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+++ b/docs/scripts/html/code/InfoPeriodicTableElements.html	Wed Jan 20 09:23:18 2016 -0500
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+<html>
+<head>
+<title>MayaChemTools:Code:InfoPeriodicTableElements.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: InfoPeriodicTableElements.pl,v $</span>
+   4 <span class="c"># $Date: 2015/02/28 20:46:20 $</span>
+   5 <span class="c"># $Revision: 1.28 $</span>
+   6 <span class="c">#</span>
+   7 <span class="c"># Author: Manish Sud &lt;msud@san.rr.com&gt;</span>
+   8 <span class="c">#</span>
+   9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span>
+  10 <span class="c">#</span>
+  11 <span class="c"># This file is part of MayaChemTools.</span>
+  12 <span class="c">#</span>
+  13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span>
+  14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span>
+  15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span>
+  16 <span class="c"># later version.</span>
+  17 <span class="c">#</span>
+  18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span>
+  19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span>
+  20 <span class="c"># for a particular purpose.  See the GNU Lesser General Public License for more</span>
+  21 <span class="c"># details.</span>
+  22 <span class="c">#</span>
+  23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span>
+  24 <span class="c"># along with MayaChemTools; if not, see &lt;http://www.gnu.org/licenses/&gt; or</span>
+  25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span>
+  26 <span class="c"># Boston, MA, 02111-1307, USA.</span>
+  27 <span class="c">#</span>
+  28 
+  29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span>
+  30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">&quot;$FindBin::Bin/../lib&quot;</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">Text::ParseWords</span><span class="sc">;</span>
+  34 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span>
+  35 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span>
+  36 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span>
+  37 <span class="k">use</span> <span class="w">PeriodicTable</span><span class="sc">;</span>
+  38 
+  39 <span class="k">my</span><span class="s">(</span><span class="i">$ScriptName</span><span class="cm">,</span> <span class="i">%Options</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="cm">,</span> <span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$TotalTime</span><span class="s">)</span><span class="sc">;</span>
+  40 
+  41 <span class="c"># Autoflush STDOUT</span>
+  42 <span class="i">$|</span> = <span class="n">1</span><span class="sc">;</span>
+  43 
+  44 <span class="c"># Starting message...</span>
+  45 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span>
+  46 <span class="k">print</span> <span class="q">&quot;\n$ScriptName: Starting...\n\n&quot;</span><span class="sc">;</span>
+  47 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
+  48 
+  49 <span class="c"># Get the options and setup script...</span>
+  50 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+  51 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">help</span>}<span class="s">)</span> <span class="s">{</span>
+  52   <span class="k">die</span> <span class="i">GetUsageFromPod</span><span class="s">(</span><span class="q">&quot;$FindBin::Bin/$ScriptName&quot;</span><span class="s">)</span><span class="sc">;</span>
+  53 <span class="s">}</span>
+  54 
+  55 <span class="k">print</span> <span class="q">&quot;Processing options...\n&quot;</span><span class="sc">;</span>
+  56 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span>
+  57 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+  58 
+  59 <span class="i">ListElementProperties</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+  60 <span class="k">print</span> <span class="q">&quot;\n$ScriptName:Done...\n\n&quot;</span><span class="sc">;</span>
+  61 
+  62 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
+  63 <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">$StartTime</span><span class="s">)</span><span class="sc">;</span>
+  64 <span class="k">print</span> <span class="q">&quot;Total time: &quot;</span><span class="cm">,</span> <span class="i">timestr</span><span class="s">(</span><span class="i">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">&quot;\n&quot;</span><span class="sc">;</span>
+  65 
+  66 <span class="c">###############################################################################</span>
+  67 
+  68 <span class="c"># List atomic properties for elements...</span>
+<a name="ListElementProperties-"></a>  69 <span class="k">sub </span><span class="m">ListElementProperties</span> <span class="s">{</span>
+  70   <span class="k">my</span><span class="s">(</span><span class="i">$ElementID</span><span class="cm">,</span> <span class="i">$ElementDataRef</span><span class="cm">,</span> <span class="i">$PropertyName</span><span class="cm">,</span> <span class="i">$PropertyValue</span><span class="cm">,</span> <span class="i">$PropertyUnits</span><span class="cm">,</span> <span class="i">$PropertyUnitsRef</span><span class="cm">,</span> <span class="i">@PropertyLabels</span><span class="cm">,</span> <span class="i">@PropertyValues</span><span class="s">)</span><span class="sc">;</span>
+  71 
+  72   <span class="k">print</span> <span class="q">&quot;Listing information for periodic table element(s)...\n&quot;</span><span class="sc">;</span>
+  73 
+  74   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+  75     <span class="k">print</span> <span class="q">&quot;Generating file $OptionsInfo{OutFileName}...\n&quot;</span><span class="sc">;</span>
+  76     <span class="k">open</span> <span class="w">OUTFILE</span><span class="cm">,</span> <span class="q">&quot;&gt;$OptionsInfo{OutFileName}&quot;</span> <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Couldn&#39;t open $OptionsInfo{OutFileName}: $!\n&quot;</span><span class="sc">;</span>
+  77   <span class="s">}</span>
+  78 
+  79   <span class="c"># Setup property labels...</span>
+  80   <span class="i">@PropertyLabels</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+  81   <span class="i">$PropertyUnitsRef</span> = <span class="i">PeriodicTable::GetElementPropertiesNamesAndUnits</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+  82   <span class="k">for</span> <span class="i">$PropertyName</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="s">)</span> <span class="s">{</span>
+  83     <span class="i">$PropertyUnits</span> = <span class="s">(</span><span class="k">exists</span> <span class="i">$PropertyUnitsRef</span>-&gt;{<span class="i">$PropertyName</span>}<span class="s">)</span> ? <span class="i">$PropertyUnitsRef</span>-&gt;{<span class="i">$PropertyName</span>} <span class="co">:</span> <span class="q">&#39;&#39;</span><span class="sc">;</span>
+  84     <span class="k">if</span> <span class="s">(</span><span class="i">$PropertyName</span> =~ <span class="q">/^NaturalIsotopeData$/i</span><span class="s">)</span> <span class="s">{</span>
+  85       <span class="k">push</span> <span class="i">@PropertyLabels</span><span class="cm">,</span> <span class="q">qw(MassNumber: RelativeAtomicMass: NaturalAbundance:)</span><span class="sc">;</span>
+  86     <span class="s">}</span>
+  87     <span class="k">else</span> <span class="s">{</span>
+  88       <span class="k">push</span> <span class="i">@PropertyLabels</span><span class="cm">,</span> <span class="s">(</span><span class="i">$PropertyUnits</span> ? <span class="q">&quot;$PropertyName ($PropertyUnits):&quot;</span> <span class="co">:</span> <span class="q">&quot;$PropertyName:&quot;</span><span class="s">)</span><span class="sc">;</span>
