span class="sc">;</span> 1081 <span class="i">$PreviousTableNum</span> = <span class="i">$CurTableNum</span> - <span class="n">1</span><span class="sc">;</span> <span class="i">$PreviousTableIndex</span> = <span class="i">$PreviousTableNum</span> - <span class="n">1</span><span class="sc">;</span> 1082 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$PreviousTableIndex</span>]<span class="sc">;</span> 1083 <span class="i">$HTMLRefFile</span> = <span class="i">GetRelativeFileDir</span><span class="s">(</span><span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$PreviousTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 1084 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$PreviousTableIndex</span>]<span class="sc">;</span> 1085 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$PreviousTableIndex</span>]<span class="sc">;</span> 1086 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Previous"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Previous Table Containing Compounds $TableStartCmpdNum To $TableEndCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1087 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1088 <span class="s">}</span> 1089 1090 <span class="k">for</span> <span class="i">$TableNum</span> <span class="s">(</span><span class="i">$StartTableNum</span> .. <span class="i">$EndTableNum</span><span class="s">)</span> <span class="s">{</span> 1091 <span class="i">$TableIndex</span> = <span class="i">$TableNum</span> - <span class="n">1</span><span class="sc">;</span> 1092 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 1093 <span class="k">if</span> <span class="s">(</span><span class="i">$TableNum</span> == <span class="i">$CurTableNum</span><span class="s">)</span> <span class="s">{</span> 1094 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$InactiveLinkNumColor</span><span class="cm">,</span> <span class="i">$InactiveLinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1095 <span class="s">}</span> 1096 <span class="k">else</span> <span class="s">{</span> 1097 <span class="c"># Setup the link...</span> 1098 <span class="k">my</span><span class="s">(</span><span class="i">$RefTitle</span><span class="s">)</span><span class="sc">;</span> 1099 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 1100 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$TableIndex</span>]<span class="sc">;</span> 1101 <span class="i">$RefTitle</span> = <span class="i">AddNumberSuffix</span><span class="s">(</span><span class="i">$TableNum</span><span class="s">)</span> . <span class="q">" Table Containing Compounds $TableStartCmpdNum To $TableEndCmpdNum"</span><span class="sc">;</span> 1102 <span class="i">$HTMLRefFile</span> = <span class="i">GetRelativeFileDir</span><span class="s">(</span><span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 1103 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="i">$TableNum</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="i">$RefTitle</span><span class="s">)</span><span class="sc">;</span> 1104 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="s">)</span><span class="sc">;</span> 1105 <span class="s">}</span> 1106 <span class="s">}</span> 1107 1108 <span class="c"># Setup link to next table...</span> 1109 <span class="k">if</span> <span class="s">(</span><span class="i">$CurTableNum</span> != <span class="i">$LastTableNum</span><span class="s">)</span> <span class="s">{</span> 1110 <span class="k">my</span><span class="s">(</span><span class="i">$NextTableNum</span><span class="cm">,</span> <span class="i">$NextTableIndex</span><span class="s">)</span><span class="sc">;</span> 1111 <span class="i">$NextTableNum</span> = <span class="i">$CurTableNum</span> + <span class="n">1</span><span class="sc">;</span> <span class="i">$NextTableIndex</span> = <span class="i">$NextTableNum</span> - <span class="n">1</span><span class="sc">;</span> 1112 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$NextTableIndex</span>]<span class="sc">;</span> 1113 <span class="i">$HTMLRefFile</span> = <span class="i">GetRelativeFileDir</span><span class="s">(</span><span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$NextTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 1114 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$NextTableIndex</span>]<span class="sc">;</span> 1115 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$NextTableIndex</span>]<span class="sc">;</span> 1116 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Next"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Next Table Containing Compounds $TableStartCmpdNum To $TableEndCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1117 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1118 <span class="s">}</span> 1119 1120 <span class="c"># Setup link to last table...</span> 1121 <span class="k">if</span> <span class="s">(</span><span class="i">$EndTableNum</span> != <span class="i">$LastTableNum</span><span class="s">)</span> <span class="s">{</span> 1122 <span class="i">$HTMLFile</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}[<span class="i">$LastTableIndex</span>]<span class="sc">;</span> 1123 <span class="i">$HTMLRefFile</span> = <span class="i">GetRelativeFileDir</span><span class="s">(</span><span class="i">$CurTableNum</span><span class="cm">,</span> <span class="i">$LastTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> . <span class="i">$HTMLFile</span><span class="sc">;</span> 1124 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$LastTableIndex</span>]<span class="sc">;</span> 1125 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$LastTableIndex</span>]<span class="sc">;</span> 1126 <span class="i">$HTMLRefValue</span> = <span class="i">SetupHTMLHRef</span><span class="s">(</span><span class="q">"Last"</span><span class="cm">,</span> <span class="i">$HTMLRefFile</span><span class="cm">,</span> <span class="q">"Last Table Containing Compounds $TableStartCmpdNum To $TableEndCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1127 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="i">$HTMLRefValue</span><span class="cm">,</span> <span class="i">$LinkBGColor</span><span class="cm">,</span> <span class="i">$LinkTextColor</span><span class="cm">,</span> <span class="i">$LinkFontBold</span><span class="s">)</span><span class="sc">;</span> 1128 <span class="s">}</span> 1129 <span class="c"># Setup current table info text....</span> 1130 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1131 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"&nbsp"</span><span class="s">)</span><span class="sc">;</span> 1132 <span class="i">$TableStartCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$CurTableNum</span> - <span class="n">1</span>]<span class="sc">;</span> 1133 <span class="i">$TableEndCmpdNum</span> = <span class="i">$</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}[<span class="i">$CurTableNum</span> - <span class="n">1</span>]<span class="sc">;</span> 1134 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">NavLinksCmpdInfo</span>}<span class="s">)</span> <span class="s">{</span> 1135 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Showing compounds $TableStartCmpdNum to $TableEndCmpdNum of $LastCmpdNum"</span><span class="s">)</span><span class="sc">;</span> 1136 <span class="s">}</span> 1137 <span class="k">else</span> <span class="s">{</span> 1138 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableRowDataValue</span><span class="s">(</span><span class="q">"Showing table $CurTableNum of $LastTableNum"</span><span class="s">)</span><span class="sc">;</span> 1139 <span class="s">}</span> 1140 1141 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>}<span class="sc">;</span> 1142 <span class="c"># End link table...</span> 1143 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLTableEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1144 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLDivEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1145 <span class="k">print</span> <span class="i">$HTMLFileRef</span> <span class="i">SetupHTMLAlignmentEnd</span><span class="s">(</span><span class="q">"center"</span><span class="s">)</span><span class="sc">;</span> 1146 <span class="s">}</span> 1147 1148 <span class="c"># Generate relative directory path...</span> <a name="GetRelativeFileDir-"></a>1149 <span class="k">sub </span><span class="m">GetRelativeFileDir</span> <span class="s">{</span> 1150 <span class="k">my</span><span class="s">(</span><span class="i">$FromTableNum</span><span class="cm">,</span> <span class="i">$ToTableNum</span><span class="cm">,</span> <span class="i">$FirstTableNum</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1151 <span class="k">my</span><span class="s">(</span><span class="i">$RelativeFileDir</span><span class="s">)</span> = <span class="q">""</span><span class="sc">;</span> 1152 1153 <span class="k">if</span> <span class="s">(</span><span class="i">$FromTableNum</span> == <span class="i">$FirstTableNum</span><span class="s">)</span> <span class="s">{</span> 1154 <span class="i">$RelativeFileDir</span> = <span class="s">(</span><span class="i">$ToTableNum</span> == <span class="i">$FirstTableNum</span><span class="s">)</span> ? <span class="q">".\/"</span> <span class="co">:</span> <span class="q">".\/html\/"</span><span class="sc">;</span> 1155 <span class="s">}</span> 1156 <span class="k">else</span> <span class="s">{</span> 1157 <span class="i">$RelativeFileDir</span> = <span class="s">(</span><span class="i">$ToTableNum</span> == <span class="i">$FirstTableNum</span><span class="s">)</span> ? <span class="q">"..\/"</span> <span class="co">:</span> <span class="q">".\/"</span><span class="sc">;</span> 1158 <span class="s">}</span> 1159 <span class="k">return</span> <span class="i">$RelativeFileDir</span><span class="sc">;</span> 1160 <span class="s">}</span> 1161 1162 <span class="c"># Based on hightlight stype, return appropriate colors for background or text...</span> <a name="GetValueHighlightColors-"></a>1163 <span class="k">sub </span><span class="m">GetValueHighlightColors</span> <span class="s">{</span> 1164 <span class="k">my</span><span class="s">(</span><span class="i">$Label</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1165 <span class="k">my</span><span class="s">(</span><span class="i">$DataType</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="cm">,</span> <span class="i">$CriterionValue</span><span class="cm">,</span> <span class="i">$BgColor</span><span class="cm">,</span> <span class="i">$FontColor</span><span class="cm">,</span> <span class="i">$ValueOk</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="s">)</span><span class="sc">;</span> 1166 1167 <span class="i">$BgColor</span> = <span class="q">""</span><span class="sc">;</span> <span class="i">$FontColor</span> = <span class="q">""</span><span class="sc">;</span> 1168 <span class="i">$DataType</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldTypesMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> 1169 <span class="i">$Criterion</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldCriteriaMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> 1170 <span class="i">$CriterionValue</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldValueMap</span>}{<span class="i">$Label</span>}<span class="sc">;</span> 1171 1172 <span class="i">$ValueOk</span> = <span class="n">0</span><span class="sc">;</span> 1173 <span class="k">if</span> <span class="s">(</span><span class="i">$DataType</span> =~ <span class="q">/^numeric$/i</span><span class="s">)</span> <span class="s">{</span> 1174 <span class="j">NUMSWITCH:</span> <span class="s">{</span> 1175 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> >= <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">NUMSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1176 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> <= <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">NUMSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1177 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> == <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">NUMSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1178 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> 1179 <span class="s">}</span> 1180 <span class="s">}</span> 1181 <span class="k">else</span> <span class="s">{</span> 1182 <span