MayaChemTools

   1 #!/usr/bin/perl -w
   2 #
   3 # File: InfoPeriodicTableElements.pl
   4 # Author: Manish Sud <msud@san.rr.com>
   5 #
   6 # Copyright (C) 2019 Manish Sud. All rights reserved.
   7 #
   8 # This file is part of MayaChemTools.
   9 #
  10 # MayaChemTools is free software; you can redistribute it and/or modify it under
  11 # the terms of the GNU Lesser General Public License as published by the Free
  12 # Software Foundation; either version 3 of the License, or (at your option) any
  13 # later version.
  14 #
  15 # MayaChemTools is distributed in the hope that it will be useful, but without
  16 # any warranty; without even the implied warranty of merchantability of fitness
  17 # for a particular purpose.  See the GNU Lesser General Public License for more
  18 # details.
  19 #
  20 # You should have received a copy of the GNU Lesser General Public License
  21 # along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or
  22 # write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,
  23 # Boston, MA, 02111-1307, USA.
  24 #
  25 
  26 use strict;
  27 use FindBin; use lib "$FindBin::Bin/../lib";
  28 use Getopt::Long;
  29 use File::Basename;
  30 use Text::ParseWords;
  31 use Benchmark;
  32 use FileUtil;
  33 use TextUtil;
  34 use PeriodicTable;
  35 
  36 my($ScriptName, %Options, $StartTime, $EndTime, $TotalTime);
  37 
  38 # Autoflush STDOUT
  39 $| = 1;
  40 
  41 # Starting message...
  42 $ScriptName = basename($0);
  43 print "\n$ScriptName: Starting...\n\n";
  44 $StartTime = new Benchmark;
  45 
  46 # Get the options and setup script...
  47 SetupScriptUsage();
  48 if ($Options{help}) {
  49   die GetUsageFromPod("$FindBin::Bin/$ScriptName");
  50 }
  51 
  52 print "Processing options...\n";
  53 my(%OptionsInfo);
  54 ProcessOptions();
  55 
  56 ListElementProperties();
  57 print "\n$ScriptName:Done...\n\n";
  58 
  59 $EndTime = new Benchmark;
  60 $TotalTime = timediff ($EndTime, $StartTime);
  61 print "Total time: ", timestr($TotalTime), "\n";
  62 
  63 ###############################################################################
  64 
  65 # List atomic properties for elements...
  66 sub ListElementProperties {
  67   my($ElementID, $ElementDataRef, $PropertyName, $PropertyValue, $PropertyUnits, $PropertyUnitsRef, @PropertyLabels, @PropertyValues);
  68 
  69   print "Listing information for periodic table element(s)...\n";
  70 
  71   if ($OptionsInfo{FileOutput}) {
  72     print "Generating file $OptionsInfo{OutFileName}...\n";
  73     open OUTFILE, ">$OptionsInfo{OutFileName}" or die "Couldn't open $OptionsInfo{OutFileName}: $!\n";
  74   }
  75 
  76   # Setup property labels...
  77   @PropertyLabels = ();
  78   $PropertyUnitsRef = PeriodicTable::GetElementPropertiesNamesAndUnits();
  79   for $PropertyName (@{$OptionsInfo{SpecifiedProperies}}) {
  80     $PropertyUnits = (exists $PropertyUnitsRef->{$PropertyName}) ? $PropertyUnitsRef->{$PropertyName} : '';
  81     if ($PropertyName =~ /^NaturalIsotopeData$/i) {
  82       push @PropertyLabels, qw(MassNumber: RelativeAtomicMass: NaturalAbundance:);
  83     }
  84     else {
  85       push @PropertyLabels, ($PropertyUnits ? "$PropertyName ($PropertyUnits):" : "$PropertyName:");
  86     }
  87   }
  88 
  89   if ($OptionsInfo{ElementRowsOutput}) {
  90     ListHeaderRowData(\@PropertyLabels);
  91   }
  92 
  93   # Go over specified properties...
