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comparison mayachemtools/bin/MergeTextFilesWithSD.pl @ 0:73ae111cf86f draft
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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 11:55:01 -0500 |
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| -1:000000000000 | 0:73ae111cf86f |
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| 1 #!/usr/bin/perl -w | |
| 2 # | |
| 3 # $RCSfile: MergeTextFilesWithSD.pl,v $ | |
| 4 # $Date: 2015/02/28 20:46:20 $ | |
| 5 # $Revision: 1.39 $ | |
| 6 # | |
| 7 # Author: Manish Sud <msud@san.rr.com> | |
| 8 # | |
| 9 # Copyright (C) 2015 Manish Sud. All rights reserved. | |
| 10 # | |
| 11 # This file is part of MayaChemTools. | |
| 12 # | |
| 13 # MayaChemTools is free software; you can redistribute it and/or modify it under | |
| 14 # the terms of the GNU Lesser General Public License as published by the Free | |
| 15 # Software Foundation; either version 3 of the License, or (at your option) any | |
| 16 # later version. | |
| 17 # | |
| 18 # MayaChemTools is distributed in the hope that it will be useful, but without | |
| 19 # any warranty; without even the implied warranty of merchantability of fitness | |
| 20 # for a particular purpose. See the GNU Lesser General Public License for more | |
| 21 # details. | |
| 22 # | |
| 23 # You should have received a copy of the GNU Lesser General Public License | |
| 24 # along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or | |
| 25 # write to the Free Software Foundation Inc., 59 Temple Place, Suite 330, | |
| 26 # Boston, MA, 02111-1307, USA. | |
| 27 # | |
| 28 | |
| 29 use strict; | |
| 30 use FindBin; use lib "$FindBin::Bin/../lib"; | |
| 31 use Getopt::Long; | |
| 32 use File::Basename; | |
| 33 use Text::ParseWords; | |
| 34 use Benchmark; | |
| 35 use FileHandle; | |
| 36 use SDFileUtil; | |
| 37 use FileUtil; | |
| 38 use TextUtil; | |
| 39 | |
| 40 my($ScriptName, %Options, $StartTime, $EndTime, $TotalTime); | |
| 41 | |
| 42 # Autoflush STDOUT | |
| 43 $| = 1; | |
| 44 | |
| 45 # Starting message... | |
| 46 $ScriptName = basename $0; | |
| 47 print "\n$ScriptName:Starting...\n\n"; | |
| 48 $StartTime = new Benchmark; | |
| 49 | |
| 50 # Get the options and setup script... | |
| 51 SetupScriptUsage(); | |
| 52 if ($Options{help} || @ARGV < 1) { | |
| 53 die GetUsageFromPod("$FindBin::Bin/$ScriptName"); | |
| 54 } | |
| 55 | |
| 56 my($SDFile, @TextFilesList); | |
| 57 @TextFilesList = ExpandFileNames(\@ARGV, "csv tsv"); | |
| 58 | |
| 59 if (@TextFilesList < 2) { | |
| 60 die "Error: Specify one or more text files.\n"; | |
| 61 } | |
| 62 $SDFile = shift @TextFilesList; | |
| 63 | |
| 64 # Process options... | |
| 65 print "Processing options...\n"; | |
| 66 my(%OptionsInfo); | |
| 67 ProcessOptions(); | |
| 68 | |
| 69 # Setup information about input files... | |
| 70 print "Checking input SD and text files...\n"; | |
| 71 my(%TextFilesInfo); | |
| 72 ProcessSDFileInfo(); | |
| 73 RetrieveTextFilesInfo(); | |
| 74 RetrieveColumnsAndKeysInfo(); | |
| 75 | |
| 76 # Merge files... | |
| 77 print "\nGenerating new SD file $OptionsInfo{NewSDFile}...\n"; | |
| 78 MergeTextFilesWithSD(); | |
| 79 | |
| 80 print "\n$ScriptName:Done...\n\n"; | |
| 81 | |
| 82 $EndTime = new Benchmark; | |
| 83 $TotalTime = timediff ($EndTime, $StartTime); | |
| 84 print "Total time: ", timestr($TotalTime), "\n"; | |
| 85 | |
| 86 ############################################################################### | |
| 87 | |
| 88 # Merge all valid Text files with SD file... | |
| 89 sub MergeTextFilesWithSD { | |
| 90 my($Index, $Line); | |
| 91 | |