class="j">TEXTSWITCH:</span> <span class="s">{</span> 1183 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^ge$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> <span class="k">ge</span> <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">TEXTSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1184 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^le$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> <span class="k">le</span> <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">TEXTSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1185 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> =~ <span class="q">/^eq$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$ValueOk</span> = <span class="s">(</span><span class="i">$Value</span> <span class="k">eq</span> <span class="i">$CriterionValue</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> <span class="k">last</span> <span class="j">TEXTSWITCH</span><span class="sc">;</span> <span class="s">}</span> 1186 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> 1187 <span class="s">}</span> 1188 <span class="s">}</span> 1189 <span class="i">$BgColor</span> = <span class="i">$ValueOk</span> ? <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>}<span class="sc">;</span> 1190 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">highlightstyle</span>} =~ <span class="q">/^text$/i</span><span class="s">)</span> <span class="s">{</span> 1191 <span class="i">$BgColor</span> = <span class="q">""</span><span class="sc">;</span> 1192 <span class="i">$FontColor</span> = <span class="i">$ValueOk</span> ? <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} <span class="co">:</span> <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>}<span class="sc">;</span> 1193 <span class="s">}</span> 1194 <span class="k">return</span> <span class="s">(</span><span class="i">$BgColor</span><span class="cm">,</span> <span class="i">$FontColor</span><span class="s">)</span><span class="sc">;</span> 1195 <span class="s">}</span> 1196 1197 <span class="c">#Make sure appropriate mode specific option values are specified...</span> <a name="ProcessOptions-"></a>1198 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span> 1199 1200 <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1201 1202 <span class="i">$OptionsInfo</span>{<span class="w">TitleDisplay</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">titledisplay</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1203 1204 <span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>} = <span class="q">"left"</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>} = <span class="q">"middle"</span><span class="sc">;</span> 1205 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">align</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1206 <span class="k">my</span> <span class="s">(</span><span class="i">@AlignValues</span><span class="s">)</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">align</span>}<span class="sc">;</span> 1207 <span class="k">if</span> <span class="s">(</span><span class="i">@AlignValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1208 <span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1209 <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1210 <span class="s">}</span> 1211 <span class="k">elsif</span> <span class="s">(</span><span class="i">@AlignValues</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 1212 <span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1213 <span class="s">}</span> 1214 <span class="k">else</span> <span class="s">{</span> 1215 <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">@AlignValues</span><span class="s">)</span> <span class="cm">,</span> <span class="q">", specified by \"-a --align\" option.\nIt must contain only one or two values.\n"</span><span class="sc">;</span> 1216 <span class="s">}</span> 1217 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>} !~ <span class="q">/^(left|center|right)$/i</span><span class="s">)</span> <span class="s">{</span> 1218 <span class="k">die</span> <span class="q">"Error: The horizontal alignment value specified, $Options{align}, for option \"-a --align\" is not valid. Allowed values: left, center, or right\n"</span><span class="sc">;</span> 1219 <span class="s">}</span> 1220 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>} !~ <span class="q">/^(top|middle|bottom)$/i</span><span class="s">)</span> <span class="s">{</span> 1221 <span class="k">die</span> <span class="q">"Error: The horizontal alignment value specified, $Options{align}, for option \"-a --align\" is not valid. Allowed values: top, middle, or bottom\n"</span><span class="sc">;</span> 1222 <span class="s">}</span> 1223 <span class="s">}</span> 1224 1225 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowHAlignment</span>} = <span class="q">"center"</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowVAlignment</span>} = <span class="q">"middle"</span><span class="sc">;</span> 1226 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">headeralign</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1227 <span class="k">my</span> <span class="s">(</span><span class="i">@AlignValues</span><span class="s">)</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">headeralign</span>}<span class="sc">;</span> 1228 <span class="k">if</span> <span class="s">(</span><span class="i">@AlignValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1229 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowHAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1230 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowVAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1231 <span class="s">}</span> 1232 <span class="k">elsif</span> <span class="s">(</span><span class="i">@AlignValues</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 1233 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowHAlignment</span>} = <span class="i">$AlignValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1234 <span class="s">}</span> 1235 <span class="k">else</span> <span class="s">{</span> 1236 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@AlignValues</span><span class="s">)</span> <span class="cm">,</span> <span class="q">", specified by \"--headeralign\" option.\nIt must contain only one or two value.\n"</span><span class="sc">;</span> 1237 <span class="s">}</span> 1238 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowHAlignment</span>} !~ <span class="q">/^(left|center|right)$/i</span><span class="s">)</span> <span class="s">{</span> 1239 <span class="k">die</span> <span class="q">"Error: The horizontal alignment value specified, $Options{headeralign}, for option \"--headeralign\" is not valid. Allowed values: left, center, or right\n"</span><span class="sc">;</span> 1240 <span class="s">}</span> 1241 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowVAlignment</span>} !~ <span class="q">/^(top|middle|bottom)$/i</span><span class="s">)</span> <span class="s">{</span> 1242 <span class="k">die</span> <span class="q">"Error: The horizontal alignment value specified, $Options{headeralign}, for option \"-a --headeralign\" is not valid. Allowed values: top, middle, or bottom\n"</span><span class="sc">;</span> 1243 <span class="s">}</span> 1244 <span class="s">}</span> 1245 1246 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">border</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1247 <span class="i">$OptionsInfo</span>{<span class="w">TableBorder</span>} = <span class="i">$Options</span>{<span class="w">border</span>}<span class="sc">;</span> 1248 <span class="s">}</span> 1249 <span class="k">else</span> <span class="s">{</span> 1250 <span class="i">$OptionsInfo</span>{<span class="w">TableBorder</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(plain|highlight)$/i</span><span class="s">)</span> || <span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^structuresonly$/i</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1251 <span class="s">}</span> 1252 <span class="i">$OptionsInfo</span>{<span class="w">TableCellPadding</span>} = <span class="i">$Options</span>{<span class="w">cellpadding</span>}<span class="sc">;</span> 1253 <span class="i">$OptionsInfo</span>{<span class="w">TableCellSpacing</span>} = <span class="i">$Options</span>{<span class="w">cellspacing</span>}<span class="sc">;</span> 1254 <span class="i">$OptionsInfo</span>{<span class="w">FooterMsg</span>} = <span class="i">$Options</span>{<span class="w">footer</span>} ? <span class="i">$Options</span>{<span class="w">footer</span>} <span class="co">:</span> <span class="q">""</span><span class="sc">;</span> 1255 1256 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">headercolor</span>}<span class="s">)</span> <span class="s">{</span> 1257 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowColor</span>} = <span class="i">$Options</span>{<span class="w">headercolor</span>}<span class="sc">;</span> 1258 <span class="s">}</span> 1259 <span class="k">else</span> <span class="s">{</span> 1260 <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowColor</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^plain$/i</span><span class="s">)</span> ? <span class="q">""</span> <span class="co">:</span> <span class="q">"#e0e9eb"</span><span class="sc">;</span> 1261 <span class="s">}</span> 1262 1263 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksAtBottom</span>} = <span class="n">1</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">NavLinksAtTop</span>} = <span class="n">0</span><span class="sc">;</span> 1264 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">displaylinks</span>} =~ <span class="q">/^(both|top)$/i</span><span class="s">)</span> <span class="s">{</span> 1265 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksAtTop</span>} = <span class="n">1</span><span class="sc">;</span> 1266 <span class="s">}</span> 1267 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksTableInfo</span>} = <span class="n">1</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">NavLinksCmpdInfo</span>} = <span class="n">0</span><span class="sc">;</span> 1268 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">displaylinksinfo</span>} =~ <span class="q">/^both$/i</span><span class="s">)</span> <span class="s">{</span> 1269 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksCmpdInfo</span>} = <span class="n">1</span><span class="sc">;</span> 1270 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksTableInfo</span>} = <span class="n">1</span><span class="sc">;</span> 1271 <span class="s">}</span> 1272 <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">displaylinksinfo</span>} =~ <span class="q">/^compound$/i</span><span class="s">)</span> <span class="s">{</span> 1273 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksCmpdInfo</span>} = <span class="n">1</span><span class="sc">;</span> 1274 <span class="i">$OptionsInfo</span>{<span class="w">NavLinksTableInfo</span>} = <span class="n">0</span><span class="sc">;</span> 1275 <span class="s">}</span> 1276 1277 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} =~ <span class="q">/^old$/i</span> <span class="s">)</span> <span class="s">{</span> 1278 <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">stylesheetname</span>}<span class="s">)</span> <span class="s">{</span> 1279 <span class="k">die</span> <span class="q">"Error: No stylesheet name specified using \"--stylesheetname\" option: It is required for \"old\" value of \"-s --stylesheet\" option. \n"</span><span class="sc">;</span> 1280 <span class="s">}</span> 1281 <span class="s">}</span> 1282 1283 <span class="k">my</span><span class="s">(</span><span class="i">@ColorValues</span><span class="s">)</span><span class="sc">;</span> 1284 <span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>} = <span class="n">0</span><span class="sc">;</span> 1285 <span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>} = <span class="q">"#ffffff"</span><span class="sc">;</span> 1286 <span class="i">$OptionsInfo</span>{<span class="w">EvenRowsShadeColor</span>} = <span class="q">"#e0e9eb"</span><span class="sc">;</span> 1287 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">shadecolor</span>}<span class="s">)</span> <span class="s">{</span> 1288 <span class="c"># Make sure only one value is specified...