  94   for $ElementID (@{$OptionsInfo{SpecifiedElementIDs}}) {
  95     $ElementDataRef = PeriodicTable::GetElementPropertiesData($ElementID);
  96 
  97     if (!$OptionsInfo{ElementRowsOutput}) {
  98       if ($OptionsInfo{FileOutput}) {
  99         print OUTFILE "\nListing atomic properties for element $ElementID...\n\n";
 100       }
 101       else {
 102         print "\nListing atomic properties for element $ElementID...\n\n";
 103       }
 104     }
 105 
 106     # Collect data..
 107     @PropertyValues = ();
 108     for $PropertyName (@{$OptionsInfo{SpecifiedProperies}}) {
 109       if ($PropertyName =~ /^NaturalIsotopeData$/i) {
 110         push @PropertyValues, SetupIsotopeData($ElementID);
 111       }
 112       else {
 113         $PropertyValue = $ElementDataRef->{$PropertyName};
 114         if (IsFloat($PropertyValue)) {
 115           $PropertyValue = sprintf("%.$OptionsInfo{Precision}f", $PropertyValue) + 0;
 116         }
 117         push @PropertyValues, $PropertyValue;
 118       }
 119     }
 120     # List data...
 121     ListElementData(\@PropertyLabels, \@PropertyValues);
 122   }
 123   if ($OptionsInfo{FileOutput}) {
 124     close OUTFILE;
 125   }
 126   print "\n";
 127 }
 128 
 129 # List data for an element...
 130 sub ListElementData {
 131   my($DataLabelRef, $DataValueRef) = @_;
 132   my($Index, $Line, $Value);
 133 
 134   if ($OptionsInfo{ElementRowsOutput}) {
 135     $Line = '';
 136     # Format data...
 137     if ($OptionsInfo{OutQuote} || $Options{outdelim} !~ /^comma$/i) {
 138       $Line = JoinWords($DataValueRef, $OptionsInfo{OutDelim}, $OptionsInfo{OutQuote});
 139     }
 140     else {
 141       # Always quote values containing commas...
 142       $Line = ($DataValueRef->[0] =~ /\,/) ? qq("$DataValueRef->[0]") : $DataValueRef->[0];
 143       for $Index (1 .. $#{$DataValueRef} ) {
 144         $Value = $DataValueRef->[$Index];
 145         if ($Value =~ /\,/) {
 146           $Value = qq("$Value");
 147         }
 148         $Line .= $OptionsInfo{OutDelim} . $Value;
 149       }
 150     }
 151     if ($OptionsInfo{FileOutput}) {
 152       print OUTFILE "$Line\n";
 153     }
 154     else {
 155       print "$Line\n";
 156     }
 157   }
 158   else {
 159     # Format and list data...
 160     $Line = '';
 161     for $Index (0 .. $#{$DataLabelRef} ) {
 162       $Line = $DataLabelRef->[$Index] . ' ' . $DataValueRef->[$Index];
 163       if ($OptionsInfo{FileOutput}) {
 164         print OUTFILE "$Line\n";
 165       }
 166       else {
 167         print "$Line\n";
 168       }
 169     }
 170   }
 171 }
 172 
 173 # List data for an element...
 174 sub ListHeaderRowData {
 175   my($DataLabelRef) = @_;
 176   my($Line);
 177 
 178   # Format data...
 179   $Line = JoinWords($DataLabelRef, $OptionsInfo{OutDelim}, $OptionsInfo{OutQuote});
 180   $Line =~ s/\://g;
 181   # List data...
 182   if ($OptionsInfo{FileOutput}) {
 183     print OUTFILE "$Line\n";
 184   }
 185   else {
 186     print "$Line\n";
 187   }
 188 }
 189 
 190 # Setup isotope data strings...