+  89     <span class="s">}</span>
+  90   <span class="s">}</span>
+  91 
+  92   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ElementRowsOutput</span>}<span class="s">)</span> <span class="s">{</span>
+  93     <span class="i">ListHeaderRowData</span><span class="s">(</span>\<span class="i">@PropertyLabels</span><span class="s">)</span><span class="sc">;</span>
+  94   <span class="s">}</span>
+  95 
+  96   <span class="c"># Go over specified properties...</span>
+  97   <span class="k">for</span> <span class="i">$ElementID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="s">)</span> <span class="s">{</span>
+  98     <span class="i">$ElementDataRef</span> = <span class="i">PeriodicTable::GetElementPropertiesData</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="sc">;</span>
+  99 
+ 100     <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">ElementRowsOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 101       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 102         <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;\nListing atomic properties for element $ElementID...\n\n&quot;</span><span class="sc">;</span>
+ 103       <span class="s">}</span>
+ 104       <span class="k">else</span> <span class="s">{</span>
+ 105         <span class="k">print</span> <span class="q">&quot;\nListing atomic properties for element $ElementID...\n\n&quot;</span><span class="sc">;</span>
+ 106       <span class="s">}</span>
+ 107     <span class="s">}</span>
+ 108 
+ 109     <span class="c"># Collect data..</span>
+ 110     <span class="i">@PropertyValues</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 111     <span class="k">for</span> <span class="i">$PropertyName</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="s">)</span> <span class="s">{</span>
+ 112       <span class="k">if</span> <span class="s">(</span><span class="i">$PropertyName</span> =~ <span class="q">/^NaturalIsotopeData$/i</span><span class="s">)</span> <span class="s">{</span>
+ 113         <span class="k">push</span> <span class="i">@PropertyValues</span><span class="cm">,</span> <span class="i">SetupIsotopeData</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="sc">;</span>
+ 114       <span class="s">}</span>
+ 115       <span class="k">else</span> <span class="s">{</span>
+ 116         <span class="i">$PropertyValue</span> = <span class="i">$ElementDataRef</span>-&gt;{<span class="i">$PropertyName</span>}<span class="sc">;</span>
+ 117         <span class="k">if</span> <span class="s">(</span><span class="i">IsFloat</span><span class="s">(</span><span class="i">$PropertyValue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 118           <span class="i">$PropertyValue</span> = <span class="k">sprintf</span><span class="s">(</span><span class="q">&quot;%.$OptionsInfo{Precision}f&quot;</span><span class="cm">,</span> <span class="i">$PropertyValue</span><span class="s">)</span> + <span class="n">0</span><span class="sc">;</span>
+ 119         <span class="s">}</span>
+ 120         <span class="k">push</span> <span class="i">@PropertyValues</span><span class="cm">,</span> <span class="i">$PropertyValue</span><span class="sc">;</span>
+ 121       <span class="s">}</span>
+ 122     <span class="s">}</span>
+ 123     <span class="c"># List data...</span>
+ 124     <span class="i">ListElementData</span><span class="s">(</span>\<span class="i">@PropertyLabels</span><span class="cm">,</span> \<span class="i">@PropertyValues</span><span class="s">)</span><span class="sc">;</span>
+ 125   <span class="s">}</span>
+ 126   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 127     <span class="k">close</span> <span class="w">OUTFILE</span><span class="sc">;</span>
+ 128   <span class="s">}</span>
+ 129   <span class="k">print</span> <span class="q">&quot;\n&quot;</span><span class="sc">;</span>
+ 130 <span class="s">}</span>
+ 131 
+ 132 <span class="c"># List data for an element...</span>
+<a name="ListElementData-"></a> 133 <span class="k">sub </span><span class="m">ListElementData</span> <span class="s">{</span>
+ 134   <span class="k">my</span><span class="s">(</span><span class="i">$DataLabelRef</span><span class="cm">,</span> <span class="i">$DataValueRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
+ 135   <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$Line</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span><span class="sc">;</span>
+ 136 
+ 137   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">ElementRowsOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 138     <span class="i">$Line</span> = <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 139     <span class="c"># Format data...</span>
+ 140     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} || <span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^comma$/i</span><span class="s">)</span> <span class="s">{</span>
+ 141       <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span><span class="i">$DataValueRef</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
+ 142     <span class="s">}</span>
+ 143     <span class="k">else</span> <span class="s">{</span>
+ 144       <span class="c"># Always quote values containing commas...</span>
+ 145       <span class="i">$Line</span> = <span class="s">(</span><span class="i">$DataValueRef</span>-&gt;[<span class="n">0</span>] =~ <span class="q">/\,/</span><span class="s">)</span> ? <span class="q">qq(&quot;$DataValueRef-&gt;[0]&quot;)</span> <span class="co">:</span> <span class="i">$DataValueRef</span>-&gt;[<span class="n">0</span>]<span class="sc">;</span>
+ 146       <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">1</span> .. <span class="i">$#</span>{<span class="i">$DataValueRef</span>} <span class="s">)</span> <span class="s">{</span>
+ 147         <span class="i">$Value</span> = <span class="i">$DataValueRef</span>-&gt;[<span class="i">$Index</span>]<span class="sc">;</span>
+ 148         <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> =~ <span class="q">/\,/</span><span class="s">)</span> <span class="s">{</span>
+ 149           <span class="i">$Value</span> = <span class="q">qq(&quot;$Value&quot;)</span><span class="sc">;</span>
+ 150         <span class="s">}</span>
+ 151         <span class="i">$Line</span> .= <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} . <span class="i">$Value</span><span class="sc">;</span>
+ 152       <span class="s">}</span>
+ 153     <span class="s">}</span>
+ 154     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 155       <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 156     <span class="s">}</span>
+ 157     <span class="k">else</span> <span class="s">{</span>
+ 158       <span class="k">print</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 159     <span class="s">}</span>
+ 160   <span class="s">}</span>
+ 161   <span class="k">else</span> <span class="s">{</span>
+ 162     <span class="c"># Format and list data...</span>
+ 163     <span class="i">$Line</span> = <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 164     <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#</span>{<span class="i">$DataLabelRef</span>} <span class="s">)</span> <span class="s">{</span>
+ 165       <span class="i">$Line</span> = <span class="i">$DataLabelRef</span>-&gt;[<span class="i">$Index</span>] . <span class="q">&#39; &#39;</span> . <span class="i">$DataValueRef</span>-&gt;[<span class="i">$Index</span>]<span class="sc">;</span>
+ 166       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 167         <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 168       <span class="s">}</span>