</span> 1289 <span class="i">@ColorValues</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">shadecolor</span>}<span class="sc">;</span> 1290 <span class="k">if</span> <span class="s">(</span><span class="i">@ColorValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1291 <span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>} = <span class="i">$ColorValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1292 <span class="i">$OptionsInfo</span>{<span class="w">EvenRowsShadeColor</span>} = <span class="i">$ColorValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1293 <span class="s">}</span> 1294 <span class="k">else</span> <span class="s">{</span> 1295 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@ColorValues</span><span class="s">)</span> <span class="cm">,</span> <span class="q">", specified by \"--shadecolor\" option.\nIt must contain only two value.\n"</span><span class="sc">;</span> 1296 <span class="s">}</span> 1297 <span class="s">}</span> 1298 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(shade|shadedhighlight|shadedstructuresonly)$/i</span><span class="s">)</span> <span class="s">{</span> 1299 <span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>} = <span class="n">1</span><span class="sc">;</span> 1300 <span class="s">}</span> 1301 1302 <span class="i">$OptionsInfo</span>{<span class="w">SettingUpCmpdSummaryPage</span>} = <span class="n">0</span><span class="sc">;</span> 1303 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkShadeColor</span>} = <span class="s">(</span><span class="k">exists</span> <span class="i">$Options</span>{<span class="w">strlinkshadecolor</span>}<span class="s">)</span> ? <span class="i">$Options</span>{<span class="w">strlinkshadecolor</span>} <span class="co">:</span> <span class="q">"#e0e9eb"</span><span class="sc">;</span> 1304 <span class="i">$OptionsInfo</span>{<span class="w">DisplayStructure</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">structure</span>} =~ <span class="q">/^display$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1305 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} = <span class="i">$Options</span>{<span class="w">strviewertype</span>}<span class="sc">;</span> 1306 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkNavigation</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinknavigation</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1307 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkTitleDisplay</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktitledisplay</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1308 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkTitle</span>} = <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktitle</span>}<span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktitle</span>}<span class="s">)</span><span class="s">)</span> ? <span class="q">"$Options{strlinktitle}"</span> <span class="co">:</span> <span class="q">"Compound Summary"</span><span class="sc">;</span> 1309 1310 <span class="k">my</span><span class="s">(</span><span class="i">$StrViewerEmbedUsingJS</span><span class="s">)</span> = <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewerembed</span>} =~ <span class="q">/^javascript$/i</span><span class="s">)</span> && <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(Jmol|MarvinView|ChemDrawPlugIn|ChemDrawActiveX|Chem3DActiveX)$/i</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> 1311 1312 <span class="i">$OptionsInfo</span>{<span class="w">StrTableRows</span>} = <span class="n">6</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>} = <span class="n">4</span><span class="sc">;</span> 1313 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strtablesize</span>}<span class="s">)</span> <span class="s">{</span> 1314 <span class="k">my</span><span class="s">(</span><span class="i">@StrTableSizeValues</span><span class="s">)</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">strtablesize</span>}<span class="sc">;</span> 1315 <span class="k">if</span> <span class="s">(</span><span class="i">@StrTableSizeValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1316 <span class="i">$OptionsInfo</span>{<span class="w">StrTableRows</span>} = <span class="i">$StrTableSizeValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1317 <span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>} = <span class="i">$StrTableSizeValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1318 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrTableRows</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1319 <span class="k">die</span> <span class="q">"Error: The first value specified, $OptionsInfo{StrTableRows}, for option \"--strtablesize\" is not valid: Allowed integer values: > 0.\n"</span><span class="sc">;</span> 1320 <span class="s">}</span> 1321 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1322 <span class="k">die</span> <span class="q">"Error: The first value specified, $OptionsInfo{StrTableCols}, for option \"--strtablesize\" is not valid: Allowed integer values: > 0.\n"</span><span class="sc">;</span> 1323 <span class="s">}</span> 1324 <span class="s">}</span> 1325 <span class="k">else</span> <span class="s">{</span> 1326 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@StrTableSizeValues</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified by \"--strtablesize\" option.\nIt must contain only two value for structuresonly \"-m --mode\" option.\n"</span><span class="sc">;</span> 1327 <span class="s">}</span> 1328 <span class="s">}</span> 1329 1330 <span class="c"># Setup applet information...</span> 1331 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>} = <span class="i">GetMayaChemToolsLibDirName</span><span class="s">(</span><span class="s">)</span> . <span class="q">"/Jmol"</span><span class="sc">;</span> 1332 <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="sc">;</span> 1333 <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="sc">;</span> 1334 1335 <span class="k">my</span><span class="s">(</span><span class="i">$StrViewerAppletArchive</span><span class="cm">,</span> <span class="i">$StrViewerAppletCode</span><span class="s">)</span> = <span class="i">SetupDefaultAppletArchiveAndCode</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="s">)</span><span class="sc">;</span> 1336 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewerconfig</span>}<span class="s">)</span> <span class="s">{</span> 1337 <span class="k">my</span><span class="s">(</span><span class="i">@StrViewerConfigParts</span><span class="s">)</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">strviewerconfig</span>}<span class="sc">;</span> 1338 <span class="k">if</span> <span class="s">(</span><span class="i">@StrViewerConfigParts</span> >=<span class="n">1</span> && <span class="i">@StrViewerConfigParts</span> <= <span class="n">3</span><span class="s">)</span> <span class="s">{</span> 1339 <span class="k">if</span> <span class="s">(</span><span class="i">@StrViewerConfigParts</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> 1340 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>} = <span class="i">$StrViewerConfigParts</span>[<span class="n">0</span>]<span class="sc">;</span> 1341 <span class="i">$StrViewerAppletArchive</span> = <span class="i">$StrViewerConfigParts</span>[<span class="n">1</span>]<span class="sc">;</span> 1342 <span class="i">$StrViewerAppletCode</span> = <span class="i">$StrViewerConfigParts</span>[<span class="n">2</span>]<span class="sc">;</span> 1343 <span class="s">}</span> 1344 <span class="k">elsif</span> <span class="s">(</span><span class="i">@StrViewerConfigParts</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1345 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>} = <span class="i">$StrViewerConfigParts</span>[<span class="n">0</span>]<span class="sc">;</span> 1346 <span class="i">$StrViewerAppletArchive</span> = <span class="i">$StrViewerConfigParts</span>[<span class="n">1</span>]<span class="sc">;</span> 1347 <span class="k">my</span><span class="s">(</span><span class="i">$AppletArchive</span><span class="cm">,</span> <span class="i">$AppletCode</span><span class="s">)</span> = <span class="i">SetupDefaultAppletArchiveAndCode</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="s">)</span><span class="sc">;</span> 1348 <span class="i">$StrViewerAppletCode</span> = <span class="i">$AppletCode</span><span class="sc">;</span> 1349 <span class="s">}</span> 1350 <span class="k">else</span> <span class="s">{</span> 1351 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>} = <span class="i">$StrViewerConfigParts</span>[<span class="n">0</span>]<span class="sc">;</span> 1352 <span class="s">(</span><span class="i">$StrViewerAppletArchive</span><span class="cm">,</span> <span class="i">$StrViewerAppletCode</span><span class="s">)</span> = <span class="i">SetupDefaultAppletArchiveAndCode</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>}<span class="s">)</span><span class="sc">;</span> 1353 <span class="s">}</span> 1354 <span class="s">}</span> 1355 <span class="k">else</span> <span class="s">{</span> 1356 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@StrViewerConfigParts</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified by \"--strviewerconfig\" option.\nNumver of allowed values:1 to 3 \n"</span><span class="sc">;</span> 1357 <span class="s">}</span> 1358 <span class="s">}</span> 1359 <span class="k">else</span> <span class="s">{</span> 1360 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(JME|MarvinView)$/i</span> <span class="s">)</span> <span class="s">{</span> 1361 <span class="k">die</span> <span class="q">"Error: No codebase specified using \"--strviewerconfig\" option for $OptionsInfo{StrViewerType} structure viewer\n"</span><span class="sc">;</span> 1362 <span class="s">}</span> 1363 <span class="k">if</span> <span class="s">(</span><span class="i">$StrViewerEmbedUsingJS</span> && <span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} !~ <span class="q">/^Jmol$/i</span><span class="s">)</span> <span class="s">{</span> 1364 <span class="k">die</span> <span class="q">"Error: No codebase specified using \"--strviewerconfig\" option for javascript value of \"--strviewerembed\" option for $OptionsInfo{StrViewerType} structure viewer \n"</span><span class="sc">;</span> 1365 <span class="s">}</span> 1366 <span class="s">}</span> 1367 1368 <span class="k">if</span> <span class="s">(</span><span class="k">-d</span> <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="s">)</span> <span class="s">{</span> 1369 <span class="c"># Change local code base direcrory name to a relative directory name based on the</span> 1370 <span class="c"># current directory containing SD file; otherwise, Java applets and JavaScripts don't</span> 1371 <span class="c"># get loaded into Firefox and Chrome browsers.</span> 1372 <span class="c">#</span> 1373 <span class="c"># For top and sub HTML directories, add prefix "../" and "../../" to relative path...</span> 1374 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>} = <span class="w">File::Spec</span><span class="w">->abs2rel</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="cm">,</span> <span class="i">Cwd::cwd</span><span class="s">(</span><span class="s">)</span><span class="s">)</span><span class="sc">;</span> 1375 1376 <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerCodeBase</span>} = <span class="q">"../"</span> . <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="sc">;</span> 1377 <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerCodeBase</span>} = <span class="q">"../../"</span> . <span class="i">$OptionsInfo</span>{<span class="w">StrViewerCodeBase</span>}<span class="sc">;</span> 1378 <span class="s">}</span> 1379 1380 <span class="c"># Setup structure viewer parameter information...