 191 sub SetupIsotopeData {
 192   my($ElementID) = @_;
 193   my($MassNumber, $RelativeAtomicMass, $NaturalAbundance, $NaturalIsotopeDataRef, @MassNumbers, @RelativeAtomicMasses, @NaturalAbundances);
 194 
 195   # Get natural isotope data: MassNumber, RelativeAtomicMass and NaturalAbundance
 196   @MassNumbers = (); @RelativeAtomicMasses = (); @NaturalAbundances = ();
 197   $NaturalIsotopeDataRef = PeriodicTable::GetElementNaturalIsotopesData($ElementID);
 198   for $MassNumber (sort {$a <=> $b} keys %{$NaturalIsotopeDataRef}) {
 199     $RelativeAtomicMass = $NaturalIsotopeDataRef->{$MassNumber}{RelativeAtomicMass};
 200     $NaturalAbundance = $NaturalIsotopeDataRef->{$MassNumber}{NaturalAbundance};
 201     push @MassNumbers, $MassNumber;
 202     $RelativeAtomicMass = ($RelativeAtomicMass > 0) ? (sprintf("%.$OptionsInfo{Precision}f", $RelativeAtomicMass) + 0) : '';
 203     push @RelativeAtomicMasses, $RelativeAtomicMass;
 204     $NaturalAbundance = ($NaturalAbundance > 0) ? (sprintf("%.$OptionsInfo{Precision}f", $NaturalAbundance) + 0) : '';
 205     push @NaturalAbundances, $NaturalAbundance;
 206   }
 207   $MassNumber = JoinWords(\@MassNumbers, ",", 0);
 208   $RelativeAtomicMass = JoinWords(\@RelativeAtomicMasses, ",", 0);
 209   $NaturalAbundance = JoinWords(\@NaturalAbundances, ",", 0);
 210   return ($MassNumber, $RelativeAtomicMass, $NaturalAbundance);
 211 }
 212 
 213 # Get propery names from categories...
 214 sub GetPropertyNamesFromCategories {
 215   my($CategoryName) = @_;
 216   my(@PropertyNames);
 217 
 218   @PropertyNames = ();
 219   if ($CategoryName =~ /^Basic$/i) {
 220     @PropertyNames = ('AtomicNumber', 'ElementSymbol', 'ElementName', 'AtomicWeight', 'GroundStateConfiguration', 'GroupNumber', 'PeriodNumber', 'FirstIonizationEnergy');
 221   } elsif ($CategoryName =~ /^BasicAndNaturalIsotope$/i) {
 222     # Natural isotope data includes: 'MassNumber', 'RelativeAtomicMass', 'NaturalAbundance'
 223     @PropertyNames = ('AtomicNumber', 'ElementSymbol', 'ElementName', 'AtomicWeight', 'GroundStateConfiguration', 'GroupNumber', 'PeriodNumber', 'FirstIonizationEnergy', 'NaturalIsotopeData');
 224   } elsif ($CategoryName =~ /^NaturalIsotope$/i) {
 225     @PropertyNames = ('AtomicNumber', 'ElementSymbol', 'ElementName', 'NaturalIsotopeData');
 226   }
 227 
 228   return @PropertyNames;
 229 }
 230 
 231 # Process option values...
 232 sub ProcessOptions {
 233   %OptionsInfo = ();
 234 
 235   $OptionsInfo{Mode} = $Options{mode};
 236 
 237   $OptionsInfo{OutDelim} = ($Options{outdelim} =~ /^tab$/i ) ? "\t" : (($Options{outdelim} =~ /^semicolon$/i) ? "\;" : "\,");
 238   $OptionsInfo{OutQuote} = ($Options{quote} =~ /^yes$/i) ? 1 : 0;
 239 
 240   $OptionsInfo{Overwrite} = defined $Options{overwrite} ? $Options{overwrite} : undef;
 241   $OptionsInfo{OutFileRoot} = defined $Options{root} ? $Options{root} : undef;
 242 
 243   $OptionsInfo{Output} = $Options{output};
 244   $OptionsInfo{OutputStyle} = $Options{outputstyle};
 245 
 246   $OptionsInfo{ElementRowsOutput} = ($Options{outputstyle} =~ /^ElementRows$/i) ? 1 : 0;
 247   $OptionsInfo{FileOutput} = ($Options{output} =~ /^File$/i) ? 1 : 0;
 248 
 249   $OptionsInfo{Precision} = $Options{precision};
 250 
 251   my($ElementID, @ElementIDs, @GroupElements, @PeriodElements, %GroupNamesMap);
 252 
 253   @{$OptionsInfo{SpecifiedElementIDs}} = ();
 254   if (@ARGV >=1 && ($Options{mode} =~ /^All$/i) ) {
 255     warn "Warning: Ignoring comman line element IDs: Not valid for All value of \"-m --mode\" option...\n";
 256   }
 257 
 258   # Set up element IDs except for All mode...