+ 169       <span class="k">else</span> <span class="s">{</span>
+ 170         <span class="k">print</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 171       <span class="s">}</span>
+ 172     <span class="s">}</span>
+ 173   <span class="s">}</span>
+ 174 <span class="s">}</span>
+ 175 
+ 176 <span class="c"># List data for an element...</span>
+<a name="ListHeaderRowData-"></a> 177 <span class="k">sub </span><span class="m">ListHeaderRowData</span> <span class="s">{</span>
+ 178   <span class="k">my</span><span class="s">(</span><span class="i">$DataLabelRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
+ 179   <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="s">)</span><span class="sc">;</span>
+ 180 
+ 181   <span class="c"># Format data...</span>
+ 182   <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span><span class="i">$DataLabelRef</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
+ 183   <span class="i">$Line</span> =~ <span class="q">s/\://g</span><span class="sc">;</span>
+ 184   <span class="c"># List data...</span>
+ 185   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 186     <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 187   <span class="s">}</span>
+ 188   <span class="k">else</span> <span class="s">{</span>
+ 189     <span class="k">print</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
+ 190   <span class="s">}</span>
+ 191 <span class="s">}</span>
+ 192 
+ 193 <span class="c"># Setup isotope data strings...</span>
+<a name="SetupIsotopeData-"></a> 194 <span class="k">sub </span><span class="m">SetupIsotopeData</span> <span class="s">{</span>
+ 195   <span class="k">my</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
+ 196   <span class="k">my</span><span class="s">(</span><span class="i">$MassNumber</span><span class="cm">,</span> <span class="i">$RelativeAtomicMass</span><span class="cm">,</span> <span class="i">$NaturalAbundance</span><span class="cm">,</span> <span class="i">$NaturalIsotopeDataRef</span><span class="cm">,</span> <span class="i">@MassNumbers</span><span class="cm">,</span> <span class="i">@RelativeAtomicMasses</span><span class="cm">,</span> <span class="i">@NaturalAbundances</span><span class="s">)</span><span class="sc">;</span>
+ 197 
+ 198   <span class="c"># Get natural isotope data: MassNumber, RelativeAtomicMass and NaturalAbundance</span>
+ 199   <span class="i">@MassNumbers</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">@RelativeAtomicMasses</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> <span class="i">@NaturalAbundances</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 200   <span class="i">$NaturalIsotopeDataRef</span> = <span class="i">PeriodicTable::GetElementNaturalIsotopesData</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="sc">;</span>
+ 201   <span class="k">for</span> <span class="i">$MassNumber</span> <span class="s">(</span><span class="k">sort</span> <span class="s">{</span><span class="i">$a</span> &lt;=&gt; <span class="i">$b</span><span class="s">}</span> <span class="k">keys</span> <span class="i">%</span>{<span class="i">$NaturalIsotopeDataRef</span>}<span class="s">)</span> <span class="s">{</span>
+ 202     <span class="i">$RelativeAtomicMass</span> = <span class="i">$NaturalIsotopeDataRef</span>-&gt;{<span class="i">$MassNumber</span>}{<span class="w">RelativeAtomicMass</span>}<span class="sc">;</span>
+ 203     <span class="i">$NaturalAbundance</span> = <span class="i">$NaturalIsotopeDataRef</span>-&gt;{<span class="i">$MassNumber</span>}{<span class="w">NaturalAbundance</span>}<span class="sc">;</span>
+ 204     <span class="k">push</span> <span class="i">@MassNumbers</span><span class="cm">,</span> <span class="i">$MassNumber</span><span class="sc">;</span>
+ 205     <span class="i">$RelativeAtomicMass</span> = <span class="s">(</span><span class="i">$RelativeAtomicMass</span> &gt; <span class="n">0</span><span class="s">)</span> ? <span class="s">(</span><span class="k">sprintf</span><span class="s">(</span><span class="q">&quot;%.$OptionsInfo{Precision}f&quot;</span><span class="cm">,</span> <span class="i">$RelativeAtomicMass</span><span class="s">)</span> + <span class="n">0</span><span class="s">)</span> <span class="co">:</span> <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 206     <span class="k">push</span> <span class="i">@RelativeAtomicMasses</span><span class="cm">,</span> <span class="i">$RelativeAtomicMass</span><span class="sc">;</span>
+ 207     <span class="i">$NaturalAbundance</span> = <span class="s">(</span><span class="i">$NaturalAbundance</span> &gt; <span class="n">0</span><span class="s">)</span> ? <span class="s">(</span><span class="k">sprintf</span><span class="s">(</span><span class="q">&quot;%.$OptionsInfo{Precision}f&quot;</span><span class="cm">,</span> <span class="i">$NaturalAbundance</span><span class="s">)</span> + <span class="n">0</span><span class="s">)</span> <span class="co">:</span> <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 208     <span class="k">push</span> <span class="i">@NaturalAbundances</span><span class="cm">,</span> <span class="i">$NaturalAbundance</span><span class="sc">;</span>
+ 209   <span class="s">}</span>
+ 210   <span class="i">$MassNumber</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@MassNumbers</span><span class="cm">,</span> <span class="q">&quot;,&quot;</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="sc">;</span>
+ 211   <span class="i">$RelativeAtomicMass</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@RelativeAtomicMasses</span><span class="cm">,</span> <span class="q">&quot;,&quot;</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="sc">;</span>
+ 212   <span class="i">$NaturalAbundance</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@NaturalAbundances</span><span class="cm">,</span> <span class="q">&quot;,&quot;</span><span class="cm">,</span> <span class="n">0</span><span class="s">)</span><span class="sc">;</span>
+ 213   <span class="k">return</span> <span class="s">(</span><span class="i">$MassNumber</span><span class="cm">,</span> <span class="i">$RelativeAtomicMass</span><span class="cm">,</span> <span class="i">$NaturalAbundance</span><span class="s">)</span><span class="sc">;</span>
+ 214 <span class="s">}</span>
+ 215 
+ 216 <span class="c"># Get propery names from categories...</span>
+<a name="GetPropertyNamesFromCategories-"></a> 217 <span class="k">sub </span><span class="m">GetPropertyNamesFromCategories</span> <span class="s">{</span>
+ 218   <span class="k">my</span><span class="s">(</span><span class="i">$CategoryName</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
+ 219   <span class="k">my</span><span class="s">(</span><span class="i">@PropertyNames</span><span class="s">)</span><span class="sc">;</span>
+ 220 
+ 221   <span class="i">@PropertyNames</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 222   <span class="k">if</span> <span class="s">(</span><span class="i">$CategoryName</span> =~ <span class="q">/^Basic$/i</span><span class="s">)</span> <span class="s">{</span>
+ 223     <span class="i">@PropertyNames</span> = <span class="s">(</span><span class="q">&#39;AtomicNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementSymbol&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementName&#39;</span><span class="cm">,</span> <span class="q">&#39;AtomicWeight&#39;</span><span class="cm">,</span> <span class="q">&#39;GroundStateConfiguration&#39;</span><span class="cm">,</span> <span class="q">&#39;GroupNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;PeriodNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;FirstIonizationEnergy&#39;</span><span class="s">)</span><span class="sc">;</span>