</span> 1381 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1382 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewerparams</span>}<span class="s">)</span> <span class="s">{</span> 1383 <span class="k">my</span><span class="s">(</span><span class="i">@ParamsSplit</span><span class="cm">,</span> <span class="i">@ParamPairSplit</span><span class="cm">,</span> <span class="i">$ParamPair</span><span class="s">)</span><span class="sc">;</span> 1384 <span class="c">#@ParamsSplit = split " ", $Options{strviewerparams};</span> 1385 <span class="i">@ParamsSplit</span> = <span class="i">quotewords</span><span class="s">(</span><span class="q">" "</span><span class="cm">,</span> <span class="n">0</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">strviewerparams</span>}<span class="s">)</span><span class="sc">;</span> 1386 <span class="k">for</span> <span class="i">$ParamPair</span> <span class="s">(</span><span class="i">@ParamsSplit</span><span class="s">)</span> <span class="s">{</span> 1387 <span class="i">@ParamPairSplit</span> = <span class="k">split</span> <span class="q">"="</span><span class="cm">,</span> <span class="i">$ParamPair</span><span class="sc">;</span> 1388 <span class="k">if</span> <span class="s">(</span><span class="i">@ParamPairSplit</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1389 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="i">$ParamPairSplit</span>[<span class="n">0</span>]} = <span class="i">$ParamPairSplit</span>[<span class="n">1</span>]<span class="sc">;</span> 1390 <span class="s">}</span> 1391 <span class="k">else</span> <span class="s">{</span> 1392 <span class="k">die</span> <span class="q">"Error: Invalid value, $ParamPair, specified by \"--strviewerparams\" option.\nValid values: name=value\n"</span><span class="sc">;</span> 1393 <span class="s">}</span> 1394 <span class="s">}</span> 1395 <span class="s">}</span> 1396 1397 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(JME|Jmol|MarvinView)$/i</span> <span class="s">)</span> <span class="s">{</span> 1398 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">name</span>} = <span class="i">$StrViewerAppletCode</span><span class="sc">;</span> 1399 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">archive</span>} = <span class="i">$StrViewerAppletArchive</span><span class="sc">;</span> 1400 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">code</span>} = <span class="i">$StrViewerAppletCode</span><span class="sc">;</span> 1401 <span class="s">}</span> 1402 <span class="i">$OptionsInfo</span>{<span class="w">StrWidth</span>} = <span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">width</span>}<span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">width</span>} <span class="co">:</span> <span class="n">250</span><span class="sc">;</span> 1403 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">width</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrWidth</span>}<span class="sc">;</span> 1404 <span class="i">$OptionsInfo</span>{<span class="w">StrHeight</span>} = <span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">height</span>}<span class="s">)</span> ? <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">height</span>} <span class="co">:</span> <span class="n">170</span><span class="sc">;</span> 1405 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">height</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrHeight</span>}<span class="sc">;</span> 1406 1407 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkWidth</span>} = <span class="n">500</span><span class="sc">;</span> 1408 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkwidth</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1409 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkWidth</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkwidth</span>}<span class="sc">;</span> 1410 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkwidth</span>} = <span class="q">""</span><span class="sc">;</span> 1411 <span class="s">}</span> 1412 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkHeight</span>} = <span class="n">295</span><span class="sc">;</span> 1413 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkheight</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1414 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkHeight</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkheight</span>}<span class="sc">;</span> 1415 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkheight</span>} = <span class="q">""</span><span class="sc">;</span> 1416 <span class="s">}</span> 1417 1418 <span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>} = <span class="q">""</span><span class="sc">;</span> 1419 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1420 <span class="i">$OptionsInfo</span>{<span class="w">StrBgColorSpecified</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">bgcolor</span>}<span class="sc">;</span> 1421 <span class="s">}</span> 1422 1423 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkBgColorSpecified</span>} = <span class="q">"#ffffff"</span><span class="sc">;</span> 1424 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkbgcolor</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1425 <span class="i">$OptionsInfo</span>{<span class="w">StrLinkBgColorSpecified</span>} = <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkbgcolor</span>}<span class="sc">;</span> 1426 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">strlinkbgcolor</span>} = <span class="q">""</span><span class="sc">;</span> 1427 <span class="s">}</span> 1428 1429 <span class="c"># Setup Java Script usage...</span> 1430 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerJSFileRef</span>} = <span class="q">""</span><span class="sc">;</span> 1431 <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerJSFileRef</span>} = <span class="q">""</span><span class="sc">;</span> 1432 <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerJSFileRef</span>} = <span class="q">""</span><span class="sc">;</span> 1433 1434 <span class="k">if</span> <span class="s">(</span><span class="i">$StrViewerEmbedUsingJS</span><span class="s">)</span> <span class="s">{</span> 1435 <span class="k">my</span> <span class="s">(</span><span class="i">$StrViewerJSFileName</span><span class="s">)</span> = <span class="q">""</span><span class="sc">;</span> 1436 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewerjsfile</span>}<span class="s">)</span> <span class="s">{</span> 1437 <span class="i">$StrViewerJSFileName</span> = <span class="i">$Options</span>{<span class="w">strviewerjsfile</span>}<span class="sc">;</span> 1438 <span class="s">}</span> 1439 <span class="k">else</span> <span class="s">{</span> 1440 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^Jmol$/i</span><span class="s">)</span> <span class="s">{</span> 1441 <span class="i">$StrViewerJSFileName</span> = <span class="q">"Jmol.js"</span><span class="sc">;</span> 1442 <span class="s">}</span> 1443 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^MarvinView$/i</span><span class="s">)</span> <span class="s">{</span> 1444 <span class="i">$StrViewerJSFileName</span> = <span class="q">"marvin.js"</span><span class="sc">;</span> 1445 <span class="s">}</span> 1446 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(ChemDrawPlugIn|ChemDrawActiveX)$/i</span><span class="s">)</span> <span class="s">{</span> 1447 <span class="i">$StrViewerJSFileName</span> = <span class="q">"chemdraw.js"</span><span class="sc">;</span> 1448 <span class="s">}</span> 1449 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^Chem3DActiveX$/i</span><span class="s">)</span> <span class="s">{</span> 1450 <span class="i">$StrViewerJSFileName</span> = <span class="q">"chem3d.js"</span><span class="sc">;</span> 1451 <span class="s">}</span> 1452 <span class="s">}</span> 1453 <span class="k">if</span> <span class="s">(</span><span class="i">$StrViewerJSFileName</span><span class="s">)</span> <span class="s">{</span> 1454 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerParams</span>}{<span class="w">usejavascript</span>} = <span class="i">$StrViewerJSFileName</span><span class="sc">;</span> 1455 <span class="i">$OptionsInfo</span>{<span class="w">StrViewerJSFileRef</span>} = <span class="q">"$OptionsInfo{StrViewerCodeBase}"</span> . <span class="q">"\/"</span> . <span class="q">"$StrViewerJSFileName"</span><span class="sc">;</span> 1456 <span class="i">$OptionsInfo</span>{<span class="w">TopHTMLDirStrViewerJSFileRef</span>} = <span class="q">"$OptionsInfo{TopHTMLDirStrViewerCodeBase}"</span> . <span class="q">"\/"</span> . <span class="q">"$StrViewerJSFileName"</span><span class="sc">;</span> 1457 <span class="i">$OptionsInfo</span>{<span class="w">SubHTMLDirStrViewerJSFileRef</span>} = <span class="q">"$OptionsInfo{SubHTMLDirStrViewerCodeBase}"</span> . <span class="q">"\/"</span> . <span class="q">"$StrViewerJSFileName"</span><span class="sc">;</span> 1458 <span class="s">}</span> 1459 <span class="s">}</span> 1460 1461 <span class="c"># Check any other user specified parametrs applicable to all structure viewers...</span> 1462 1463 <span class="i">$OptionsInfo</span>{<span class="w">StructuresOnlyMode</span>} = <span class="n">0</span><span class="sc">;</span> 1464 <span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">structure</span>} =~ <span class="q">/^display$/i</span><span class="s">)</span> ? <span class="n">15</span> <span class="co">:</span> <span class="n">50</span><span class="sc">;</span> 1465 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$Options</span>{<span class="w">numcmpds</span>}<span class="s">)</span> <span class="s">{</span> 1466 <span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>} = <span class="i">$Options</span>{<span class="w">numcmpds</span>}<span class="sc">;</span> 1467 <span class="s">}</span> 1468 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(structuresonly|shadedstructuresonly)$/i</span><span class="s">)</span> <span class="s">{</span> 1469 <span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>} = <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>} > <span class="n">0</span><span class="s">)</span> ? <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrTableRows</span>} * <span class="i">$OptionsInfo</span>{<span class="w">StrTableCols</span>}<span class="s">)</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1470 <span class="i">$OptionsInfo</span>{<span class="w">StructuresOnlyMode</span>} = <span class="n">1</span><span class="sc">;</span> 1471 <span class="s">}</span> 1472 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>} = <span class="q">""</span><span class="sc">;</span> 1473 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} = <span class="q">"no"</span><span class="sc">;</span> 1474 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} = <span class="q">"bottom"</span><span class="sc">;</span> 1475 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldAlignment</span>} = <span class="q">"center"</span><span class="sc">;</span> 1476 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">cmpddatafield</span>}<span class="s">)</span> && <span class="k">length</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">cmpddatafield</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1477 <span class="k">my</span> <span class="s">(</span><span class="i">@CmpdDataFieldValues</span><span class="s">)</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">cmpddatafield</span>}<span class="sc">;</span> 1478 <span class="k">if</span> <span class="s">(</span><span class="i">@CmpdDataFieldValues</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 1479 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1480 <span class="s">}</span> 1481 <span class="k">elsif</span> <span class="s">(</span><span class="i">@CmpdDataFieldValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1482 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1483 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1484 <span class="s">}</span> 1485 <span class="k">elsif</span> <span class="s">(</span><span class="i">@CmpdDataFieldValues</span> == <span class="n">3</span><span class="s">)</span> <span class="s">{</span> 1486 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1487 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1488 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">2</span>]<span class="sc">;</span> 1489 <span class="s">}</span> 1490 <span class="k">elsif</span> <span class="s">(</span><span class="i">@CmpdDataFieldValues</span> == <span class="n">4</span><span class="s">)</span> <span class="s">{</span> 1491 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataField</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1492 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1493 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">2</span>]<span class="sc">;</span> 1494 <span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldAlignment</span>} = <span class="i">$CmpdDataFieldValues</span>[<span class="n">3</span>]<span class="sc">;</span> 1495 <span class="s">}</span> 1496 <span class="k">else</span> <span class="s">{</span> 1497 <span class="k">die</span> <span class="q">"Error: Invalid number of values, "</span><span class="cm">,</span> <span class="k">scalar</span><span class="s">(</span><span class="i">@CmpdDataFieldValues</span><span class="s">)</span> <span class="cm">,</span> <span class="q">", specified by \"--cmpddatafield\" option.