 259   @ElementIDs = ();
 260   %GroupNamesMap = ();
 261 
 262   if (@ARGV >=1 ) {
 263     if ($Options{mode} !~ /^All$/i) {
 264       push @ElementIDs, @ARGV;
 265     }
 266   }
 267   else {
 268     # Setup mode specified default values...
 269     my($Nothing);
 270     MODE: {
 271         if ($Options{mode} =~ /^ElementID$/i) { push @ElementIDs, 'H'; last MODE; };
 272         if ($Options{mode} =~ /^AmericanGroupLabel$/i) { push @ElementIDs, 'IA'; last MODE; };
 273         if ($Options{mode} =~ /^EuropeanGroupLabel$/i) { push @ElementIDs, 'IA'; last MODE; };
 274         if ($Options{mode} =~ /^GroupNumber$/i) { push @ElementIDs, '1'; last MODE; };
 275         if ($Options{mode} =~ /^GroupName$/i) { push @ElementIDs, 'AlkaliMetals'; last MODE; };
 276         if ($Options{mode} =~ /^PeriodNumber$/i) { push @ElementIDs, '1'; last MODE; };
 277         $Nothing = 1;
 278       }
 279   }
 280   if ($Options{mode} =~ /^GroupName$/i) {
 281     # Map group names to what's stored in Perioidic table data file...
 282     %GroupNamesMap = ('alkalimetals', 'Alkali metal', 'alkalineearthmetals', 'Alkaline earth metal', 'chalcogens', 'Chalcogen', 'coinagemetals', 'Coinage metal', 'halogens', 'Halogen', 'noblegases', 'Noble gas', 'pnictogens', 'Pnictogen', 'lanthanides', 'Lanthanoid', 'lanthanoids', 'Lanthanoid', 'actinides', 'Actinoid', 'actinoids', 'Actinoid' );
 283   }
 284 
 285   # Generate list of elements...
 286   if ($Options{mode} =~ /^All$/i) {
 287     push @{$OptionsInfo{SpecifiedElementIDs}}, PeriodicTable::GetElements();
 288   }
 289   else {
 290     ELEMENTID: for $ElementID (@ElementIDs) {
 291       if ($Options{mode} =~ /^ElementID$/i) {
 292         if (PeriodicTable::IsElement($ElementID)) {
 293           push @{$OptionsInfo{SpecifiedElementIDs}}, $ElementID;
 294         }
 295         else {
 296           warn "Ignoring element ID, $ElementID, specified using command line parameter: Unknown element ID...\n";
 297           next ELEMENTID;
 298         }
 299       }
 300       elsif ($Options{mode} =~ /^AmericanGroupLabel$/i) {
 301         if (@GroupElements = PeriodicTable::GetElementsByAmericanStyleGroupLabel($ElementID)) {
 302           push @{$OptionsInfo{SpecifiedElementIDs}}, @GroupElements;
 303         }
 304         else {
 305           warn "Ignoring American style group label, $ElementID, specified using command line parameter: Unknown group label...\n";
 306           next ELEMENTID;
 307         }
 308       }
 309       elsif ($Options{mode} =~ /^EuropeanGroupLabel$/i) {
 310         if (@GroupElements = PeriodicTable::GetElementsByEuropeanStyleGroupLabel($ElementID)) {
 311           push @{$OptionsInfo{SpecifiedElementIDs}}, @GroupElements;
 312         }
 313         else {
 314           warn "Ignoring American style group label, $ElementID, specified using command line parameter: Unknown group label...\n";
 315           next ELEMENTID;