+ 224   <span class="s">}</span> <span class="k">elsif</span> <span class="s">(</span><span class="i">$CategoryName</span> =~ <span class="q">/^BasicAndNaturalIsotope$/i</span><span class="s">)</span> <span class="s">{</span>
+ 225     <span class="c"># Natural isotope data includes: &#39;MassNumber&#39;, &#39;RelativeAtomicMass&#39;, &#39;NaturalAbundance&#39;</span>
+ 226     <span class="i">@PropertyNames</span> = <span class="s">(</span><span class="q">&#39;AtomicNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementSymbol&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementName&#39;</span><span class="cm">,</span> <span class="q">&#39;AtomicWeight&#39;</span><span class="cm">,</span> <span class="q">&#39;GroundStateConfiguration&#39;</span><span class="cm">,</span> <span class="q">&#39;GroupNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;PeriodNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;FirstIonizationEnergy&#39;</span><span class="cm">,</span> <span class="q">&#39;NaturalIsotopeData&#39;</span><span class="s">)</span><span class="sc">;</span>
+ 227   <span class="s">}</span> <span class="k">elsif</span> <span class="s">(</span><span class="i">$CategoryName</span> =~ <span class="q">/^NaturalIsotope$/i</span><span class="s">)</span> <span class="s">{</span>
+ 228     <span class="i">@PropertyNames</span> = <span class="s">(</span><span class="q">&#39;AtomicNumber&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementSymbol&#39;</span><span class="cm">,</span> <span class="q">&#39;ElementName&#39;</span><span class="cm">,</span> <span class="q">&#39;NaturalIsotopeData&#39;</span><span class="s">)</span><span class="sc">;</span>
+ 229   <span class="s">}</span>
+ 230 
+ 231   <span class="k">return</span> <span class="i">@PropertyNames</span><span class="sc">;</span>
+ 232 <span class="s">}</span>
+ 233 
+ 234 <span class="c"># Process option values...</span>
+<a name="ProcessOptions-"></a> 235 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span>
+ 236   <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 237 
+ 238   <span class="i">$OptionsInfo</span>{<span class="w">Mode</span>} = <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span>
+ 239 
+ 240   <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span> <span class="s">)</span> ? <span class="q">&quot;\t&quot;</span> <span class="co">:</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^semicolon$/i</span><span class="s">)</span> ? <span class="q">&quot;\;&quot;</span> <span class="co">:</span> <span class="q">&quot;\,&quot;</span><span class="s">)</span><span class="sc">;</span>
+ 241   <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} =~ <span class="q">/^yes$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
+ 242 
+ 243   <span class="i">$OptionsInfo</span>{<span class="w">Overwrite</span>} = <span class="k">defined</span> <span class="i">$Options</span>{<span class="w">overwrite</span>} ? <span class="i">$Options</span>{<span class="w">overwrite</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span>
+ 244   <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} = <span class="k">defined</span> <span class="i">$Options</span>{<span class="w">root</span>} ? <span class="i">$Options</span>{<span class="w">root</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span>
+ 245 
+ 246   <span class="i">$OptionsInfo</span>{<span class="w">Output</span>} = <span class="i">$Options</span>{<span class="w">output</span>}<span class="sc">;</span>
+ 247   <span class="i">$OptionsInfo</span>{<span class="w">OutputStyle</span>} = <span class="i">$Options</span>{<span class="w">outputstyle</span>}<span class="sc">;</span>
+ 248 
+ 249   <span class="i">$OptionsInfo</span>{<span class="w">ElementRowsOutput</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">outputstyle</span>} =~ <span class="q">/^ElementRows$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
+ 250   <span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} =~ <span class="q">/^File$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
+ 251 
+ 252   <span class="i">$OptionsInfo</span>{<span class="w">Precision</span>} = <span class="i">$Options</span>{<span class="w">precision</span>}<span class="sc">;</span>
+ 253 
+ 254   <span class="k">my</span><span class="s">(</span><span class="i">$ElementID</span><span class="cm">,</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="i">@GroupElements</span><span class="cm">,</span> <span class="i">@PeriodElements</span><span class="cm">,</span> <span class="i">%GroupNamesMap</span><span class="s">)</span><span class="sc">;</span>
+ 255 
+ 256   <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 257   <span class="k">if</span> <span class="s">(</span><span class="i">@ARGV</span> &gt;=<span class="n">1</span> &amp;&amp; <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">)</span> <span class="s">{</span>
+ 258     <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring comman line element IDs: Not valid for All value of \&quot;-m --mode\&quot; option...\n&quot;</span><span class="sc">;</span>
+ 259   <span class="s">}</span>
+ 260 
+ 261   <span class="c"># Set up element IDs except for All mode...</span>
+ 262   <span class="i">@ElementIDs</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 263   <span class="i">%GroupNamesMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 264 
+ 265   <span class="k">if</span> <span class="s">(</span><span class="i">@ARGV</span> &gt;=<span class="n">1</span> <span class="s">)</span> <span class="s">{</span>
+ 266     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
+ 267       <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="i">@ARGV</span><span class="sc">;</span>
+ 268     <span class="s">}</span>
+ 269   <span class="s">}</span>
+ 270   <span class="k">else</span> <span class="s">{</span>
+ 271     <span class="c"># Setup mode specified default values...</span>
+ 272     <span class="k">my</span><span class="s">(</span><span class="i">$Nothing</span><span class="s">)</span><span class="sc">;</span>
+ 273     <span class="j">MODE:</span> <span class="s">{</span>
+ 274         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^ElementID$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;H&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 275         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^AmericanGroupLabel$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;IA&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 276         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^EuropeanGroupLabel$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;IA&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 277         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^GroupNumber$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;1&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 278         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^GroupName$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;AlkaliMetals&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 279         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^PeriodNumber$/i</span><span class="s">)</span> <span class="s">{</span> <span class="k">push</span> <span class="i">@ElementIDs</span><span class="cm">,</span> <span class="q">&#39;1&#39;</span><span class="sc">;</span> <span class="k">last</span> <span class="j">MODE</span><span class="sc">;</span> <span class="s">}</span><span class="sc">;</span>
+ 280         <span class="i">$Nothing</span> = <span class="n">1</span><span class="sc">;</span>
+ 281       <span class="s">}</span>
+ 282   <span class="s">}</span>
+ 283   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^GroupName$/i</span><span class="s">)</span> <span class="s">{</span>