\nIt must contain only one, two, three, or four values.\n"</span><span class="sc">;</span> 1498 <span class="s">}</span> 1499 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldLabel</span>} !~ <span class="q">/^(yes|no)$/</span> <span class="s">)</span> <span class="s">{</span> 1500 <span class="k">die</span> <span class="q">"Error: The label value specified, $Options{cmpddatafield}, for option \"--cmpddatafield\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> 1501 <span class="s">}</span> 1502 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldPosition</span>} !~ <span class="q">/^(top|bottom)$/</span> <span class="s">)</span> <span class="s">{</span> 1503 <span class="k">die</span> <span class="q">"Error: The position value specified, $Options{cmpddatafield}, for option \"--cmpddatafield\" is not valid. Allowed values: top or bottom\n"</span><span class="sc">;</span> 1504 <span class="s">}</span> 1505 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CmpdDataFieldAlignment</span>} !~ <span class="q">/^(left|center|right)$/</span> <span class="s">)</span> <span class="s">{</span> 1506 <span class="k">die</span> <span class="q">"Error: The alignment value specified, $Options{cmpddatafield}, for option \"--cmpddatafield\" is not valid. Allowed values: left, center, or right\n"</span><span class="sc">;</span> 1507 <span class="s">}</span> 1508 <span class="s">}</span> 1509 1510 <span class="c"># Process data fields to be displayed in tables...</span> 1511 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFields</span>} = <span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">datafields</span>}<span class="s">)</span> ? <span class="i">$Options</span>{<span class="w">datafields</span>} <span class="co">:</span> <span class="q">"All"</span><span class="sc">;</span> 1512 1513 <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} = <span class="q">""</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>} = <span class="q">""</span><span class="sc">;</span> <span class="i">$OptionsInfo</span>{<span class="w">HighlightStatus</span>} = <span class="n">0</span><span class="sc">;</span> 1514 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(highlight|shadedhighlight)$/i</span><span class="s">)</span> <span class="s">{</span> 1515 <span class="k">my</span><span class="s">(</span><span class="i">$HighlightMode</span><span class="cm">,</span> <span class="i">$HighlightBy</span><span class="s">)</span><span class="sc">;</span> 1516 <span class="i">$HighlightMode</span> = <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span> <span class="i">$HighlightBy</span> = <span class="i">$Options</span>{<span class="w">highlightby</span>}<span class="sc">;</span> 1517 1518 <span class="i">$OptionsInfo</span>{<span class="w">HighlightStatus</span>} = <span class="n">1</span><span class="sc">;</span> 1519 <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} = <span class="q">"#0fff0f"</span><span class="sc">;</span> 1520 <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>} = <span class="q">"#ff0f0f"</span><span class="sc">;</span> 1521 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">highlightstyle</span>} =~ <span class="q">/^text$/i</span><span class="s">)</span> <span class="s">{</span> 1522 <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} = <span class="q">"#0fbb0f"</span><span class="sc">;</span> 1523 <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>} = <span class="q">"#ff0f0f"</span><span class="sc">;</span> 1524 <span class="s">}</span> 1525 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">highlightcolor</span>}<span class="s">)</span> <span class="s">{</span> 1526 <span class="c"># Make sure two values are specified...</span> 1527 <span class="i">@ColorValues</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">highlightcolor</span>}<span class="sc">;</span> 1528 <span class="k">if</span> <span class="s">(</span><span class="i">@ColorValues</span> == <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 1529 <span class="i">$OptionsInfo</span>{<span class="w">ValueOkColor</span>} = <span class="i">$ColorValues</span>[<span class="n">0</span>]<span class="sc">;</span> 1530 <span class="i">$OptionsInfo</span>{<span class="w">ValueNotOkColor</span>} = <span class="i">$ColorValues</span>[<span class="n">1</span>]<span class="sc">;</span> 1531 <span class="s">}</span> 1532 <span class="k">else</span> <span class="s">{</span> 1533 <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">@ColorValues</span><span class="s">)</span><span class="cm">,</span> <span class="q">", specified by \"--highlightcolor\" option.\nIt must contain only two value for $HighlightMode value specified using \"-m --mode\" option.\n"</span><span class="sc">;</span> 1534 <span class="s">}</span> 1535 <span class="s">}</span> 1536 <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">highlight</span>}<span class="s">)</span> <span class="s">{</span> 1537 <span class="k">die</span> <span class="q">"Error: Specify columns to be highlighted using \"--hightlight\" option\n"</span><span class="sc">;</span> 1538 <span class="s">}</span> 1539 <span class="c"># Retrieve quartet values from "hightlight" option...</span> 1540 <span class="k">my</span><span class="s">(</span><span class="i">@HighlightValueQuartets</span><span class="s">)</span><span class="sc">;</span> 1541 1542 <span class="i">@HighlightValueQuartets</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1543 <span class="i">@HighlightValueQuartets</span> = <span class="k">split</span> <span class="q">","</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">highlight</span>}<span class="sc">;</span> 1544 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@HighlightValueQuartets</span> % <span class="n">4</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1545 <span class="k">die</span> <span class="q">"Error: Quartets not found in values specified using \"--highlight\" option for $HighlightMode \"-m --mode\"\n"</span><span class="sc">;</span> 1546 <span class="s">}</span> 1547 <span class="c"># Process quartets...</span> 1548 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Label</span><span class="cm">,</span> <span class="i">$DataType</span><span class="cm">,</span> <span class="i">$Criterion</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 1549 1550 <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1551 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabelsMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1552 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldTypesMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1553 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldCriteriaMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1554 <span class="i">%</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldValueMap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1555 1556 <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> < <span class="i">@HighlightValueQuartets</span><span class="sc">;</span> <span class="i">$Index</span> = <span class="i">$Index</span> + <span class="n">4</span><span class="s">)</span> <span class="s">{</span> 1557 <span class="i">$Label</span> = <span class="i">$HighlightValueQuartets</span>[<span class="i">$Index</span>]<span class="sc">;</span> 1558 <span class="i">$DataType</span> = <span class="i">$HighlightValueQuartets</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span> 1559 <span class="i">$Criterion</span> = <span class="i">$HighlightValueQuartets</span>[<span class="i">$Index</span> + <span class="n">2</span>]<span class="sc">;</span> 1560 <span class="i">$Value</span> = <span class="i">$HighlightValueQuartets</span>[<span class="i">$Index</span> + <span class="n">3</span>]<span class="sc">;</span> 1561 <span class="k">if</span> <span class="s">(</span><span class="i">$DataType</span> !~ <span class="q">/^(numeric|text)$/i</span><span class="s">)</span> <span class="s">{</span> 1562 <span class="k">die</span> <span class="q">"Error: Invalid column data type, $DataType, specified in quartet, \"$Label,$DataType,$Criterion,$Value\", using \"--hightlight\" option: Valid values: numeric or text\n"</span><span class="sc">;</span> 1563 <span class="s">}</span> 1564 <span class="k">if</span> <span class="s">(</span><span class="i">$Criterion</span> !~ <span class="q">/^(eq|le|ge)$/i</span><span class="s">)</span> <span class="s">{</span> 1565 <span class="k">die</span> <span class="q">"Error: Invalid criterion value, $Criterion, specified in quartet, \"$Label,$DataType,$Criterion,$Value\", using \"--hightlight\" option: Valid values: le, ge, or eq\n"</span><span class="sc">;</span> 1566 <span class="s">}</span> 1567 <span class="k">if</span> <span class="s">(</span><span class="i">$DataType</span> =~ <span class="q">/^numeric$/i</span><span class="s">)</span> <span class="s">{</span> 1568 <span class="k">if</span> <span class="s">(</span>!<span class="i">IsFloat</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1569 <span class="k">die</span> <span class="q">"Error: Invalid criterion value, $Value, specified in quartet, \"$Label,$DataType,$Criterion,$Value\", using \"--hightlight\" option: Numeric value required for numeric data type\n"</span><span class="sc">;</span> 1570 <span class="s">}</span> 1571 <span class="s">}</span> 1572 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabelsMap</span>}{<span class="i">$Label</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1573 <span class="k">die</span> <span class="q">"Error: Invalid field label value, $Label, in quartet, \"$Label,$DataType,$Criterion,$Value\", using \"--hightlight\" option: Multiple occurences of label. \n"</span><span class="sc">;</span> 1574 <span class="s">}</span> 1575 <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabels</span>}}<span class="cm">,</span> <span class="i">$Label</span><span class="sc">;</span> 1576 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldLabelsMap</span>}{<span class="i">$Label</span>} = <span class="i">$Label</span><span class="sc">;</span> 1577 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldTypesMap</span>}{<span class="i">$Label</span>} = <span class="i">$DataType</span><span class="sc">;</span> 1578 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldCriteriaMap</span>}{<span class="i">$Label</span>} = <span class="i">$Criterion</span><span class="sc">;</span> 1579 <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedHighlightDataFieldValueMap</span>}{<span class="i">$Label</span>} = <span class="i">$Value</span><span class="sc">;</span> 1580 <span class="s">}</span> 1581 <span class="s">}</span> 1582 <span class="s">}</span> 1583 1584 <span class="c"># Set up default archive and code values for a specific applet...</span> <a name="SetupDefaultAppletArchiveAndCode-"></a>1585 <span class="k">sub </span><span class="m">SetupDefaultAppletArchiveAndCode</span> <span class="s">{</span> 1586 <span class="k">my</span><span class="s">(</span><span class="i">$ViewerType</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1587 <span class="k">my</span><span class="s">(</span><span class="i">$Archive</span><span class="cm">,</span> <span class="i">$Code</span><span class="cm">,</span> <span class="i">$Nothing</span><span class="s">)</span><span class="sc">;</span> 1588 1589 <span class="j">STRVIEWERTYPE:</span> <span class="s">{</span> 1590 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^JME$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$Archive</span> = <span class="q">"JME.jar"</span><span class="sc">;</span> <span class="i">$Code</span> = <span class="q">"JME"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 1591 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^Jmol$/i</span><span class="s">)</span> <span class="s">{</span><span class="i">$Archive</span> = <span class="q">"JmolApplet.jar"</span><span class="sc">;</span> <span class="i">$Code</span> = <span class="q">"JmolApplet"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 1592 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^MarvinView$/i</span><span class="s">)</span> <span class="s">{</span> <span class="i">$Archive</span> = <span class="q">"marvin.jar"</span><span class="sc">;</span> <span class="i">$Code</span> = <span class="q">"MView"</span><span class="sc">;</span> <span class="k">last</span> <span class="j">STRVIEWERTYPE</span><span class="sc">;</span> <span class="s">}</span> 1593 <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span> 1594 <span class="s">}</span> 1595 <span class="k">return</span> <span class="s">(</span><span class="i">$Archive</span><span class="cm">,</span> <span class="i">$Code</span><span class="s">)</span><span class="sc">;</span> 1596 <span class="s">}</span> 1597 1598 <span class="c"># Retrieve information about input SD files...