 316         }
 317       }
 318       elsif ($Options{mode} =~ /^GroupNumber$/i) {
 319         if (@GroupElements = PeriodicTable::GetElementsByGroupNumber($ElementID)) {
 320           push @{$OptionsInfo{SpecifiedElementIDs}}, @GroupElements;
 321         }
 322         else {
 323           warn "Ignoring group number, $ElementID, specified using command line parameter: Unknown group number...\n";
 324           next ELEMENTID;
 325         }
 326       }
 327       elsif ($Options{mode} =~ /^GroupName$/i) {
 328         if (exists $GroupNamesMap{lc($ElementID)}) {
 329           @GroupElements = PeriodicTable::GetElementsByGroupName($GroupNamesMap{lc($ElementID)});
 330           push @{$OptionsInfo{SpecifiedElementIDs}}, @GroupElements;
 331         }
 332         else {
 333           warn "Ignoring group name, $ElementID, specified using command line parameter: Unknown group name...\n";
 334           next ELEMENTID;
 335         }
 336       }
 337       elsif ($Options{mode} =~ /^PeriodNumber$/i) {
 338         if (@GroupElements = PeriodicTable::GetElementsByPeriodNumber($ElementID)) {
 339           push @{$OptionsInfo{SpecifiedElementIDs}}, @GroupElements;
 340         }
 341         else {
 342           warn "Ignoring period number, $ElementID, specified using command line parameter: Unknown period number...\n";
 343           next ELEMENTID;
 344         }
 345       }
 346     }
 347   }
 348   SetupSpecifiedProperties();
 349 
 350   # Setup output file name...
 351   $OptionsInfo{OutFileName} = '';
 352   if ($OptionsInfo{FileOutput}) {
 353     my($OutFileRoot, $OutFileExt);
 354 
 355     $OutFileRoot = '';
 356     $OutFileExt = "csv";
 357     if ($Options{outdelim} =~ /^tab$/i) {
 358       $OutFileExt = "tsv";
 359     }
 360     if ($Options{root}) {
 361       my ($RootFileDir, $RootFileName, $RootFileExt) = ParseFileName($Options{root});
 362       if ($RootFileName && $RootFileExt) {
 363         $OutFileRoot = $RootFileName;
 364       }
 365       else {
 366         $OutFileRoot = $Options{root};
 367       }
 368     }
 369     else {
 370       $OutFileRoot = 'PeriodicTableElementsInfo' . $Options{mode};
 371     }
 372     $OptionsInfo{OutFileName} = $OutFileRoot . '.' . $OutFileExt;
 373     if (!$Options{overwrite}) {
 374       if (-e $OptionsInfo{OutFileName}) {
 375         die "Error: Output file, $OptionsInfo{OutFileName}, already exists.\nUse \-o --overwrite\ option or specify a different name using \"-r --root\" option.\n";
 376       }
 377     }
 378   }
 379 }
 380 
 381 # Setup properties to list...
 382 sub SetupSpecifiedProperties {
 383   $OptionsInfo{Properties} = defined $Options{properties} ? $Options{properties} : undef;
 384 
 385   $OptionsInfo{PropertiesMode} = $Options{propertiesmode};
 386   $OptionsInfo{PropertiesListing} = $Options{propertieslisting};
 387 
 388   # Make sure atomic appropriate properties/category names are specified...