+ 284     <span class="c"># Map group names to what&#39;s stored in Perioidic table data file...</span>
+ 285     <span class="i">%GroupNamesMap</span> = <span class="s">(</span><span class="q">&#39;alkalimetals&#39;</span><span class="cm">,</span> <span class="q">&#39;Alkali metal&#39;</span><span class="cm">,</span> <span class="q">&#39;alkalineearthmetals&#39;</span><span class="cm">,</span> <span class="q">&#39;Alkaline earth metal&#39;</span><span class="cm">,</span> <span class="q">&#39;chalcogens&#39;</span><span class="cm">,</span> <span class="q">&#39;Chalcogen&#39;</span><span class="cm">,</span> <span class="q">&#39;coinagemetals&#39;</span><span class="cm">,</span> <span class="q">&#39;Coinage metal&#39;</span><span class="cm">,</span> <span class="q">&#39;halogens&#39;</span><span class="cm">,</span> <span class="q">&#39;Halogen&#39;</span><span class="cm">,</span> <span class="q">&#39;noblegases&#39;</span><span class="cm">,</span> <span class="q">&#39;Noble gas&#39;</span><span class="cm">,</span> <span class="q">&#39;pnictogens&#39;</span><span class="cm">,</span> <span class="q">&#39;Pnictogen&#39;</span><span class="cm">,</span> <span class="q">&#39;lanthanides&#39;</span><span class="cm">,</span> <span class="q">&#39;Lanthanoid&#39;</span><span class="cm">,</span> <span class="q">&#39;lanthanoids&#39;</span><span class="cm">,</span> <span class="q">&#39;Lanthanoid&#39;</span><span class="cm">,</span> <span class="q">&#39;actinides&#39;</span><span class="cm">,</span> <span class="q">&#39;Actinoid&#39;</span><span class="cm">,</span> <span class="q">&#39;actinoids&#39;</span><span class="cm">,</span> <span class="q">&#39;Actinoid&#39;</span> <span class="s">)</span><span class="sc">;</span>
+ 286   <span class="s">}</span>
+ 287 
+ 288   <span class="c"># Generate list of elements...</span>
+ 289   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
+ 290     <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">PeriodicTable::GetElements</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 291   <span class="s">}</span>
+ 292   <span class="k">else</span> <span class="s">{</span>
+ 293     <span class="j">ELEMENTID:</span> <span class="k">for</span> <span class="i">$ElementID</span> <span class="s">(</span><span class="i">@ElementIDs</span><span class="s">)</span> <span class="s">{</span>
+ 294       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^ElementID$/i</span><span class="s">)</span> <span class="s">{</span>
+ 295         <span class="k">if</span> <span class="s">(</span><span class="i">PeriodicTable::IsElement</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 296           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">$ElementID</span><span class="sc">;</span>
+ 297         <span class="s">}</span>
+ 298         <span class="k">else</span> <span class="s">{</span>
+ 299           <span class="k">warn</span> <span class="q">&quot;Ignoring element ID, $ElementID, specified using command line parameter: Unknown element ID...\n&quot;</span><span class="sc">;</span>
+ 300           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 301         <span class="s">}</span>
+ 302       <span class="s">}</span>
+ 303       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^AmericanGroupLabel$/i</span><span class="s">)</span> <span class="s">{</span>
+ 304         <span class="k">if</span> <span class="s">(</span><span class="i">@GroupElements</span> = <span class="i">PeriodicTable::GetElementsByAmericanStyleGroupLabel</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 305           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">@GroupElements</span><span class="sc">;</span>
+ 306         <span class="s">}</span>
+ 307         <span class="k">else</span> <span class="s">{</span>
+ 308           <span class="k">warn</span> <span class="q">&quot;Ignoring American style group label, $ElementID, specified using command line parameter: Unknown group label...\n&quot;</span><span class="sc">;</span>
+ 309           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 310         <span class="s">}</span>
+ 311       <span class="s">}</span>
+ 312       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^EuropeanGroupLabel$/i</span><span class="s">)</span> <span class="s">{</span>
+ 313         <span class="k">if</span> <span class="s">(</span><span class="i">@GroupElements</span> = <span class="i">PeriodicTable::GetElementsByEuropeanStyleGroupLabel</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 314           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">@GroupElements</span><span class="sc">;</span>
+ 315         <span class="s">}</span>
+ 316         <span class="k">else</span> <span class="s">{</span>
+ 317           <span class="k">warn</span> <span class="q">&quot;Ignoring American style group label, $ElementID, specified using command line parameter: Unknown group label...\n&quot;</span><span class="sc">;</span>
+ 318           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 319         <span class="s">}</span>
+ 320       <span class="s">}</span>
+ 321       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^GroupNumber$/i</span><span class="s">)</span> <span class="s">{</span>
+ 322         <span class="k">if</span> <span class="s">(</span><span class="i">@GroupElements</span> = <span class="i">PeriodicTable::GetElementsByGroupNumber</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 323           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">@GroupElements</span><span class="sc">;</span>
+ 324         <span class="s">}</span>
+ 325         <span class="k">else</span> <span class="s">{</span>
+ 326           <span class="k">warn</span> <span class="q">&quot;Ignoring group number, $ElementID, specified using command line parameter: Unknown group number...\n&quot;</span><span class="sc">;</span>
+ 327           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 328         <span class="s">}</span>
+ 329       <span class="s">}</span>
+ 330       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^GroupName$/i</span><span class="s">)</span> <span class="s">{</span>
+ 331         <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$GroupNamesMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span>}<span class="s">)</span> <span class="s">{</span>
+ 332           <span class="i">@GroupElements</span> = <span class="i">PeriodicTable::GetElementsByGroupName</span><span class="s">(</span><span class="i">$GroupNamesMap</span>{<span class="k">lc</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span>}<span class="s">)</span><span class="sc">;</span>
+ 333           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">@GroupElements</span><span class="sc">;</span>
+ 334         <span class="s">}</span>
+ 335         <span class="k">else</span> <span class="s">{</span>
+ 336           <span class="k">warn</span> <span class="q">&quot;Ignoring group name, $ElementID, specified using command line parameter: Unknown group name...\n&quot;</span><span class="sc">;</span>
+ 337           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 338         <span class="s">}</span>
+ 339       <span class="s">}</span>
+ 340       <span class="k">elsif</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^PeriodNumber$/i</span><span class="s">)</span> <span class="s">{</span>
+ 341         <span class="k">if</span> <span class="s">(</span><span class="i">@GroupElements</span> = <span class="i">PeriodicTable::GetElementsByPeriodNumber</span><span class="s">(</span><span class="i">$ElementID</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 342           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedElementIDs</span>}}<span class="cm">,</span> <span class="i">@GroupElements</span><span class="sc">;</span>