</span> <a name="RetrieveSDFilesInfo-"></a>1599 <span class="k">sub </span><span class="m">RetrieveSDFilesInfo</span> <span class="s">{</span> 1600 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$HTMLFile</span><span class="cm">,</span> <span class="i">$CSSFile</span><span class="cm">,</span> <span class="i">$HTMLRoot</span><span class="cm">,</span> <span class="i">$HTMLTitle</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$TopHTMLDir</span><span class="s">)</span><span class="sc">;</span> 1601 1602 <span class="i">%SDFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1603 1604 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1605 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1606 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1607 1608 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1609 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1610 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1611 1612 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TopHTMLDir</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1613 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SubHTMLDir</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1614 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SubMolDir</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1615 1616 1617 <span class="j">FILELIST:</span> <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SDFilesList</span><span class="s">)</span> <span class="s">{</span> 1618 <span class="i">$SDFile</span> = <span class="i">$SDFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span> 1619 1620 <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> 1621 <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> 1622 <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> 1623 <span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> 1624 <span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> 1625 <span class="i">$SDFilesInfo</span>{<span class="w">TopHTMLDir</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> 1626 <span class="i">$SDFilesInfo</span>{<span class="w">SubHTMLDir</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> 1627 <span class="i">$SDFilesInfo</span>{<span class="w">SubMolDir</span>}[<span class="i">$Index</span>] = <span class="q">""</span><span class="sc">;</span> 1628 1629 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1630 1631 <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> 1632 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It doesn't exist\n"</span><span class="sc">;</span> 1633 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> 1634 <span class="s">}</span> 1635 <span class="k">if</span> <span class="s">(</span>!<span class="i">CheckFileType</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="q">"sd sdf"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1636 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: It's not a SD file\n"</span><span class="sc">;</span> 1637 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> 1638 <span class="s">}</span> 1639 <span class="s">(</span><span class="i">$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">$SDFile</span><span class="s">)</span><span class="sc">;</span> 1640 1641 <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span> 1642 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: Couldn't open it: $! \n"</span><span class="sc">;</span> 1643 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> 1644 <span class="s">}</span> 1645 <span class="c"># Count number of compounds and collect all possible data field labels...</span> 1646 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">@CommonDataFieldLabels</span><span class="s">)</span><span class="sc">;</span> 1647 <span class="i">$CmpdCount</span> = <span class="n">0</span><span class="sc">;</span> 1648 <span class="i">@DataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1649 <span class="i">@CommonDataFieldLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1650 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFields</span>} =~ <span class="q">/^(All|Common)$/i</span> <span class="s">)</span> <span class="s">{</span> 1651 <span class="k">my</span><span class="s">(</span><span class="i">$DataFieldLabelsRef</span><span class="cm">,</span> <span class="i">$CommonDataFieldLabelsRef</span><span class="s">)</span><span class="sc">;</span> 1652 <span class="s">(</span><span class="i">$CmpdCount</span><span class="cm">,</span> <span class="i">$DataFieldLabelsRef</span><span class="cm">,</span> <span class="i">$CommonDataFieldLabelsRef</span><span class="s">)</span> = <span class="i">GetAllAndCommonCmpdDataHeaderLabels</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="sc">;</span> 1653 <span class="k">push</span> <span class="i">@DataFieldLabels</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$DataFieldLabelsRef</span>}<span class="sc">;</span> 1654 <span class="k">push</span> <span class="i">@CommonDataFieldLabels</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$CommonDataFieldLabelsRef</span>}<span class="sc">;</span> 1655 <span class="s">}</span> 1656 <span class="k">else</span> <span class="s">{</span> 1657 <span class="k">while</span> <span class="s">(</span><span class="i">$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> 1658 <span class="i">$CmpdCount</span>++<span class="sc">;</span> 1659 <span class="s">}</span> 1660 <span class="s">}</span> 1661 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> 1662 1663 <span class="i">$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> 1664 <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> 1665 <span class="i">$HTMLRoot</span> = <span class="i">$FileName</span><span class="sc">;</span> 1666 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">root</span>} && <span class="s">(</span><span class="i">@SDFilesList</span> == <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1667 <span class="k">my</span> <span class="s">(</span><span class="i">$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">$Options</span>{<span class="w">root</span>}<span class="s">)</span><span class="sc">;</span> 1668 <span class="k">if</span> <span class="s">(</span><span class="i">$RootFileName</span> && <span class="i">$RootFileExt</span><span class="s">)</span> <span class="s">{</span> 1669 <span class="i">$HTMLRoot</span> = <span class="i">$RootFileName</span><span class="sc">;</span> 1670 <span class="s">}</span> 1671 <span class="k">else</span> <span class="s">{</span> 1672 <span class="i">$HTMLRoot</span> = <span class="i">$Options</span>{<span class="w">root</span>}<span class="sc">;</span> 1673 <span class="s">}</span> 1674 <span class="s">}</span> 1675 <span class="i">$HTMLTitle</span> = <span class="i">$HTMLRoot</span><span class="sc">;</span> 1676 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">title</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> 1677 <span class="i">$HTMLTitle</span> = <span class="i">$Options</span>{<span class="w">title</span>}<span class="sc">;</span> 1678 <span class="s">}</span> 1679 <span class="i">$HTMLFile</span> = <span class="k">lc</span><span class="s">(</span><span class="i">$HTMLRoot</span><span class="s">)</span> . <span class="q">"-html"</span><span class="sc">;</span> 1680 <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">overwrite</span>}<span class="s">)</span> <span class="s">{</span> 1681 <span class="k">if</span> <span class="s">(</span><span class="k">-d</span> <span class="i">$HTMLFile</span><span class="s">)</span> <span class="s">{</span> 1682 <span class="k">warn</span> <span class="q">"Warning: Ignoring file $SDFile: The directory $HTMLFile already exists\n"</span><span class="sc">;</span> 1683 <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span> 1684 <span class="s">}</span> 1685 <span class="s">}</span> 1686 <span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span> 1687 <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>] = <span class="i">$CmpdCount</span><span class="sc">;</span> 1688 <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] = <span class="q">"$HTMLRoot"</span><span class="sc">;</span> 1689 <span class="i">$SDFilesInfo</span>{<span class="w">HTMLTitle</span>}[<span class="i">$Index</span>] = <span class="q">"$HTMLTitle"</span><span class="sc">;</span> 1690 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>} == <span class="n">0</span> || <span class="i">$CmpdCount</span> <= <span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>}<span class="s">)</span> <span class="s">{</span> 1691 <span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span> 1692 <span class="s">}</span> 1693 <span class="k">else</span> <span class="s">{</span> 1694 <span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span> 1695 <span class="s">}</span> 1696 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFields</span>} =~ <span class="q">/^All$/i</span> <span class="s">)</span> <span class="s">{</span> 1697 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@DataFieldLabels</span><span class="sc">;</span> 1698 <span class="s">}</span> 1699 <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFields</span>} =~ <span class="q">/^Common$/i</span><span class="s">)</span> <span class="s">{</span> 1700 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@CommonDataFieldLabels</span><span class="sc">;</span> 1701 <span class="s">}</span> 1702 <span class="k">else</span> <span class="s">{</span> 1703 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">SpecifiedDataFieldLabels</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="k">split</span><span class="s">(</span><span class="q">","</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedDataFields</span>}<span class="s">)</span><span class="sc">;</span> 1704 <span class="s">}</span> 1705 1706 <span class="c"># Setup HTML data directories paths...</span> 1707 <span class="i">$TopHTMLDir</span> = <span class="k">lc</span><span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>]<span class="s">)</span> . <span class="q">"-html"</span><span class="sc">;</span> 1708 <span class="i">$SDFilesInfo</span>{<span class="w">TopHTMLDir</span>}[<span class="i">$Index</span>] = <span class="q">"$TopHTMLDir"</span><span class="sc">;</span> 1709 <span class="i">$SDFilesInfo</span>{<span class="w">SubHTMLDir</span>}[<span class="i">$Index</span>] = <span class="q">"$TopHTMLDir\/html"</span><span class="sc">;</span> 1710 <span class="i">$SDFilesInfo</span>{<span class="w">SubMolDir</span>}[<span class="i">$Index</span>] = <span class="q">"$TopHTMLDir\/mol"</span><span class="sc">;</span> 1711 <span class="s">}</span> 1712 <span class="s">}</span> 1713 1714 <span class="c"># Setup information...</span> <a name="SetupMultipleTablesAndMiscInfo-"></a>1715 <span class="k">sub </span><span class="m">SetupMultipleTablesAndMiscInfo</span> <span class="s">{</span> 1716 <span class="i">SetupMultipleTablesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1717 <span class="i">SetupMiscInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1718 <span class="s">}</span> 1719 1720 <span class="c"># Setup navigation link information for multiple tables...