| 92 open NEWSDFILE, ">$OptionsInfo{NewSDFile}" or die "Error: Couldn't open $OptionsInfo{NewSDFile}: $! \n"; | |
| 93 | |
| 94 open SDFILE, "$SDFile" or die "Error: Couldn't open $SDFile: $! \n"; | |
| 95 | |
| 96 @{$TextFilesInfo{FileHandle}} = (); | |
| 97 for $Index (0 .. $#TextFilesList) { | |
| 98 $TextFilesInfo{FileHandle}[$Index] = new FileHandle; | |
| 99 | |
| 100 open $TextFilesInfo{FileHandle}[$Index], "$TextFilesList[$Index]" or die "Error: Couldn't open $TextFilesList[$Index]: $! \n"; | |
| 101 GetTextLine($TextFilesInfo{FileHandle}[$Index]); | |
| 102 } | |
| 103 | |
| 104 if ($OptionsInfo{Keys}) { | |
| 105 MergeTextColumnValuesUsingKeys(\*NEWSDFILE, \*SDFILE); | |
| 106 } | |
| 107 else { | |
| 108 MergeTextColumnValues(\*NEWSDFILE, \*SDFILE); | |
| 109 } | |
| 110 | |
| 111 # Close all opened files... | |
| 112 close NEWSDFILE; | |
| 113 close SDFILE; | |
| 114 for $Index (0 .. $#TextFilesList) { | |
| 115 close $TextFilesInfo{FileHandle}[$Index]; | |
| 116 } | |
| 117 } | |
| 118 | |
| 119 # Merge the specified text columns into SD file... | |
| 120 sub MergeTextColumnValues { | |
| 121 my($NewSDFileRef, $SDFileRef) = @_; | |
| 122 my($Index, $Value, $CmpdString, $Line, $InDelim, $ColNum, $ColIndex, @ColLabels, @ColValues, @LineWords); | |
| 123 | |
| 124 while ($CmpdString = ReadCmpdString($SDFileRef)) { | |
| 125 $CmpdString =~ s/\$\$\$\$$//g; | |
| 126 print $NewSDFileRef "$CmpdString"; | |
| 127 | |
| 128 # Merge coulmn values from other text files... | |
| 129 @ColLabels = (); @ColValues = (); | |
| 130 for $Index (0 .. $#TextFilesList) { | |
| 131 push @ColLabels, @{$TextFilesInfo{ColToMergeLabels}[$Index]}; | |
| 132 $InDelim = $TextFilesInfo{InDelim}[$Index]; | |
| 133 | |
| 134 if ($Line = GetTextLine($TextFilesInfo{FileHandle}[$Index])) { | |
| 135 @LineWords = quotewords($InDelim, 0, $Line); | |
| 136 | |
| 137 for $ColNum (@{$TextFilesInfo{ColToMerge}[$Index]}) { | |
| 138 $Value = ($ColNum < @LineWords) ? $LineWords[$ColNum] : ""; | |
| 139 push @ColValues, $Value; | |
| 140 } | |
| 141 } | |
| 142 } | |
| 143 | |
| 144 for $ColIndex (0 .. $#ColLabels) { | |
| 145 print $NewSDFileRef "> <$ColLabels[$ColIndex]>\n$ColValues[$ColIndex]\n\n"; | |
| 146 } | |
| 147 print $NewSDFileRef "\$\$\$\$\n"; | |
| 148 } | |
| 149 } | |
| 150 | |
| 151 # Merge the specified text columns into SD file using keys... | |
| 152 sub MergeTextColumnValuesUsingKeys { | |
| 153 my($NewSDFileRef, $SDFileRef) = @_; | |
| 154 my($Index, $CmpdString, $Value, $InDelim, $KeyColNum, $KeyColValue, $Line, $ColIndex, $ColNum, @ColLabels, @ColValues, @LineWords, @CmpdLines, @TextFilesKeysToLinesMap, %DataFieldValues); | |
| 155 | |
| 156 # Retrieve text lines from all the text files... | |
| 157 @TextFilesKeysToLinesMap = (); | |
| 158 | |
| 159 for $Index (0 .. $#TextFilesList) { | |
| 160 $InDelim = $TextFilesInfo{InDelim}[$Index]; | |
| 161 %{$TextFilesKeysToLinesMap[$Index]} = (); | |
| 162 $KeyColNum = $TextFilesInfo{KeysToUse}[$Index]; | |
| 163 | |
| 164 while ($Line = GetTextLine($TextFilesInfo{FileHandle}[$Index])) { | |
| 165 @LineWords = quotewords($InDelim, 0, $Line); | |
| 166 | |
| 167 if ($KeyColNum < @LineWords) { | |
| 168 $KeyColValue = $LineWords[$KeyColNum]; | |
| 169 | |
| 170 if (length($KeyColValue)) { | |
| 171 if (exists($TextFilesKeysToLinesMap[$Index]{$KeyColValue})) { | |
| 172 warn "Warning: Ignoring line, $Line, in text file $TextFilesList[$Index]: Column key value, $KeyColValue, already exists\n"; | |
| 173 } | |
| 174 else { | |
| 175 @{$TextFilesKeysToLinesMap[$Index]{$KeyColValue}} = (); | |
| 176 push @{$TextFilesKeysToLinesMap[$Index]{$KeyColValue}}, @LineWords; | |
| 177 } | |
| 178 } | |
| 179 } | |
| 180 } | |
| 181 } | |
