Mercurial > repos > deepakjadmin > mayatool3_test3
comparison mayachemtools/bin/TextFilesToSDFiles.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 #!/usr/bin/perl -w | |
2 # | |
3 # $RCSfile: TextFilesToSDFiles.pl,v $ | |
4 # $Date: 2015/02/28 20:46:21 $ | |
5 # $Revision: 1.25 $ | |
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 "$FindBin::Bin/../lib"; | |
31 use Getopt::Long; | |
32 use File::Basename; | |
33 use Text::ParseWords; | |
34 use Benchmark; | |
35 use FileUtil; | |
36 use TextUtil; | |
37 use SDFileUtil; | |
38 | |
39 my($ScriptName, %Options, $StartTime, $EndTime, $TotalTime); | |
40 | |
41 # Autoflush STDOUT | |
42 $| = 1; | |
43 | |
44 # Starting message... | |
45 $ScriptName = basename $0; | |
46 print "\n$ScriptName:Starting...\n\n"; | |
47 $StartTime = new Benchmark; | |
48 | |
49 # Get the options and setup script... | |
50 SetupScriptUsage(); | |
51 if ($Options{help} || @ARGV < 1) { | |
52 die GetUsageFromPod("$FindBin::Bin/$ScriptName"); | |
53 } | |
54 | |
55 my(@TextFilesList); | |
56 @TextFilesList = ExpandFileNames(\@ARGV, "csv tsv"); | |
57 | |
58 print "Processing options...\n"; | |
59 my(%OptionsInfo); | |
60 ProcessOptions(); | |
61 | |
62 print "Checking input text file(s)...\n"; | |
63 my(%TextFilesInfo); | |
64 RetrieveTextFilesInfo(); | |
65 | |
66 # Generate output files... | |
67 my($FileIndex); | |
68 if (@TextFilesList > 1) { | |
69 print "\nProcessing text files...\n"; | |
70 } | |
71 for $FileIndex (0 .. $#TextFilesList) { | |
72 if ($TextFilesInfo{FileOkay}[$FileIndex]) { | |
73 print "\nProcessing file $TextFilesList[$FileIndex]...\n"; | |
74 ConvertTextFile($FileIndex); | |
75 } | |
76 } | |
77 print "\n$ScriptName:Done...\n\n"; | |
78 | |
79 $EndTime = new Benchmark; | |
80 $TotalTime = timediff ($EndTime, $StartTime); | |
81 print "Total time: ", timestr($TotalTime), "\n"; | |
82 | |
83 ############################################################################### | |
84 | |
85 # Convert text file to SD file... | |
86 sub ConvertTextFile { | |
87 my($Index) = @_; | |
88 my($TextFile, $SDFile, $Line, $InDelim, $Label, $Value, $ColIndex, $ColCount, @ColLabels, @LineWords); | |
89 | |
90 $TextFile = $TextFilesList[$Index]; | |
91 $InDelim = $TextFilesInfo{InDelim}[$Index]; | |
92 $SDFile = $TextFilesInfo{OutSDFile}[$Index]; | |
93 @ColLabels = @{$TextFilesInfo{ColLabels}[$Index]}; | |
94 $ColCount = @ColLabels; | |
95 | |
96 print "Generating SD file $SDFile...\n"; | |
97 open SDFILE, ">$SDFile" or die "Error: Couldn't open $SDFile: $! \n"; | |
98 open TEXTFILE, "$TextFile" or die "Error: Can't open $TextFile: $! \n"; | |
99 if ($OptionsInfo{ColLabelsPresent}) { | |
100 # Skip over column labels from old file... | |
101 $Line = GetTextLine(\*TEXTFILE); | |
102 } | |
103 my($Date) = GenerateMiscLineDateStamp(); | |
104 while ($Line = GetTextLine(\*TEXTFILE)) { | |
105 @LineWords = quotewords($InDelim, 0, $Line); | |
106 | |
107 # Write out empty CTAB block... | |
108 print SDFILE GenerateEmptyCtabBlockLines($Date), "\n"; | |
109 | |
110 # Write out data fields and values... | |
111 for $ColIndex (0 .. $#LineWords) { | |
112 if ($ColIndex < $ColCount) { | |
113 $Label = $ColLabels[$ColIndex]; | |
114 $Value = $LineWords[$ColIndex]; | |
115 print SDFILE "> <$Label>\n$Value\n\n"; | |
116 } | |
117 } | |
118 print SDFILE "\$\$\$\$\n"; | |
119 } | |
120 close SDFILE; | |
121 close TEXTFILE; | |
122 } | |
123 | |
124 # Retrieve information about input text files... | |
125 sub RetrieveTextFilesInfo { | |