</span> <a name="SetupMultipleTablesInfo-"></a>1721 <span class="k">sub </span><span class="m">SetupMultipleTablesInfo</span> <span class="s">{</span> 1722 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$LinesPerTable</span><span class="s">)</span><span class="sc">;</span> 1723 1724 <span class="i">$LinesPerTable</span> = <span class="i">$OptionsInfo</span>{<span class="w">MaxCmpdsPerTable</span>}<span class="sc">;</span> 1725 1726 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1727 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1728 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1729 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1730 1731 <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> 1732 <span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span> 1733 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1734 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1735 <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1736 1737 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">FileOkay</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> 1738 <span class="k">if</span> <span class="s">(</span><span class="i">$SDFilesInfo</span>{<span class="w">MultipleHTMLTables</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span> 1739 <span class="k">my</span><span class="s">(</span><span class="i">$TableIndex</span><span class="cm">,</span> <span class="i">$TotalLines</span><span class="cm">,</span> <span class="i">$TableCount</span><span class="cm">,</span> <span class="i">$TableStartLineNum</span><span class="cm">,</span> <span class="i">$TableEndLineNum</span><span class="cm">,</span> <span class="i">$Name</span><span class="s">)</span><span class="sc">;</span> 1740 1741 <span class="i">$TotalLines</span> = <span class="i">$SDFilesInfo</span>{<span class="w">CmpdCount</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 1742 <span class="i">$TableCount</span> = <span class="s">(</span><span class="i">$TotalLines</span> % <span class="i">$LinesPerTable</span><span class="s">)</span> ? <span class="s">(</span><span class="k">int</span><span class="s">(</span><span class="i">$TotalLines</span>/<span class="i">$LinesPerTable</span><span class="s">)</span> + <span class="n">1</span><span class="s">)</span> <span class="co">:</span> <span class="s">(</span><span class="i">$TotalLines</span>/<span class="i">$LinesPerTable</span><span class="s">)</span><span class="sc">;</span> 1743 <span class="i">$SDFilesInfo</span>{<span class="w">TableCount</span>}[<span class="i">$Index</span>] = <span class="i">$TableCount</span><span class="sc">;</span> 1744 <span class="k">for</span> <span class="i">$TableIndex</span> <span class="s">(</span><span class="n">1</span> .. <span class="i">$TableCount</span><span class="s">)</span> <span class="s">{</span> 1745 <span class="i">$TableStartLineNum</span> = <span class="s">(</span><span class="i">$TableIndex</span> - <span class="n">1</span><span class="s">)</span> * <span class="i">$LinesPerTable</span> + <span class="n">1</span><span class="sc">;</span> 1746 <span class="i">$TableEndLineNum</span> = <span class="s">(</span><span class="i">$TableIndex</span> == <span class="i">$TableCount</span><span class="s">)</span> ? <span class="i">$TotalLines</span> <span class="co">:</span> <span class="s">(</span><span class="i">$TableIndex</span> * <span class="i">$LinesPerTable</span><span class="s">)</span><span class="sc">;</span> 1747 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableStartCmpdNum</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">$TableStartLineNum</span><span class="sc">;</span> 1748 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableEndCmpdNum</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">$TableEndLineNum</span><span class="sc">;</span> 1749 1750 <span class="c"># Setup HTML file names for all the tables...</span> 1751 <span class="i">$Name</span> = <span class="q">"Cmpd"</span> . <span class="q">"$TableStartLineNum"</span> . <span class="q">"To"</span> . <span class="q">"$TableEndLineNum"</span><span class="sc">;</span> 1752 <span class="k">if</span> <span class="s">(</span><span class="i">$TableIndex</span> == <span class="n">1</span><span class="s">)</span> <span class="s">{</span> 1753 <span class="i">$Name</span> = <span class="q">""</span><span class="sc">;</span> 1754 <span class="s">}</span> 1755 <span class="i">$Name</span> = <span class="i">$SDFilesInfo</span>{<span class="w">HTMLRoot</span>}[<span class="i">$Index</span>] . <span class="i">$Name</span> . <span class="q">".html"</span><span class="sc">;</span> 1756 <span class="k">push</span> <span class="i">@</span>{<span class="i">$SDFilesInfo</span>{<span class="w">TableHTMLFiles</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">$Name</span><span class="sc">;</span> 1757 <span class="s">}</span> 1758 <span class="c">#print "$SDFilesList[$Index]: $TableCount - @{$SDFilesInfo{TableStartCmpdNum}[$Index]} - @{$SDFilesInfo{TableEndCmpdNum}[$Index]} - @{$SDFilesInfo{TableHTMLFiles}[$Index]}\n";</span> 1759 <span class="s">}</span> 1760 <span class="s">}</span> 1761 <span class="s">}</span> 1762 <span class="s">}</span> 1763 1764 <span class="c"># Setup HTML tags and other information...</span> <a name="SetupMiscInfo-"></a>1765 <span class="k">sub </span><span class="m">SetupMiscInfo</span> <span class="s">{</span> 1766 <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>} = <span class="q">""</span><span class="sc">;</span> 1767 <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>} = <span class="q">""</span><span class="sc">;</span> 1768 <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledOddRowHeaderTags</span>} = <span class="q">""</span><span class="sc">;</span> 1769 <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledEvenRowHeaderTags</span>} = <span class="q">""</span><span class="sc">;</span> 1770 <span class="i">$SDFilesInfo</span>{<span class="w">TableRowHeaderTags</span>} = <span class="q">""</span><span class="sc">;</span> 1771 1772 <span class="i">$SDFilesInfo</span>{<span class="w">RowHeaderTags</span>} = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>}<span class="cm">,</span> <span class="q">""</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>}<span class="s">)</span><span class="sc">;</span> 1773 <span class="i">$SDFilesInfo</span>{<span class="w">RowEndTags</span>} = <span class="i">SetupHTMLTableRowEnd</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1774 1775 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ShadeRowsStatus</span>}<span class="s">)</span> <span class="s">{</span> 1776 <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledOddRowHeaderTags</span>} = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OddRowsShadeColor</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>}<span class="s">)</span><span class="sc">;</span> 1777 <span class="i">$SDFilesInfo</span>{<span class="w">BgFilledEvenRowHeaderTags</span>} = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RowHAlignment</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">EvenRowsShadeColor</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">RowVAlignment</span>}<span class="s">)</span><span class="sc">;</span> 1778 <span class="s">}</span> 1779 1780 <span class="i">$SDFilesInfo</span>{<span class="w">TableRowHeaderTags</span>} = <span class="i">SetupHTMLTableRowHeader</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowHAlignment</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowColor</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">TableHeaderRowVAlignment</span>}<span class="s">)</span><span class="sc">;</span> 1781 1782 <span class="i">$SDFilesInfo</span>{<span class="w">MolEndTag</span>} = <span class="q">"M END"</span><span class="sc">;</span> 1783 <span class="i">$SDFilesInfo</span>{<span class="w">White</span>} = <span class="q">qq(#ffffff)</span><span class="sc">;</span> 1784 <span class="s">}</span> 1785 1786 <span class="c"># Setup various data directories to hold HTML and other related files...</span> <a name="SetupDataDirs-"></a>1787 <span class="k">sub </span><span class="m">SetupDataDirs</span> <span class="s">{</span> 1788 <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1789 <span class="k">my</span><span class="s">(</span><span class="i">$TopHTMLDir</span><span class="cm">,</span> <span class="i">$SubHTMLDir</span><span class="cm">,</span> <span class="i">$SubMolDir</span><span class="cm">,</span> <span class="i">$CreateTopHTMLDir</span><span class="cm">,</span> <span class="i">$CreateSubHTMLDir</span><span class="cm">,</span> <span class="i">$CreateSubMolDir</span><span class="s">)</span><span class="sc">;</span> 1790 1791 <span class="i">$TopHTMLDir</span> = <span class="i">$SDFilesInfo</span>{<span class="w">TopHTMLDir</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 1792 <span class="i">$SubHTMLDir</span> = <span class="i">$SDFilesInfo</span>{<span class="w">SubHTMLDir</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 1793 <span class="i">$SubMolDir</span> = <span class="i">$SDFilesInfo</span>{<span class="w">SubMolDir</span>}[<span class="i">$Index</span>]<span class="sc">;</span> 1794 1795 <span class="c"># Clean up existing directories...</span> 1796 <span class="k">if</span> <span class="s">(</span><span class="k">-d</span> <span class="i">$TopHTMLDir</span><span class="s">)</span> <span class="s">{</span> 1797 <span class="k">unlink</span> <span class="q">"<$TopHTMLDir/*.html>"</span><span class="sc">;</span> 1798 <span class="k">unlink</span> <span class="q">"<$TopHTMLDir/*.css>"</span><span class="sc">;</span> 1799 <span class="s">}</span> 1800 <span class="k">if</span> <span class="s">(</span><span class="k">-d</span> <span class="i">$SubHTMLDir</span><span class="s">)</span> <span class="s">{</span> 1801 <span class="k">unlink</span> <span class="q">"<$SubHTMLDir/*.html>"</span><span class="sc">;</span> 1802 <span class="s">}</span> 1803 <span class="k">if</span> <span class="s">(</span><span class="k">-d</span> <span class="i">$SubMolDir</span><span class="s">)</span> <span class="s">{</span> 1804 <span class="k">unlink</span> <span class="q">"<$SubMolDir/*.mol>"</span><span class="sc">;</span> 1805 <span class="s">}</span> 1806 1807 <span class="c"># What directories need to be created...</span> 1808 <span class="i">$CreateTopHTMLDir</span> = <span class="s">(</span><span class="k">-d</span> <span class="i">$TopHTMLDir</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="n">1</span><span class="sc">;</span> 1809 <span class="i">$CreateSubHTMLDir</span> = <span class="s">(</span><span class="k">-d</span> <span class="i">$SubHTMLDir</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="n">1</span><span class="sc">;</span> 1810 <span class="i">$CreateSubMolDir</span> = <span class="n">0</span><span class="sc">;</span> 1811 <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">StrViewerType</span>} =~ <span class="q">/^(Jmol|Chime|Chem3DActiveX|ChemDrawActiveX|ChemDrawPlugIn|ViewerActiveX)$/i</span><span class="s">)</span> <span class="s">{</span> 1812 <span class="i">$CreateSubMolDir</span> = <span class="s">(</span><span class="k">-d</span> <span class="i">$SubMolDir</span><span class="s">)</span> ? <span class="n">0</span> <span class="co">:</span> <span class="n">1</span><span class="sc">;</span> 1813 <span class="s">}</span> 1814 1815 <span class="c"># Create appropriate directories...</span> 1816 <span class="k">if</span> <span class="s">(</span><span class="i">$CreateTopHTMLDir</span><span class="s">)</span> <span class="s">{</span> 1817 <span class="k">mkdir</span> <span class="i">$TopHTMLDir</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Couldn't mkdir $TopHTMLDir: $! \n"</span><span class="sc">;</span> 1818 <span class="s">}</span> 1819 <span class="k">if</span> <span class="s">(</span><span class="i">$CreateSubHTMLDir</span><span class="s">)</span> <span class="s">{</span> 1820 <span class="k">mkdir</span> <span class="i">$SubHTMLDir</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't mkdir $SubHTMLDir: $! \n"</span><span class="sc">;</span> 1821 <span class="s">}</span> 1822 <span class="k">else</span> <span class="s">{</span> 1823 <span class="k">unlink</span> <span class="q"><$SubHTMLDir/*.html></span><span class="sc">;</span> 1824 <span class="s">}</span> 1825 <span class="k">if</span> <span class="s">(</span><span class="i">$CreateSubMolDir</span><span class="s">)</span> <span class="s">{</span> 1826 <span class="k">mkdir</span> <span class="i">$SubMolDir</span> <span class="k">or</span> <span class="k">die</span> <span class="q">"Error: Couldn't mkdir $SubMolDir: $! \n"</span><span class="sc">;</span> 1827 <span class="s">}</span> 1828 <span class="k">return</span> <span class="s">(</span><span class="i">$TopHTMLDir</span><span class="cm">,</span> <span class="i">$SubHTMLDir</span><span class="cm">,</span> <span class="i">$SubMolDir</span><span class="s">)</span><span class="sc">;</span> 1829 <span class="s">}</span> 1830 1831 <span class="c"># Setup script usage and retrieve command line arguments specified using various options...