| 182 | |
| 183 while ($CmpdString = ReadCmpdString($SDFileRef)) { | |
| 184 @CmpdLines = split "\n", $CmpdString; | |
| 185 %DataFieldValues = GetCmpdDataHeaderLabelsAndValues(\@CmpdLines); | |
| 186 | |
| 187 if (exists($DataFieldValues{$OptionsInfo{SDKey}})) { | |
| 188 @ColLabels = (); @ColValues = (); | |
| 189 $CmpdString =~ s/\$\$\$\$$//g; | |
| 190 print $NewSDFileRef "$CmpdString"; | |
| 191 | |
| 192 $KeyColValue = $DataFieldValues{$OptionsInfo{SDKey}}; | |
| 193 | |
| 194 # Merge coulmn values from other text files... | |
| 195 for $Index (0 .. $#TextFilesList) { | |
| 196 push @ColLabels, @{$TextFilesInfo{ColToMergeLabels}[$Index]}; | |
| 197 @LineWords = (); | |
| 198 | |
| 199 if (exists($TextFilesKeysToLinesMap[$Index]{$KeyColValue})) { | |
| 200 push @LineWords, @{$TextFilesKeysToLinesMap[$Index]{$KeyColValue}}; | |
| 201 } | |
| 202 | |
| 203 for $ColNum (@{$TextFilesInfo{ColToMerge}[$Index]}) { | |
| 204 $Value = ($ColNum < @LineWords) ? $LineWords[$ColNum] : ""; | |
| 205 push @ColValues, $Value; | |
| 206 } | |
| 207 } | |
| 208 | |
| 209 for $ColIndex (0 .. $#ColLabels) { | |
| 210 $Value = (($ColIndex < @ColValues) && IsNotEmpty($ColValues[$ColIndex]) ) ? $ColValues[$ColIndex] : ""; | |
| 211 print $NewSDFileRef "> <$ColLabels[$ColIndex]>\n$Value\n\n"; | |
| 212 } | |
| 213 print $NewSDFileRef "\$\$\$\$\n"; | |
| 214 } | |
| 215 } | |
| 216 } | |
| 217 | |
| 218 # Retrieve text file columns and keys information for specified options... | |
| 219 sub RetrieveColumnsAndKeysInfo { | |
| 220 ProcessColumnsInfo(); | |
| 221 | |
| 222 if ($OptionsInfo{Keys}) { | |
| 223 ProcessKeysInfo(); | |
| 224 } | |
| 225 } | |
| 226 | |
| 227 # Process specified columns... | |
| 228 sub ProcessColumnsInfo { | |
| 229 my($Index, $Values, $ColIndex, $ColNum, $ColLabel, @Words); | |
| 230 | |
| 231 @{$TextFilesInfo{ColSpecified}} = (); | |
| 232 @{$TextFilesInfo{ColToMerge}} = (); | |
| 233 @{$TextFilesInfo{ColToMergeLabels}} = (); | |
| 234 @{$TextFilesInfo{ColToMergeNumToLabelMap}} = (); | |
| 235 | |
| 236 for $Index (0 .. $#TextFilesList) { | |
| 237 | |
| 238 @{$TextFilesInfo{ColSpecified}[$Index]} = (); | |
| 239 | |
| 240 $Values = "all"; | |
| 241 if ($OptionsInfo{Columns}) { | |
| 242 $Values = $OptionsInfo{ColValues}[$Index]; | |
| 243 } | |
| 244 | |
| 245 if ($Values =~ /all/i) { | |
| 246 if ($OptionsInfo{Mode} =~ /^colnum$/i) { | |
| 247 for $ColNum (1 .. $TextFilesInfo{ColCount}[$Index]) { | |
| 248 push @{$TextFilesInfo{ColSpecified}[$Index]}, $ColNum; | |
| 249 } | |
| 250 } else { | |
| 251 push @{$TextFilesInfo{ColSpecified}[$Index]}, @{$TextFilesInfo{ColLabels}[$Index]}; | |
| 252 } | |
| 253 } | |
| 254 else { | |
| 255 @Words = split ",", $Values; | |
| 256 push @{$TextFilesInfo{ColSpecified}[$Index]}, @Words; | |
| 257 } | |
| 258 | |
| 259 @{$TextFilesInfo{ColToMerge}[$Index]} = (); | |
| 260 %{$TextFilesInfo{ColToMergeNumToLabelMap}[$Index]} = (); | |
| 261 | |
| 262 if ($OptionsInfo{Mode} =~ /^collabel$/i) { | |
| 263 for $ColIndex (0 .. $#{$TextFilesInfo{ColSpecified}[$Index]}) { | |
| 264 $ColLabel = $TextFilesInfo{ColSpecified}[$Index][$ColIndex]; | |
| 265 | |
| 266 if (exists($TextFilesInfo{ColLabelToNumMap}[$Index]{$ColLabel})) { | |
| 267 $ColNum = $TextFilesInfo{ColLabelToNumMap}[$Index]{$ColLabel}; | |
| 268 push @{$TextFilesInfo{ColToMerge}[$Index]}, $ColNum; | |
| 269 $TextFilesInfo{ColToMergeNumToLabelMap}[$Index]{$ColNum} = $ColLabel; | |
| 270 } | |
| 271 else { | |
| 272 warn "Warning: Ignoring value, $ColLabel, specified using \"-c --column\" option: column name doesn't exist in $TextFilesList[$Index] \n"; | |
| 273 } | |
| 274 } | |
| 275 } | |
| 276 else { | |