126 my($Index, $TextFile, $FileDir, $FileName, $FileExt, $InDelim, $Line, @LineWords, @ColLabels, $OutFileRoot, $OutFile, $ColNum, $ColLabel); | |
127 | |
128 %TextFilesInfo = (); | |
129 | |
130 @{$TextFilesInfo{FileOkay}} = (); | |
131 @{$TextFilesInfo{ColCount}} = (); | |
132 @{$TextFilesInfo{ColLabels}} = (); | |
133 @{$TextFilesInfo{InDelim}} = (); | |
134 @{$TextFilesInfo{OutSDFile}} = (); | |
135 | |
136 | |
137 FILELIST: for $Index (0 .. $#TextFilesList) { | |
138 $TextFile = $TextFilesList[$Index]; | |
139 | |
140 $TextFilesInfo{FileOkay}[$Index] = 0; | |
141 $TextFilesInfo{ColCount}[$Index] = 0; | |
142 $TextFilesInfo{InDelim}[$Index] = ""; | |
143 $TextFilesInfo{OutSDFile}[$Index] = ""; | |
144 | |
145 @{$TextFilesInfo{ColLabels}[$Index]} = (); | |
146 | |
147 if (!(-e $TextFile)) { | |
148 warn "Warning: Ignoring file $TextFile: It doesn't exist\n"; | |
149 next FILELIST; | |
150 } | |
151 if (!CheckFileType($TextFile, "csv tsv")) { | |
152 warn "Warning: Ignoring file $TextFile: It's not a csv or tsv file\n"; | |
153 next FILELIST; | |
154 } | |
155 ($FileDir, $FileName, $FileExt) = ParseFileName($TextFile); | |
156 if ($FileExt =~ /^tsv$/i) { | |
157 $InDelim = "\t"; | |
158 } | |
159 else { | |
160 $InDelim = "\,"; | |
161 if ($Options{indelim} !~ /^(comma|semicolon)$/i) { | |
162 warn "Warning: Ignoring file $TextFile: The value specified, $Options{indelim}, for option \"--indelim\" is not valid for csv files\n"; | |
163 next FILELIST; | |
164 } | |
165 if ($Options{indelim} =~ /^semicolon$/i) { | |
166 $InDelim = "\;"; | |
167 } | |
168 } | |
169 if (!open TEXTFILE, "$TextFile") { | |
170 warn "Warning: Ignoring file $TextFile: Couldn't open it: $! \n"; | |
171 next FILELIST; | |
172 } | |
173 $Line = GetTextLine(\*TEXTFILE); | |
174 @LineWords = quotewords($InDelim, 0, $Line); | |
175 @ColLabels = (); | |
176 if ($OptionsInfo{ColLabelsPresent}) { | |
177 push @ColLabels, @LineWords; | |
178 } | |
179 else { | |
180 for $ColNum (1 .. @LineWords) { | |
181 $ColLabel = "Column${ColNum}Data"; | |
182 push @ColLabels, $ColLabel; | |
183 } | |
184 } | |
185 close TEXTFILE; | |
186 | |
187 $FileDir = ""; $FileName = ""; $FileExt = ""; | |
188 ($FileDir, $FileName, $FileExt) = ParseFileName($TextFile); | |
189 if ($Options{root} && (@TextFilesList == 1)) { | |
190 my ($RootFileDir, $RootFileName, $RootFileExt) = ParseFileName($Options{root}); | |
191 if ($RootFileName && $RootFileExt) { | |
192 $FileName = $RootFileName; | |
193 } | |
194 else { | |
195 $FileName = $Options{root}; | |
196 } | |
197 $OutFileRoot = $FileName; | |
198 } | |
199 else { | |
200 $OutFileRoot = "${FileName}WithNoStrData"; | |
201 } | |
202 | |
203 $OutFile = "${OutFileRoot}.sdf"; | |
204 if (!$Options{overwrite}) { | |
205 if (-e $OutFile) { | |
206 warn "Warning: Ignoring file $TextFile: The file $OutFile already exists\n"; | |
207 next FILELIST; | |
208 } | |
209 } | |
210 $TextFilesInfo{FileOkay}[$Index] = 1; | |
211 $TextFilesInfo{InDelim}[$Index] = $InDelim; | |
212 $TextFilesInfo{OutSDFile}[$Index] = "$OutFile"; | |
213 | |
214 $TextFilesInfo{ColCount}[$Index] = @ColLabels; | |
215 push @{$TextFilesInfo{ColLabels}[$Index]}, @ColLabels; | |
216 } | |
217 } | |
218 | |
219 # Process option values... | |
220 sub ProcessOptions { | |
221 %OptionsInfo = (); | |
222 | |
223 $OptionsInfo{Label} = $Options{label}; | |
224 $OptionsInfo{ColLabelsPresent} = ($Options{label} =~ /^yes$/i) ? 1 : 0; | |
225 | |
226 $OptionsInfo{InDelim} = $Options{indelim}; | |
227 $OptionsInfo{Overwrite} = defined $Options{overwrite} ? $Options{overwrite} : undef; | |