 389   @{$OptionsInfo{SpecifiedProperies}} = ();
 390   if ($Options{properties} && ($Options{propertiesmode} =~ /^All$/i) ) {
 391     warn "Warning: Ignoring values specifed by \"-p --properties\" option: Not valid for All value of \"--propertiesmode\" option...\n";
 392   }
 393   if ($Options{propertiesmode} =~ /^All$/i) {
 394     if ($Options{propertieslisting} =~ /^Alphabetical$/i) {
 395       push @{$OptionsInfo{SpecifiedProperies}}, PeriodicTable::GetElementPropertiesNames('Alphabetical');
 396     }
 397     else {
 398       push @{$OptionsInfo{SpecifiedProperies}}, PeriodicTable::GetElementPropertiesNames();
 399     }
 400     push @{$OptionsInfo{SpecifiedProperies}}, 'NaturalIsotopeData';
 401   }
 402   else {
 403     if ($Options{properties}) {
 404       if ($Options{propertiesmode} =~ /^Categories$/i) {
 405         # Check category name...
 406         if ($Options{properties} !~ /^(Basic|BasicAndNaturalIsotope|NaturalIsotope)$/i) {
 407           die "Error: The value specified, $Options{properties}, for option \"-p --properties\" in conjunction with \"Categories\" value for option \"--propertiesmode\" is not valid. Allowed values: Basic, BasicAndNaturalIsotope, NaturalIsotope\n";
 408         }
 409         # Set propertynames...
 410         push @{$OptionsInfo{SpecifiedProperies}}, GetPropertyNamesFromCategories($Options{properties});
 411       }
 412       else {
 413         # Check property names..
 414         my($Name, $PropertyName, @Names);
 415         @Names = split /\,/, $Options{properties};
 416         NAME: for $Name (@Names) {
 417           $PropertyName = RemoveLeadingAndTrailingWhiteSpaces($Name);
 418           if ($PropertyName =~ /^NaturalIsotopeData$/i) {
 419             push @{$OptionsInfo{SpecifiedProperies}}, $PropertyName;
 420             next NAME;
 421           }
 422           if (PeriodicTable::IsElementProperty($PropertyName)) {
 423             push @{$OptionsInfo{SpecifiedProperies}}, $PropertyName;
 424           }
 425           else {
 426             warn "Warning: Ignoring value, $Name, specifed by \"-p --properties\" option: Unknown property name...\n";
 427           }
 428         }
 429         if ($Options{propertieslisting} =~ /^Alphabetical$/i) {
 430           # AtomicNumber, ElementSymbol and ElementName are always listed first and
 431           # NaturalIsotopeData in the end...
 432           my($AtomicNumberPresent, $ElementSymbolPresent, $ElementNamePresent, $NaturalIsotopeDataPresent, @AlphabeticalProperties, %PropertiesMap);
 433           %PropertiesMap = ();
 434           @AlphabeticalProperties = ();
 435           $AtomicNumberPresent = 0; $ElementSymbolPresent = 0; $ElementNamePresent = 0; $NaturalIsotopeDataPresent = 0;
 436           NAME: for $Name (@{$OptionsInfo{SpecifiedProperies}}) {
 437             if ($Name =~ /^AtomicNumber$/i) {
 438               $AtomicNumberPresent = 1;
 439               next NAME;
 440             }
 441             if ($Name =~ /^ElementSymbol$/i) {
 442               $ElementSymbolPresent = 1;
 443               next NAME;
 444             }
 445             if ($Name =~ /^ElementName$/i) {
 446               $ElementNamePresent = 1;
 447               next NAME;
 448             }
 449             if ($Name =~ /^NaturalIsotopeData$/i) {
 450               $NaturalIsotopeDataPresent = 1;
 451               next NAME;
 452             }
 453             $PropertiesMap{$Name} = $Name;
 454           }
 455           # Setup the alphabetical list...