| 277 for $ColIndex (0 .. $#{$TextFilesInfo{ColSpecified}[$Index]}) { | |
| 278 $ColNum = $TextFilesInfo{ColSpecified}[$Index][$ColIndex]; | |
| 279 | |
| 280 # Make sure it's a numeric value... | |
| 281 if (!IsPositiveInteger($ColNum)) { | |
| 282 warn "Warning: Ignoring value, $ColNum, specified using \"-c --column\" option: Allowed integer values: > 0\n"; | |
| 283 } | |
| 284 else { | |
| 285 if ($ColNum > 0 && $ColNum <= $TextFilesInfo{ColCount}[$Index]) { | |
| 286 $ColNum -= 1; | |
| 287 push @{$TextFilesInfo{ColToMerge}[$Index]}, $ColNum; | |
| 288 $TextFilesInfo{ColToMergeNumToLabelMap}[$Index]{$ColNum} = $TextFilesInfo{ColLabels}[$Index][$ColNum]; | |
| 289 } | |
| 290 else { | |
| 291 warn "Warning: Ignoring value, $ColNum, specified using \"-c --column\" option: column number doesn't exist in $TextFilesList[$Index] \n"; | |
| 292 } | |
| 293 } | |
| 294 } | |
| 295 } | |
| 296 | |
| 297 my (@TextFilesColToMergeSorted) = sort { $a <=> $b } @{$TextFilesInfo{ColToMerge}[$Index]}; | |
| 298 | |
| 299 @{$TextFilesInfo{ColToMerge}[$Index]} = (); | |
| 300 push @{$TextFilesInfo{ColToMerge}[$Index]}, @TextFilesColToMergeSorted; | |
| 301 | |
| 302 # Set up the labels... | |
| 303 @{$TextFilesInfo{ColToMergeLabels}[$Index]} = (); | |
| 304 for $ColNum (@TextFilesColToMergeSorted) { | |
| 305 push @{$TextFilesInfo{ColToMergeLabels}[$Index]}, $TextFilesInfo{ColToMergeNumToLabelMap}[$Index]{$ColNum}; | |
| 306 } | |
| 307 } | |
| 308 } | |
| 309 | |
| 310 # Process specified keys.... | |
| 311 sub ProcessKeysInfo { | |
| 312 my($Index, $ColNum, $ColLabel, $Key); | |
| 313 | |
| 314 @{$TextFilesInfo{KeysSpecified}} = (); | |
| 315 @{$TextFilesInfo{KeysToUse}} = (); | |
| 316 | |
| 317 for $Index (0 .. $#TextFilesList) { | |
| 318 $Key = $OptionsInfo{KeyValues}[$Index]; | |
| 319 | |
| 320 $TextFilesInfo{KeysSpecified}[$Index] = $Key; | |
| 321 $TextFilesInfo{KeysToUse}[$Index] = -1; | |
| 322 | |
| 323 if ($OptionsInfo{Mode} =~ /^collabel$/i) { | |
| 324 $ColLabel = $Key; | |
| 325 | |
| 326 if (exists($TextFilesInfo{ColLabelToNumMap}[$Index]{$ColLabel})) { | |
| 327 $TextFilesInfo{KeysToUse}[$Index] = $TextFilesInfo{ColLabelToNumMap}[$Index]{$ColLabel}; | |
| 328 } | |
| 329 else { | |
| 330 warn "Warning: Ignoring value, $ColLabel, specified using \"-k --keys\" option: column name doesn't exist in $TextFilesList[$Index] \n"; | |
| 331 } | |
| 332 } | |
| 333 else { | |
| 334 $ColNum = $Key; | |
| 335 if (!IsPositiveInteger($ColNum)) { | |
| 336 warn "Warning: Ignoring value, $ColNum, specified using \"-k --keys\" option: Allowed integer values: > 0 \n"; | |
| 337 } | |
| 338 else { | |
| 339 if ($ColNum > 0 && $ColNum <= $TextFilesInfo{ColCount}[$Index]) { | |
| 340 $TextFilesInfo{KeysToUse}[$Index] = $ColNum - 1; | |
| 341 } | |
| 342 else { | |
| 343 warn "Warning: Ignoring value, $ColNum, specified using \"-k --keys\" option: column number doesn't exist in $TextFilesList[$Index] \n"; | |
| 344 } | |
| 345 } | |
| 346 } | |
| 347 } | |
| 348 | |
| 349 # Modify columns to merge list to make sure the columns identified by key are taken off the list | |
| 350 my(@TextFilesColToMergeFiltered, @TextFilesColToMergeLabelsFiltered); | |
| 351 | |
| 352 for $Index (0 .. $#TextFilesList) { | |
| 353 @TextFilesColToMergeFiltered = (); | |
| 354 @TextFilesColToMergeLabelsFiltered = (); | |
| 355 | |
| 356 for $ColNum (@{$TextFilesInfo{ColToMerge}[$Index]}) { | |
| 357 if ($TextFilesInfo{KeysToUse}[$Index] != $ColNum) { | |
| 358 push @TextFilesColToMergeFiltered, $ColNum; | |
| 359 push @TextFilesColToMergeLabelsFiltered, $TextFilesInfo{ColToMergeNumToLabelMap}[$Index]{$ColNum}; | |
| 360 } | |
| 361 } | |
| 362 | |
| 363 @{$TextFilesInfo{ColToMerge}[$Index]} = (); | |