+ 343         <span class="s">}</span>
+ 344         <span class="k">else</span> <span class="s">{</span>
+ 345           <span class="k">warn</span> <span class="q">&quot;Ignoring period number, $ElementID, specified using command line parameter: Unknown period number...\n&quot;</span><span class="sc">;</span>
+ 346           <span class="k">next</span> <span class="j">ELEMENTID</span><span class="sc">;</span>
+ 347         <span class="s">}</span>
+ 348       <span class="s">}</span>
+ 349     <span class="s">}</span>
+ 350   <span class="s">}</span>
+ 351   <span class="i">SetupSpecifiedProperties</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 352 
+ 353   <span class="c"># Setup output file name...</span>
+ 354   <span class="i">$OptionsInfo</span>{<span class="w">OutFileName</span>} = <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 355   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">FileOutput</span>}<span class="s">)</span> <span class="s">{</span>
+ 356     <span class="k">my</span><span class="s">(</span><span class="i">$OutFileRoot</span><span class="cm">,</span> <span class="i">$OutFileExt</span><span class="s">)</span><span class="sc">;</span>
+ 357 
+ 358     <span class="i">$OutFileRoot</span> = <span class="q">&#39;&#39;</span><span class="sc">;</span>
+ 359     <span class="i">$OutFileExt</span> = <span class="q">&quot;csv&quot;</span><span class="sc">;</span>
+ 360     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span>
+ 361       <span class="i">$OutFileExt</span> = <span class="q">&quot;tsv&quot;</span><span class="sc">;</span>
+ 362     <span class="s">}</span>
+ 363     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">root</span>}<span class="s">)</span> <span class="s">{</span>
+ 364       <span class="k">my</span> <span class="s">(</span><span class="i">$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">$Options</span>{<span class="w">root</span>}<span class="s">)</span><span class="sc">;</span>
+ 365       <span class="k">if</span> <span class="s">(</span><span class="i">$RootFileName</span> &amp;&amp; <span class="i">$RootFileExt</span><span class="s">)</span> <span class="s">{</span>
+ 366         <span class="i">$OutFileRoot</span> = <span class="i">$RootFileName</span><span class="sc">;</span>
+ 367       <span class="s">}</span>
+ 368       <span class="k">else</span> <span class="s">{</span>
+ 369         <span class="i">$OutFileRoot</span> = <span class="i">$Options</span>{<span class="w">root</span>}<span class="sc">;</span>
+ 370       <span class="s">}</span>
+ 371     <span class="s">}</span>
+ 372     <span class="k">else</span> <span class="s">{</span>
+ 373       <span class="i">$OutFileRoot</span> = <span class="q">&#39;PeriodicTableElementsInfo&#39;</span> . <span class="i">$Options</span>{<span class="w">mode</span>}<span class="sc">;</span>
+ 374     <span class="s">}</span>
+ 375     <span class="i">$OptionsInfo</span>{<span class="w">OutFileName</span>} = <span class="i">$OutFileRoot</span> . <span class="q">&#39;.&#39;</span> . <span class="i">$OutFileExt</span><span class="sc">;</span>
+ 376     <span class="k">if</span> <span class="s">(</span>!<span class="i">$Options</span>{<span class="w">overwrite</span>}<span class="s">)</span> <span class="s">{</span>
+ 377       <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$OptionsInfo</span>{<span class="w">OutFileName</span>}<span class="s">)</span> <span class="s">{</span>
+ 378         <span class="k">die</span> <span class="q">&quot;Error: Output file, $OptionsInfo{OutFileName}, already exists.\nUse \-o --overwrite\ option or specify a different name using \&quot;-r --root\&quot; option.\n&quot;</span><span class="sc">;</span>
+ 379       <span class="s">}</span>
+ 380     <span class="s">}</span>
+ 381   <span class="s">}</span>
+ 382 <span class="s">}</span>
+ 383 
+ 384 <span class="c"># Setup properties to list...</span>
+<a name="SetupSpecifiedProperties-"></a> 385 <span class="k">sub </span><span class="m">SetupSpecifiedProperties</span> <span class="s">{</span>
+ 386   <span class="i">$OptionsInfo</span>{<span class="w">Properties</span>} = <span class="k">defined</span> <span class="i">$Options</span>{<span class="w">properties</span>} ? <span class="i">$Options</span>{<span class="w">properties</span>} <span class="co">:</span> <span class="k">undef</span><span class="sc">;</span>
+ 387 
+ 388   <span class="i">$OptionsInfo</span>{<span class="w">PropertiesMode</span>} = <span class="i">$Options</span>{<span class="w">propertiesmode</span>}<span class="sc">;</span>
+ 389   <span class="i">$OptionsInfo</span>{<span class="w">PropertiesListing</span>} = <span class="i">$Options</span>{<span class="w">propertieslisting</span>}<span class="sc">;</span>
+ 390 
+ 391   <span class="c"># Make sure atomic appropriate properties/category names are specified...</span>
+ 392   <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 393   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">properties</span>} &amp;&amp; <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertiesmode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">)</span> <span class="s">{</span>
+ 394     <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring values specifed by \&quot;-p --properties\&quot; option: Not valid for All value of \&quot;--propertiesmode\&quot; option...\n&quot;</span><span class="sc">;</span>
+ 395   <span class="s">}</span>
+ 396   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertiesmode</span>} =~ <span class="q">/^All$/i</span><span class="s">)</span> <span class="s">{</span>
+ 397     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertieslisting</span>} =~ <span class="q">/^Alphabetical$/i</span><span class="s">)</span> <span class="s">{</span>
+ 398       <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">PeriodicTable::GetElementPropertiesNames</span><span class="s">(</span><span class="q">&#39;Alphabetical&#39;</span><span class="s">)</span><span class="sc">;</span>
+ 399     <span class="s">}</span>
+ 400     <span class="k">else</span> <span class="s">{</span>
+ 401       <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">PeriodicTable::GetElementPropertiesNames</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 402     <span class="s">}</span>
+ 403     <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="q">&#39;NaturalIsotopeData&#39;</span><span class="sc">;</span>
+ 404   <span class="s">}</span>
+ 405   <span class="k">else</span> <span class="s">{</span>
+ 406     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">properties</span>}<span class="s">)</span> <span class="s">{</span>
+ 407       <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertiesmode</span>} =~ <span class="q">/^Categories$/i</span><span class="s">)</span> <span class="s">{</span>
+ 408         <span class="c"># Check category name...</span>
+ 409         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">properties</span>} !~ <span class="q">/^(Basic|BasicAndNaturalIsotope|NaturalIsotope)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 410           <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{properties}, for option \&quot;-p --properties\&quot; in conjunction with \&quot;Categories\&quot; value for option \&quot;--propertiesmode\&quot; is not valid. Allowed values: Basic, BasicAndNaturalIsotope, NaturalIsotope\n&quot;</span><span class="sc">;</span>
+ 411         <span class="s">}</span>
+ 412         <span class="c"># Set propertynames...</span>