 456           if ($AtomicNumberPresent) {
 457             push @AlphabeticalProperties, 'AtomicNumber';
 458           }
 459           if ($ElementSymbolPresent) {
 460             push @AlphabeticalProperties, 'ElementSymbol';
 461           }
 462           if ($ElementNamePresent) {
 463             push @AlphabeticalProperties, 'ElementName';
 464           }
 465           for $Name (sort keys %PropertiesMap) {
 466             push @AlphabeticalProperties, $Name;
 467           }
 468           if ($NaturalIsotopeDataPresent) {
 469             push @AlphabeticalProperties, 'NaturalIsotopeData';
 470           }
 471           @{$OptionsInfo{SpecifiedProperies}} = ();
 472           push @{$OptionsInfo{SpecifiedProperies}}, @AlphabeticalProperties;
 473         }
 474       }
 475     }
 476     else {
 477       # Set default value...
 478       push @{$OptionsInfo{SpecifiedProperies}}, GetPropertyNamesFromCategories('Basic');
 479     }
 480   }
 481 }
 482 
 483 # Setup script usage  and retrieve command line arguments specified using various options...
 484 sub SetupScriptUsage {
 485 
 486   # Retrieve all the options...
 487   %Options = ();
 488   $Options{mode} = "ElementID";
 489   $Options{outdelim} = "comma";
 490   $Options{output} = "STDOUT";
 491   $Options{outputstyle} = "ElementBlock";
 492   $Options{precision} = 4;
 493   $Options{propertiesmode} = "Categories";
 494   $Options{propertieslisting} = "ByGroup";
 495   $Options{quote} = "yes";
 496 
 497   if (!GetOptions(\%Options, "help|h", "mode|m=s", "outdelim=s", "output=s", "outputstyle=s", "overwrite|o", "precision=i", "properties|p=s", "propertieslisting=s", "propertiesmode=s", "quote|q=s", "root|r=s", "workingdir|w=s")) {
 498     die "\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n";
 499   }
 500   if ($Options{workingdir}) {
 501     if (! -d $Options{workingdir}) {
 502       die "Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n";
 503     }
 504     chdir $Options{workingdir} or die "Error: Couldn't chdir $Options{workingdir}: $! \n";
 505   }
 506   if ($Options{mode} !~ /^(ElementID|AmericanGroupLabel|EuropeanGroupLabel|GroupNumber|GroupName|PeriodNumber|All)$/i) {
 507     die "Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: ElementID, AmericanGroupLabel, EuropeanGroupLabel, GroupNumber, GroupName, PeriodNumber, or All\n";
 508   }
 509   if ($Options{outdelim} !~ /^(comma|semicolon|tab)$/i) {
 510     die "Error: The value specified, $Options{outdelim}, for option \"--outdelim\" is not valid. Allowed values: comma, tab, or semicolon\n";
 511   }
 512   if ($Options{output} !~ /^(STDOUT|File)$/i) {
 513     die "Error: The value specified, $Options{output}, for option \"--output\" is not valid. Allowed values: STDOUT or File\n";
 514   }
 515   if ($Options{outputstyle} !~ /^(ElementBlock|ElementRows)$/i) {
 516     die "Error: The value specified, $Options{outputstyle}, for option \"--outputstyle\" is not valid. Allowed values: ElementBlock or ElementRows\n";
 517   }
 518   if (!IsPositiveInteger($Options{precision})) {
 519     die "Error: The value specified, $Options{precision}, for option \"-p --precision\" is not valid. Allowed values: > 0 \n";
 520   }
 521   if ($Options{propertiesmode} !~ /^(Categories|Names|All)$/i) {
 522     die "Error: The value specified, $Options{propertiesmode}, for option \"--propertiesmode\" is not valid. Allowed values: Categories, Names, or All\n";
 523   }
 524   if ($Options{propertieslisting} !~ /^(ByGroup|Alphabetical)$/i) {
 525     die "Error: The value specified, $Options{propertieslisting}, for option \"--propertieslisting\" is not valid. Allowed values: ByGroup, or Alphabetical\n";
 526   }
 527   if ($Options{quote} !~ /^(yes|no)$/i) {
 528     die "Error: The value specified, $Options{quote}, for option \"-q --quote\" is not valid. Allowed values: yes or no\n";
 529   }
 530 }
 531