| 364 push @{$TextFilesInfo{ColToMerge}[$Index]}, @TextFilesColToMergeFiltered; | |
| 365 | |
| 366 @{$TextFilesInfo{ColToMergeLabels}[$Index]} = (); | |
| 367 push @{$TextFilesInfo{ColToMergeLabels}[$Index]}, @TextFilesColToMergeLabelsFiltered; | |
| 368 } | |
| 369 } | |
| 370 | |
| 371 # Check SD file... | |
| 372 sub ProcessSDFileInfo { | |
| 373 if (!CheckFileType($SDFile, "sd sdf")) { | |
| 374 die "Error: Invalid first file $SDFile: It's not a SD file\n"; | |
| 375 } | |
| 376 if (!(-e $SDFile)) { | |
| 377 die "Error: SDFile $SDFile doesn't exist\n"; | |
| 378 } | |
| 379 } | |
| 380 | |
| 381 # Retrieve information about input text files... | |
| 382 sub RetrieveTextFilesInfo { | |
| 383 my($Index, $TextFile, $FileDir, $FileName, $FileExt, $InDelim, $Line, $ColNum, $ColLabel, $FileNotOkayCount, @ColLabels,); | |
| 384 | |
| 385 %TextFilesInfo = (); | |
| 386 | |
| 387 @{$TextFilesInfo{FileOkay}} = (); | |
| 388 @{$TextFilesInfo{ColCount}} = (); | |
| 389 @{$TextFilesInfo{ColLabels}} = (); | |
| 390 @{$TextFilesInfo{ColLabelToNumMap}} = (); | |
| 391 @{$TextFilesInfo{InDelim}} = (); | |
| 392 | |
| 393 $FileNotOkayCount = 0; | |
| 394 | |
| 395 FILELIST: for $Index (0 .. $#TextFilesList) { | |
| 396 $TextFile = $TextFilesList[$Index]; | |
| 397 | |
| 398 $TextFilesInfo{FileOkay}[$Index] = 0; | |
| 399 $TextFilesInfo{ColCount}[$Index] = 0; | |
| 400 $TextFilesInfo{InDelim}[$Index] = ""; | |
| 401 | |
| 402 @{$TextFilesInfo{ColLabels}[$Index]} = (); | |
| 403 %{$TextFilesInfo{ColLabelToNumMap}[$Index]} = (); | |
| 404 | |
| 405 if (!(-e $TextFile)) { | |
| 406 warn "Warning: Ignoring file $TextFile: It doesn't exist\n"; | |
| 407 $FileNotOkayCount++; | |
| 408 next FILELIST; | |
| 409 } | |
| 410 if (!CheckFileType($TextFile, "csv tsv")) { | |
| 411 warn "Warning: Ignoring file $TextFile: It's not a csv or tsv file\n"; | |
| 412 $FileNotOkayCount++; | |
| 413 next FILELIST; | |
| 414 } | |
| 415 ($FileDir, $FileName, $FileExt) = ParseFileName($TextFile); | |
| 416 if ($FileExt =~ /^tsv$/i) { | |
| 417 $InDelim = "\t"; | |
| 418 } | |
| 419 else { | |
| 420 $InDelim = "\,"; | |
| 421 if ($OptionsInfo{InDelim} !~ /^(comma|semicolon)$/i) { | |
| 422 warn "Warning: Ignoring file $TextFile: The value specified, $OptionsInfo{InDelim}, for option \"--indelim\" is not valid for csv files\n"; | |
| 423 $FileNotOkayCount++; | |
| 424 next FILELIST; | |
| 425 } | |
| 426 if ($OptionsInfo{InDelim} =~ /^semicolon$/i) { | |
| 427 $InDelim = "\;"; | |
| 428 } | |
| 429 } | |
| 430 | |
| 431 if (!open TEXTFILE, "$TextFile") { | |
| 432 warn "Warning: Ignoring file $TextFile: Couldn't open it: $! \n"; | |
| 433 $FileNotOkayCount++; | |
| 434 next FILELIST; | |
| 435 } | |
| 436 | |
| 437 $Line = GetTextLine(\*TEXTFILE); | |
| 438 @ColLabels = quotewords($InDelim, 0, $Line); | |
| 439 close TEXTFILE; | |
| 440 | |
| 441 $TextFilesInfo{FileOkay}[$Index] = 1; | |
| 442 $TextFilesInfo{InDelim}[$Index] = $InDelim; | |
| 443 | |
| 444 $TextFilesInfo{ColCount}[$Index] = @ColLabels; | |
| 445 push @{$TextFilesInfo{ColLabels}[$Index]}, @ColLabels; | |
| 446 for $ColNum (0 .. $#ColLabels) { | |
| 447 $ColLabel = $ColLabels[$ColNum]; | |
| 448 $TextFilesInfo{ColLabelToNumMap}[$Index]{$ColLabel} = $ColNum; | |
| 449 } | |
| 450 } | |
| 451 # Make sure all specified files are valid for merging to work properly... | |
| 452 if ($FileNotOkayCount) { | |
| 453 die "Error: Problems with input text file(s)...\n"; | |
| 454 } | |
| 455 } | |
| 456 | |
| 457 # Process option values... | |
| 458 sub ProcessOptions { | |
| 459 my($Index, $FileDir, $FileName, $FileExt, $NewSDFile, @ColValues, @KeyValues); | |
| 460 | |