</span> <a name="SetupScriptUsage-"></a>1832 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span> 1833 1834 <span class="c"># Retrieve all the options...</span> 1835 <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 1836 1837 <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">"shade"</span><span class="sc">;</span> 1838 <span class="i">$Options</span>{<span class="w">highlightstyle</span>} = <span class="q">"background"</span><span class="sc">;</span> 1839 1840 <span class="i">$Options</span>{<span class="w">cellpadding</span>} = <span class="n">2</span><span class="sc">;</span> 1841 <span class="i">$Options</span>{<span class="w">cellspacing</span>} = <span class="n">1</span><span class="sc">;</span> 1842 1843 <span class="i">$Options</span>{<span class="w">displaylinks</span>} = <span class="q">"both"</span><span class="sc">;</span> 1844 <span class="i">$Options</span>{<span class="w">displaylinksinfo</span>} = <span class="q">"both"</span><span class="sc">;</span> 1845 <span class="i">$Options</span>{<span class="w">stylesheet</span>} = <span class="q">"new"</span><span class="sc">;</span> 1846 1847 <span class="i">$Options</span>{<span class="w">structure</span>} = <span class="q">"display"</span><span class="sc">;</span> 1848 <span class="i">$Options</span>{<span class="w">strlinktype</span>} = <span class="q">"href"</span><span class="sc">;</span> 1849 <span class="i">$Options</span>{<span class="w">strlinkmode</span>} = <span class="q">"plain"</span><span class="sc">;</span> 1850 <span class="i">$Options</span>{<span class="w">strlinknavigation</span>} = <span class="q">"yes"</span><span class="sc">;</span> 1851 <span class="i">$Options</span>{<span class="w">strlinktitledisplay</span>} = <span class="q">"no"</span><span class="sc">;</span> 1852 1853 <span class="i">$Options</span>{<span class="w">strviewertype</span>} = <span class="q">"Jmol"</span><span class="sc">;</span> 1854 <span class="i">$Options</span>{<span class="w">strviewerembed</span>} = <span class="q">"direct"</span><span class="sc">;</span> 1855 1856 <span class="i">$Options</span>{<span class="w">titledisplay</span>} = <span class="q">"yes"</span><span class="sc">;</span> 1857 1858 <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">"align|a=s"</span><span class="cm">,</span> <span class="q">"border|b=i"</span><span class="cm">,</span> <span class="q">"cellpadding=i"</span><span class="cm">,</span> <span class="q">"cellspacing=i"</span><span class="cm">,</span> <span class="q">"cmpddatafield|c=s"</span><span class="cm">,</span> <span class="q">"datafields=s"</span><span class="cm">,</span> <span class="q">"footer=s"</span><span class="cm">,</span> <span class="q">"displaylinks|d=s"</span><span class="cm">,</span> <span class="q">"displaylinksinfo=s"</span><span class="cm">,</span> <span class="q">"help|h"</span><span class="cm">,</span> <span class="q">"headeralign=s"</span><span class="cm">,</span> <span class="q">"headercolor=s"</span><span class="cm">,</span> <span class="q">"highlight=s"</span><span class="cm">,</span> <span class="q">"highlightcolor=s"</span><span class="cm">,</span> <span class="q">"highlightstyle=s"</span><span class="cm">,</span> <span class="q">"mode|m=s"</span><span class="cm">,</span> <span class="q">"numcmpds|n=i"</span><span class="cm">,</span> <span class="q">"overwrite|o"</span><span class="cm">,</span> <span class="q">"root|r=s"</span><span class="cm">,</span> <span class="q">"shadecolor=s"</span><span class="cm">,</span> <span class="q">"stylesheet=s"</span><span class="cm">,</span> <span class="q">"stylesheetname=s"</span><span class="cm">,</span> <span class="q">"structure|s=s"</span><span class="cm">,</span> <span class="q">"strlinkmode=s"</span><span class="cm">,</span> <span class="q">"strlinknavigation=s"</span><span class="cm">,</span> <span class="q">"strlinkshadecolor=s"</span><span class="cm">,</span> <span class="q">"strlinktitle=s"</span><span class="cm">,</span> <span class="q">"strlinktitledisplay=s"</span><span class="cm">,</span> <span class="q">"strlinktype=s"</span><span class="cm">,</span> <span class="q">"strviewertype=s"</span><span class="cm">,</span> <span class="q">"strviewerconfig=s"</span><span class="cm">,</span> <span class="q">"strviewerparams=s"</span><span class="cm">,</span> <span class="q">"strviewerembed=s"</span><span class="cm">,</span> <span class="q">"strviewerjsfile=s"</span><span class="cm">,</span> <span class="q">"strtablesize=s"</span><span class="cm">,</span> <span class="q">"title|t=s"</span><span class="cm">,</span> <span class="q">"titledisplay=s"</span><span class="cm">,</span> <span class="q">"workingdir|w=s"</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1859 <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 $ScriptName -h\" command and try again...\n"</span><span class="sc">;</span> 1860 <span class="s">}</span> 1861 1862 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span> 1863 <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> 1864 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"</span><span class="sc">;</span> 1865 <span class="s">}</span> 1866 <span class="k">chdir</span> <span class="i">$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}: $! \n"</span><span class="sc">;</span> 1867 <span class="s">}</span> 1868 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">displaylinks</span>} !~ <span class="q">/^(top|bottom|both)$/i</span><span class="s">)</span> <span class="s">{</span> 1869 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{displaylinks}, for option \"-d --displaylinks\" is not valid. Allowed values: top, bottom, or both\n"</span><span class="sc">;</span> 1870 <span class="s">}</span> 1871 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">displaylinksinfo</span>} !~ <span class="q">/^(compound|table|both)$/i</span><span class="s">)</span> <span class="s">{</span> 1872 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{displaylinksinfo}, for option \"--displaylinksinfo\" is not valid. Allowed values: compound, table, or both\n"</span><span class="sc">;</span> 1873 <span class="s">}</span> 1874 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">highlightstyle</span>} !~ <span class="q">/^(background|text)$/i</span><span class="s">)</span> <span class="s">{</span> 1875 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{highlightstyle}, for option \"--highlightstyle\" is not valid. Allowed values: background or text\n"</span><span class="sc">;</span> 1876 <span class="s">}</span> 1877 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(plain|shade|highlight|shadedhighlight|structuresonly|shadedstructuresonly)$/i</span><span class="s">)</span> <span class="s">{</span> 1878 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: plain, shade, hightlight, shadedhighlight, structuresonly, or shadedstructuresonly\n"</span><span class="sc">;</span> 1879 <span class="s">}</span> 1880 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">stylesheet</span>} !~ <span class="q">/^(old|new|none)$/i</span><span class="s">)</span> <span class="s">{</span> 1881 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{stylesheet}, for option \"-s --stylesheet\" is not valid. Allowed values: old, new, or none\n"</span><span class="sc">;</span> 1882 <span class="s">}</span> 1883 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">structure</span>} !~ <span class="q">/^(display|link)$/i</span><span class="s">)</span> <span class="s">{</span> 1884 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{structure}, for option \"-s --structure\" is not valid. Allowed values: display or link\n"</span><span class="sc">;</span> 1885 <span class="s">}</span> 1886 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinkmode</span>} !~ <span class="q">/^(plain|shade)$/i</span><span class="s">)</span> <span class="s">{</span> 1887 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strlinkmode}, for option \"--strlinkmode\" is not valid. Allowed values: plain or shade\n"</span><span class="sc">;</span> 1888 <span class="s">}</span> 1889 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktype</span>} !~ <span class="q">/^(href|button)$/i</span><span class="s">)</span> <span class="s">{</span> 1890 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strlinktype}, for option \"--strlinktype\" is not valid. Allowed values: href or button\n"</span><span class="sc">;</span> 1891 <span class="s">}</span> 1892 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinknavigation</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> 1893 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strlinknavigation}, for option \"--strlinknavigation\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> 1894 <span class="s">}</span> 1895 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strlinktitledisplay</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> 1896 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strlinktitledisplay}, for option \"--strlinktitledisplay\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> 1897 <span class="s">}</span> 1898 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewertype</span>} !~ <span class="q">/^(JME|Jmol|Chime|MarvinView|ChemDrawPlugIn|Chem3DActiveX|ChemDrawActiveX|ViewerActiveX)$/i</span><span class="s">)</span> <span class="s">{</span> 1899 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strviewertype}, for option \"--strviewertype\" is not valid. Allowed values: Chem3DActiveX, ChemDrawActiveX, ChemDrawPlugIn, Chime, JME, Jmol, MarvinView, or ViewerActiveX.\n"</span><span class="sc">;</span> 1900 <span class="s">}</span> 1901 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">strviewerembed</span>} !~ <span class="q">/^(direct|javascript)$/i</span><span class="s">)</span> <span class="s">{</span> 1902 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{strviewerembed}, for option \"--strviewerembed\" is not valid. Allowed values: direct or javascript \n"</span><span class="sc">;</span> 1903 <span class="s">}</span> 1904 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$Options</span>{<span class="w">numcmpds</span>} && <span class="i">$Options</span>{<span class="w">numcmpds</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> 1905 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{numcmpds}, for option \"-n --numcmpds\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> 1906 <span class="s">}</span> 1907 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">titledisplay</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span> 1908 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{titledisplay}, for option \"--titledisplay\" is not valid. Allowed values: yes or no\n"</span><span class="sc">;</span> 1909 <span class="s">}</span> 1910 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">border</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1911 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">border</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> 1912 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{border}, for option \"--border\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> 1913 <span class="s">}</span> 1914 <span class="s">}</span> 1915 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">cellpadding</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> 1916 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{cellpadding}, for option \"--cellpadding\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> 1917 <span class="s">}</span> 1918 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">cellspacing</span>} < <span class="n">0</span><span class="s">)</span> <span class="s">{</span> 1919 <span class="k">die</span> <span class="q">"Error: The value specified, $Options{cellspacing}, for option \"--cellspacing\" is not valid. Allowed values: >= 0 \n"</span><span class="sc">;</span> 1920 <span class="s">}</span> 1921 <span class="s">}</span> 1922 <a name="EOF-"></a></pre> <p> </p> <br /> <center> <img src="../../../images/h2o2.png"> </center> </body> </html>