+ 413         <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">GetPropertyNamesFromCategories</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">properties</span>}<span class="s">)</span><span class="sc">;</span>
+ 414       <span class="s">}</span>
+ 415       <span class="k">else</span> <span class="s">{</span>
+ 416         <span class="c"># Check property names..</span>
+ 417         <span class="k">my</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$PropertyName</span><span class="cm">,</span> <span class="i">@Names</span><span class="s">)</span><span class="sc">;</span>
+ 418         <span class="i">@Names</span> = <span class="k">split</span> <span class="q">/\,/</span><span class="cm">,</span> <span class="i">$Options</span>{<span class="w">properties</span>}<span class="sc">;</span>
+ 419         <span class="j">NAME:</span> <span class="k">for</span> <span class="i">$Name</span> <span class="s">(</span><span class="i">@Names</span><span class="s">)</span> <span class="s">{</span>
+ 420           <span class="i">$PropertyName</span> = <span class="i">RemoveLeadingAndTrailingWhiteSpaces</span><span class="s">(</span><span class="i">$Name</span><span class="s">)</span><span class="sc">;</span>
+ 421           <span class="k">if</span> <span class="s">(</span><span class="i">$PropertyName</span> =~ <span class="q">/^NaturalIsotopeData$/i</span><span class="s">)</span> <span class="s">{</span>
+ 422             <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">$PropertyName</span><span class="sc">;</span>
+ 423             <span class="k">next</span> <span class="j">NAME</span><span class="sc">;</span>
+ 424           <span class="s">}</span>
+ 425           <span class="k">if</span> <span class="s">(</span><span class="i">PeriodicTable::IsElementProperty</span><span class="s">(</span><span class="i">$PropertyName</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 426             <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">$PropertyName</span><span class="sc">;</span>
+ 427           <span class="s">}</span>
+ 428           <span class="k">else</span> <span class="s">{</span>
+ 429             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring value, $Name, specifed by \&quot;-p --properties\&quot; option: Unknown property name...\n&quot;</span><span class="sc">;</span>
+ 430           <span class="s">}</span>
+ 431         <span class="s">}</span>
+ 432         <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertieslisting</span>} =~ <span class="q">/^Alphabetical$/i</span><span class="s">)</span> <span class="s">{</span>
+ 433           <span class="c"># AtomicNumber, ElementSymbol and ElementName are always listed first and</span>
+ 434           <span class="c"># NaturalIsotopeData in the end...</span>
+ 435           <span class="k">my</span><span class="s">(</span><span class="i">$AtomicNumberPresent</span><span class="cm">,</span> <span class="i">$ElementSymbolPresent</span><span class="cm">,</span> <span class="i">$ElementNamePresent</span><span class="cm">,</span> <span class="i">$NaturalIsotopeDataPresent</span><span class="cm">,</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="i">%PropertiesMap</span><span class="s">)</span><span class="sc">;</span>
+ 436           <span class="i">%PropertiesMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 437           <span class="i">@AlphabeticalProperties</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 438           <span class="i">$AtomicNumberPresent</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$ElementSymbolPresent</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$ElementNamePresent</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$NaturalIsotopeDataPresent</span> = <span class="n">0</span><span class="sc">;</span>
+ 439           <span class="j">NAME:</span> <span class="k">for</span> <span class="i">$Name</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="s">)</span> <span class="s">{</span>
+ 440             <span class="k">if</span> <span class="s">(</span><span class="i">$Name</span> =~ <span class="q">/^AtomicNumber$/i</span><span class="s">)</span> <span class="s">{</span>
+ 441               <span class="i">$AtomicNumberPresent</span> = <span class="n">1</span><span class="sc">;</span>
+ 442               <span class="k">next</span> <span class="j">NAME</span><span class="sc">;</span>
+ 443             <span class="s">}</span>
+ 444             <span class="k">if</span> <span class="s">(</span><span class="i">$Name</span> =~ <span class="q">/^ElementSymbol$/i</span><span class="s">)</span> <span class="s">{</span>
+ 445               <span class="i">$ElementSymbolPresent</span> = <span class="n">1</span><span class="sc">;</span>
+ 446               <span class="k">next</span> <span class="j">NAME</span><span class="sc">;</span>
+ 447             <span class="s">}</span>
+ 448             <span class="k">if</span> <span class="s">(</span><span class="i">$Name</span> =~ <span class="q">/^ElementName$/i</span><span class="s">)</span> <span class="s">{</span>
+ 449               <span class="i">$ElementNamePresent</span> = <span class="n">1</span><span class="sc">;</span>
+ 450               <span class="k">next</span> <span class="j">NAME</span><span class="sc">;</span>
+ 451             <span class="s">}</span>
+ 452             <span class="k">if</span> <span class="s">(</span><span class="i">$Name</span> =~ <span class="q">/^NaturalIsotopeData$/i</span><span class="s">)</span> <span class="s">{</span>
+ 453               <span class="i">$NaturalIsotopeDataPresent</span> = <span class="n">1</span><span class="sc">;</span>
+ 454               <span class="k">next</span> <span class="j">NAME</span><span class="sc">;</span>
+ 455             <span class="s">}</span>
+ 456             <span class="i">$PropertiesMap</span>{<span class="i">$Name</span>} = <span class="i">$Name</span><span class="sc">;</span>
+ 457           <span class="s">}</span>
+ 458           <span class="c"># Setup the alphabetical list...</span>
+ 459           <span class="k">if</span> <span class="s">(</span><span class="i">$AtomicNumberPresent</span><span class="s">)</span> <span class="s">{</span>
+ 460             <span class="k">push</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="q">&#39;AtomicNumber&#39;</span><span class="sc">;</span>
+ 461           <span class="s">}</span>
+ 462           <span class="k">if</span> <span class="s">(</span><span class="i">$ElementSymbolPresent</span><span class="s">)</span> <span class="s">{</span>
+ 463             <span class="k">push</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="q">&#39;ElementSymbol&#39;</span><span class="sc">;</span>
+ 464           <span class="s">}</span>
+ 465           <span class="k">if</span> <span class="s">(</span><span class="i">$ElementNamePresent</span><span class="s">)</span> <span class="s">{</span>
+ 466             <span class="k">push</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="q">&#39;ElementName&#39;</span><span class="sc">;</span>
+ 467           <span class="s">}</span>
+ 468           <span class="k">for</span> <span class="i">$Name</span> <span class="s">(</span><span class="k">sort</span> <span class="k">keys</span> <span class="i">%PropertiesMap</span><span class="s">)</span> <span class="s">{</span>
+ 469             <span class="k">push</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="i">$Name</span><span class="sc">;</span>
+ 470           <span class="s">}</span>
+ 471           <span class="k">if</span> <span class="s">(</span><span class="i">$NaturalIsotopeDataPresent</span><span class="s">)</span> <span class="s">{</span>
+ 472             <span class="k">push</span> <span class="i">@AlphabeticalProperties</span><span class="cm">,</span> <span class="q">&#39;NaturalIsotopeData&#39;</span><span class="sc">;</span>