| 461 %OptionsInfo = (); | |
| 462 | |
| 463 $OptionsInfo{Mode} = $Options{mode}; | |
| 464 | |
| 465 $OptionsInfo{Columns} = $Options{columns}; | |
| 466 @{$OptionsInfo{ColValues}} = (); | |
| 467 | |
| 468 if ($Options{columns}) { | |
| 469 @ColValues = split ";", $Options{columns}; | |
| 470 if (@ColValues != @TextFilesList) { | |
| 471 die "Error: Invalid number of values specified by \"-c --columns\" option: it must be equal to number of input text files.\n"; | |
| 472 } | |
| 473 for $Index (0 .. $#ColValues) { | |
| 474 if (!length($ColValues[$Index])) { | |
| 475 die "Error: Invalid value specified by \"-c --columns\" option: empty values are not allowed.\n"; | |
| 476 } | |
| 477 } | |
| 478 @{$OptionsInfo{ColValues}} = @ColValues; | |
| 479 } | |
| 480 | |
| 481 $OptionsInfo{Keys} = $Options{keys}; | |
| 482 @{$OptionsInfo{KeyValues}} = (); | |
| 483 | |
| 484 if ($Options{keys}) { | |
| 485 @KeyValues = split ";", $Options{keys}; | |
| 486 if (@KeyValues != @TextFilesList) { | |
| 487 die "Error: Invalid number of values specified by \"-k --keys\" option: it must be equal to number of input text files.\n"; | |
| 488 } | |
| 489 for $Index (0 .. $#KeyValues) { | |
| 490 if (!length($KeyValues[$Index])) { | |
| 491 die "Error: Invalid value specified by \"-k --keys\" option: empty values are not allowed.\n"; | |
| 492 } | |
| 493 } | |
| 494 @{$OptionsInfo{KeyValues}} = @KeyValues; | |
| 495 } | |
| 496 | |
| 497 $OptionsInfo{InDelim} = $Options{indelim}; | |
| 498 | |
| 499 $OptionsInfo{OutFileRoot} = defined $Options{root} ? $Options{root} : undef; | |
| 500 $OptionsInfo{Overwrite} = defined $Options{overwrite} ? $Options{overwrite} : undef; | |
| 501 | |
| 502 $OptionsInfo{SDKey} = defined $Options{sdkey} ? $Options{sdkey} : undef; | |
| 503 | |
| 504 # Setup new SD file... | |
| 505 if ($Options{root}) { | |
| 506 $FileDir = ""; $FileName = ""; $FileExt = ""; | |
| 507 ($FileDir, $FileName, $FileExt) = ParseFileName($Options{root}); | |
| 508 if ($FileName && $FileExt) { | |
| 509 $NewSDFile = $FileName; | |
| 510 } | |
| 511 else { | |
| 512 $NewSDFile = $Options{root}; | |
| 513 } | |
| 514 } | |
| 515 else { | |
| 516 $FileDir = ""; $FileName = ""; $FileExt = ""; | |
| 517 ($FileDir, $FileName, $FileExt) = ParseFileName($SDFile); | |
| 518 | |
| 519 $NewSDFile = $FileName; | |
| 520 ($FileDir, $FileName, $FileExt) = ParseFileName($TextFilesList[0]); | |
| 521 | |
| 522 $NewSDFile = $NewSDFile . "MergedWith" . $FileName . "1To" . @TextFilesList; | |
| 523 } | |
| 524 | |
| 525 $NewSDFile = $NewSDFile . ".sdf"; | |
| 526 if (!$Options{overwrite}) { | |
| 527 if (-e $NewSDFile) { | |
| 528 die "Error: The file $NewSDFile already exists.\n"; | |
| 529 } | |
| 530 } | |
| 531 if ($Options{root}) { | |
| 532 if (lc($NewSDFile) eq lc($SDFile)) { | |
| 533 die "Error: Output filename, $NewSDFile, is similar to a input file name.\nSpecify a different name using \"-r --root\" option or use default name.\n"; | |
| 534 } | |
| 535 } | |
| 536 $OptionsInfo{NewSDFile} = $NewSDFile; | |
| 537 } | |
| 538 | |
| 539 # Setup script usage and retrieve command line arguments specified using various options... | |
| 540 sub SetupScriptUsage { | |
| 541 | |
| 542 # Retrieve all the options... | |
| 543 %Options = (); | |
| 544 $Options{mode} = "colnum"; | |
| 545 $Options{indelim} = "comma"; | |
| 546 | |
| 547 if (!GetOptions(\%Options, "help|h", "indelim=s", "columns|c=s", "keys|k=s", "mode|m=s", "overwrite|o", "root|r=s", "sdkey|s=s", "workingdir|w=s")) { | |
| 548 die "\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n"; | |
| 549 } | |
| 550 if ($Options{workingdir}) { | |
| 551 if (! -d $Options{workingdir}) { | |
| 552 die "Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"; | |
| 553 } | |
| 554 chdir $Options{workingdir} or die "Error: Couldn't chdir $Options{workingdir}: $! \n"; | |
| 555 } | |
| 556 if ($Options{mode} !~ /^(colnum|collabel)$/i) { | |
| 557 die "Error: The value specified, $Options{mode}, for option \"-m --mode\" is not valid. Allowed values: colnum, or collabel\n"; | |
| 558 } | |
| 559 if ($Options{indelim} !~ /^(comma|semicolon)$/i) { | |
| 560 die "Error: The value specified, $Options{indelim}, for option \"--indelim\" is not valid. Allowed values: comma or semicolon\n"; | |
| 561 } | |
| 562 if ($Options{sdkey} && !$Options{keys}) { | |
| 563 die "Error: The option \"-s --sdkey\" can't be specified without the \"-k --keys\" option.\n"; | |
| 564 } | |
| 565 elsif (!$Options{sdkey} && $Options{keys}) { | |
| 566 die "Error: The option \"-k --keys\" can't be specified without the \"-s --sdkey\" option.\n"; | |
| 567 } | |
| 568 } | |
| 569 | |
| 570 __END__ | |
| 571 | |
| 572 =head1 NAME | |
| 573 | |
| 574 MergeTextFilesWithSD.pl - Merge CSV or TSV TextFile(s) into SDFile | |
| 575 | |
| 576 =head1 SYNOPSIS | |
| 577 | |
| 578 MergeTextFilesWithSD.pl SDFile TextFile(s)... | |
| 579 | |
| 580 MergeTextFilesWithSD.pl [B<-h, --help>] [B<--indelim> comma | semicolon] | |
| 581 [B<-c, --columns> colnum,...;... | collabel,...;...] [B<-k, --keys> colkeynum;... | colkeylabel;...] | |
| 582 [B<-m, --mode> colnum | collabel] [B<-o, --overwrite>] [B<-r, --root> rootname] | |
| 583 [B<-s, --sdkey> sdfieldname] [B<-w, --workingdir> dirname] SDFile TextFile(s)... | |
| 584 | |
| 585 =head1 DESCRIPTION | |
| 586 | |
| 587 Merge multiple CSV or TSV I<TextFile(s)> into I<SDFile>. Unless B<-k --keys> | |
| 588 option is used, data rows from all I<TextFile(s)> are added to I<SDFile> in a | |
| 589 sequential order, and the number of compounds in I<SDFile> is used to determine | |
| 590 how many rows of data are added from I<TextFile(s)>. | |
| 591 | |
| 592 Multiple I<TextFile(s)> names are separated by spaces. The valid file extensions are I<.csv> and | |
| 593 I<.tsv> for comma/semicolon and tab delimited text files respectively. All other file names | |
| 594 are ignored. All the text files in a current directory can be specified by I<*.csv>, | |
| 595 I<*.tsv>, or the current directory name. The B<--indelim> option determines the | |
| 596 format of I<TextFile(s)>. Any file which doesn't correspond to the format indicated | |
| 597 by B<--indelim> option is ignored. | |
| 598 | |
| 599 =head1 OPTIONS | |
| 600 | |
| 601 =over 4 | |
| 602 | |
| 603 =item B<-h, --help> | |
| 604 | |
| 605 Print this help message. | |
| 606 | |
| 607 =item B<--indelim> I<comma | semicolon> | |
| 608 | |
| 609 Input delimiter for CSV I<TextFile(s)>. Possible values: I<comma or semicolon>. | |
| 610 Default value: I<comma>. For TSV files, this option is ignored and I<tab> is used as a | |
| 611 delimiter. | |
| 612 | |
| 613 =item B<-c, --columns> I<colnum,...;... | collabel,...;...> | |
| 614 | |
| 615 This value is mode specific. It is a list of columns to merge into I<SDFile> | |
| 616 specified by column numbers or labels for each text file delimited by ";". | |
| 617 All I<TextFile(s)> are merged into I<SDFile>. | |
| 618 | |
| 619 Default value: I<all;all;...>. By default, all columns from TextFile(s) are | |
| 620 merged into I<SDFile>. | |
| 621 | |
| 622 For I<colnum> mode, input value format is: I<colnum,...;colnum,...;...>. Example: | |
| 623 | |
| 624 "1,2;1,3,4;7,8,9" | |
| 625 | |
| 626 For I<collabel> mode, input value format is: I<collabel,...;collabel,...;...>. Example: | |
| 627 | |
| 628 "MW,SumNO;SumNHOH,ClogP,PSA;MolName,Mol_Id,Extreg" | |