+ 473           <span class="s">}</span>
+ 474           <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 475           <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">@AlphabeticalProperties</span><span class="sc">;</span>
+ 476         <span class="s">}</span>
+ 477       <span class="s">}</span>
+ 478     <span class="s">}</span>
+ 479     <span class="k">else</span> <span class="s">{</span>
+ 480       <span class="c"># Set default value...</span>
+ 481       <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedProperies</span>}}<span class="cm">,</span> <span class="i">GetPropertyNamesFromCategories</span><span class="s">(</span><span class="q">&#39;Basic&#39;</span><span class="s">)</span><span class="sc">;</span>
+ 482     <span class="s">}</span>
+ 483   <span class="s">}</span>
+ 484 <span class="s">}</span>
+ 485 
+ 486 <span class="c"># Setup script usage  and retrieve command line arguments specified using various options...</span>
+<a name="SetupScriptUsage-"></a> 487 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span>
+ 488 
+ 489   <span class="c"># Retrieve all the options...</span>
+ 490   <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
+ 491   <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">&quot;ElementID&quot;</span><span class="sc">;</span>
+ 492   <span class="i">$Options</span>{<span class="w">outdelim</span>} = <span class="q">&quot;comma&quot;</span><span class="sc">;</span>
+ 493   <span class="i">$Options</span>{<span class="w">output</span>} = <span class="q">&quot;STDOUT&quot;</span><span class="sc">;</span>
+ 494   <span class="i">$Options</span>{<span class="w">outputstyle</span>} = <span class="q">&quot;ElementBlock&quot;</span><span class="sc">;</span>
+ 495   <span class="i">$Options</span>{<span class="w">precision</span>} = <span class="n">4</span><span class="sc">;</span>
+ 496   <span class="i">$Options</span>{<span class="w">propertiesmode</span>} = <span class="q">&quot;Categories&quot;</span><span class="sc">;</span>
+ 497   <span class="i">$Options</span>{<span class="w">propertieslisting</span>} = <span class="q">&quot;ByGroup&quot;</span><span class="sc">;</span>
+ 498   <span class="i">$Options</span>{<span class="w">quote</span>} = <span class="q">&quot;yes&quot;</span><span class="sc">;</span>
+ 499 
+ 500   <span class="k">if</span> <span class="s">(</span>!<span class="i">GetOptions</span><span class="s">(</span>\<span class="i">%Options</span><span class="cm">,</span> <span class="q">&quot;help|h&quot;</span><span class="cm">,</span> <span class="q">&quot;mode|m=s&quot;</span><span class="cm">,</span> <span class="q">&quot;outdelim=s&quot;</span><span class="cm">,</span> <span class="q">&quot;output=s&quot;</span><span class="cm">,</span> <span class="q">&quot;outputstyle=s&quot;</span><span class="cm">,</span> <span class="q">&quot;overwrite|o&quot;</span><span class="cm">,</span> <span class="q">&quot;precision=i&quot;</span><span class="cm">,</span> <span class="q">&quot;properties|p=s&quot;</span><span class="cm">,</span> <span class="q">&quot;propertieslisting=s&quot;</span><span class="cm">,</span> <span class="q">&quot;propertiesmode=s&quot;</span><span class="cm">,</span> <span class="q">&quot;quote|q=s&quot;</span><span class="cm">,</span> <span class="q">&quot;root|r=s&quot;</span><span class="cm">,</span> <span class="q">&quot;workingdir|w=s&quot;</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 501     <span class="k">die</span> <span class="q">&quot;\nTo get a list of valid options and their values, use \&quot;$ScriptName -h\&quot; or\n\&quot;perl -S $ScriptName -h\&quot; command and try again...\n&quot;</span><span class="sc">;</span>
+ 502   <span class="s">}</span>
+ 503   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span>
+ 504     <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>
+ 505       <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{workingdir}, for option \&quot;-w --workingdir\&quot; is not a directory name.\n&quot;</span><span class="sc">;</span>
+ 506     <span class="s">}</span>
+ 507     <span class="k">chdir</span> <span class="i">$Options</span>{<span class="w">workingdir</span>} <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Error: Couldn&#39;t chdir $Options{workingdir}: $! \n&quot;</span><span class="sc">;</span>
+ 508   <span class="s">}</span>
+ 509   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(ElementID|AmericanGroupLabel|EuropeanGroupLabel|GroupNumber|GroupName|PeriodNumber|All)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 510     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{mode}, for option \&quot;-m --mode\&quot; is not valid. Allowed values: ElementID, AmericanGroupLabel, EuropeanGroupLabel, GroupNumber, GroupName, PeriodNumber, or All\n&quot;</span><span class="sc">;</span>
+ 511   <span class="s">}</span>
+ 512   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 513     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{outdelim}, for option \&quot;--outdelim\&quot; is not valid. Allowed values: comma, tab, or semicolon\n&quot;</span><span class="sc">;</span>
+ 514   <span class="s">}</span>
+ 515   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">output</span>} !~ <span class="q">/^(STDOUT|File)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 516     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{output}, for option \&quot;--output\&quot; is not valid. Allowed values: STDOUT or File\n&quot;</span><span class="sc">;</span>
+ 517   <span class="s">}</span>
+ 518   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outputstyle</span>} !~ <span class="q">/^(ElementBlock|ElementRows)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 519     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{outputstyle}, for option \&quot;--outputstyle\&quot; is not valid. Allowed values: ElementBlock or ElementRows\n&quot;</span><span class="sc">;</span>
+ 520   <span class="s">}</span>
+ 521   <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">precision</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
+ 522     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{precision}, for option \&quot;-p --precision\&quot; is not valid. Allowed values: &gt; 0 \n&quot;</span><span class="sc">;</span>
+ 523   <span class="s">}</span>
+ 524   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertiesmode</span>} !~ <span class="q">/^(Categories|Names|All)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 525     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{propertiesmode}, for option \&quot;--propertiesmode\&quot; is not valid. Allowed values: Categories, Names, or All\n&quot;</span><span class="sc">;</span>
+ 526   <span class="s">}</span>
+ 527   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">propertieslisting</span>} !~ <span class="q">/^(ByGroup|Alphabetical)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 528     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{propertieslisting}, for option \&quot;--propertieslisting\&quot; is not valid. Allowed values: ByGroup, or Alphabetical\n&quot;</span><span class="sc">;</span>
+ 529   <span class="s">}</span>
+ 530   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span>
+ 531     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{quote}, for option \&quot;-q --quote\&quot; is not valid. Allowed values: yes or no\n&quot;</span><span class="sc">;</span>
+ 532   <span class="s">}</span>
+ 533 <span class="s">}</span>
+ 534 
+<a name="EOF-"></a></pre>
+<p>&nbsp;</p>
+<br />
+<center>
+<img src="../../../images/h2o2.png">
+</center>
+</body>
+</html>