| 629 | |
| 630 =item B<-k, --keys> I<colkeynum;... | colkeylabel;...> | |
| 631 | |
| 632 This value is mode specific. It specifies column keys to use for merging | |
| 633 I<TextFile(s)> into I<SDFile>. The column keys, delimited by ";", are specified by column | |
| 634 numbers or labels for I<TextFile(s)>. | |
| 635 | |
| 636 By default, data rows from I<TextFile(s)> are merged into I<SDFile> in the order they appear. | |
| 637 | |
| 638 For I<colnum> mode, input value format is:I<colkeynum, colkeynum;...>. Example: | |
| 639 | |
| 640 "1;3;7" | |
| 641 | |
| 642 For I<collabel> mode, input value format is:I<colkeylabel, colkeylabel;...>. Example: | |
| 643 | |
| 644 "Mol_Id;Mol_Id;Cmpd_Id" | |
| 645 | |
| 646 =item B<-m, --mode> I<colnum | collabel> | |
| 647 | |
| 648 Specify how to merge I<TextFile(s)> into I<SDFile>: using column numbers or column labels. | |
| 649 Possible values: I<colnum or collabel>. Default value: I<colnum>. | |
| 650 | |
| 651 =item B<-o, --overwrite> | |
| 652 | |
| 653 Overwrite existing files. | |
| 654 | |
| 655 =item B<-r, --root> I<rootname> | |
| 656 | |
| 657 New SD file name is generated using the root: <Root>.sdf. Default file name: | |
| 658 <InitialSDFileName>MergedWith<FirstTextFileName>1To<Count>.sdf. | |
| 659 | |
| 660 =item B<-s, --sdkey> I<sdfieldname> | |
| 661 | |
| 662 I<SDFile> data field name used as a key to merge data from TextFile(s). By default, | |
| 663 data rows from I<TextFile(s)> are merged into I<SDFile> in the order they appear. | |
| 664 | |
| 665 =item B<-w, --workingdir> I<dirname> | |
| 666 | |
| 667 Location of working directory. Default: current directory. | |
| 668 | |
| 669 =back | |
| 670 | |
| 671 =head1 EXAMPLES | |
| 672 | |
| 673 To merge Sample1.csv and Sample2.csv into Sample.sdf and generate | |
| 674 NewSample.sdf, type: | |
| 675 | |
| 676 % MergeTextFileswithSD.pl -r NewSample -o Sample.sdf | |
| 677 Sample1.csv Sample2.csv | |
| 678 | |
| 679 To merge all Sample*.tsv into Sample.sdf and generate NewSample.sdf file, type: | |
| 680 | |
| 681 % MergeTextFilesWithSD.pl -r NewSample -o Sample.sdf | |
| 682 Sample*.tsv | |
| 683 | |
| 684 To merge column numbers "1,2" and "3,4,5" from Sample2.csv and Sample3.csv | |
| 685 into Sample.sdf and to generate NewSample.sdf, type: | |
| 686 | |
| 687 % MergeTextFilesWithSD.pl -r NewSample -m colnum -c "1,2;3,4,5" | |
| 688 -o Sample.sdf Sample1.csv Sample2.csv | |
| 689 | |
| 690 To merge column "Mol_ID,Formula,MolWeight" and "Mol_ID,ChemBankID,NAME" | |
| 691 from Sample1.csv and Sample2.csv into Sample.sdf using "Mol_ID" as SD and column keys | |
| 692 to generate NewSample.sdf, type: | |
| 693 | |
| 694 % MergeTextFilesWithSD.pl -r NewSample -s Mol_ID -k "Mol_ID;Mol_ID" | |
| 695 -m collabel -c "Mol_ID,Formula,MolWeight;Mol_ID,ChemBankID,NAME" | |
| 696 -o Sample1.sdf Sample1.csv Sample2.csv | |
| 697 | |
| 698 =head1 AUTHOR | |
| 699 | |
| 700 Manish Sud <msud@san.rr.com> | |
| 701 | |
| 702 =head1 SEE ALSO | |
| 703 | |
| 704 ExtractFromSDFiles.pl, FilterSDFiles.pl, InfoSDFiles.pl, JoinSDFiles.pl, JoinTextFiles.pl, | |
| 705 MergeTextFiles.pl, ModifyTextFilesFormat.pl, SplitSDFiles.pl, SplitTextFiles.pl | |
| 706 | |
| 707 =head1 COPYRIGHT | |
| 708 | |
| 709 Copyright (C) 2015 Manish Sud. All rights reserved. | |
| 710 | |
| 711 This file is part of MayaChemTools. | |
| 712 | |
| 713 MayaChemTools is free software; you can redistribute it and/or modify it under | |
| 714 the terms of the GNU Lesser General Public License as published by the Free | |
| 715 Software Foundation; either version 3 of the License, or (at your option) | |
| 716 any later version. | |
| 717 | |
| 718 =cut |