228 | |
229 $OptionsInfo{OutFileRoot} = defined $Options{root} ? $Options{root} : undef; | |
230 | |
231 } | |
232 | |
233 # Setup script usage and retrieve command line arguments specified using various options... | |
234 sub SetupScriptUsage { | |
235 | |
236 # Retrieve all the options... | |
237 %Options = (); | |
238 $Options{label} = "yes"; | |
239 $Options{indelim} = "comma"; | |
240 if (!GetOptions(\%Options, "help|h", "indelim=s", "label|l=s", "overwrite|o", "root|r=s", "workingdir|w=s")) { | |
241 die "\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n"; | |
242 } | |
243 if ($Options{workingdir}) { | |
244 if (! -d $Options{workingdir}) { | |
245 die "Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"; | |
246 } | |
247 chdir $Options{workingdir} or die "Error: Couldn't chdir $Options{workingdir}: $! \n"; | |
248 } | |
249 if ($Options{indelim} !~ /^(comma|semicolon)$/i) { | |
250 die "Error: The value specified, $Options{indelim}, for option \"--indelim\" is not valid. Allowed values: comma or semicolon\n"; | |
251 } | |
252 if ($Options{label} !~ /^(yes|no)$/i) { | |
253 die "Error: The value specified, $Options{label}, for option \"-l --label\" is not valid. Allowed values: yes or no\n"; | |
254 } | |
255 } | |
256 | |
257 __END__ | |
258 | |
259 =head1 NAME | |
260 | |
261 TextFilesToSDFiles.pl - Generate SD files from CSV or TSV TextFile(s) | |
262 | |
263 =head1 SYNOPSIS | |
264 | |
265 TextFilesToSDFiles.pl TextFile(s)... | |
266 | |
267 TextFilesToSDFiles.pl [B<-h, --help>] [B<--indelim> comma | semicolon] [B<-l, --label> yes | no] | |
268 [B<-o, --overwrite>] [B<-r, --root> rootname] [B<-w, --workingdir> dirname] TextFile(s)... | |
269 | |
270 =head1 DESCRIPTION | |
271 | |
272 Generate SD files from CSV or TSV I<TextFile(s)>. The new SD files contain no structure data | |
273 as indicated by empty structure data block; Data fields and values in SD files are generated | |
274 using I<TextFile(s)> column labels and corresponding data values. | |
275 | |
276 Multiple I<TextFile(s)> names are separated by space. The valid file extensions are | |
277 I<.csv> and I<.tsv> for comma/semicolon and tab delimited text files respectively. | |
278 All other file names are ignored. All the text files in a current directory can be specified | |
279 by I<*.csv>, I<*.tsv>, or the current directory name. The B<--indelim> option | |
280 determines the format of I<TextFile(s)>. Any file which doesn't correspond to | |
281 the format indicated by B<--indelim> option is ignored. | |
282 | |
283 =head1 OPTIONS | |
284 | |
285 =over 4 | |
286 | |
287 =item B<-h, --help> | |
288 | |
289 Print this help message. | |
290 | |
291 =item B<--indelim> I<comma | semicolon> | |
292 | |
293 Input delimiter for CSV I<TextFile(s)>. Possible values: I<comma or semicolon>. | |
294 Default value: I<comma>. For TSV files, this option is ignored and I<tab> is used as a | |
295 delimiter. | |
296 | |
297 =item B<-l, --label> I<yes | no> | |
298 | |
299 First line contains column labels. Possible values: I<yes or no>. Default value: I<yes>. | |
300 Column labels are used to create SD data field labels; otherwise, data field labels look | |
301 like Column<colnumber>Data. | |
302 | |
303 =item B<-o, --overwrite> | |
304 | |
305 Overwrite existing files. | |
306 | |
307 =item B<-r, --root> I<rootname> | |
308 | |
309 New SD file names are generated using the root: <Root>.sdf. Default new file names: | |
310 <TextFileName>WithNoStrData.sdf. This option is ignored for multiple input files. | |
311 | |
312 =item B<-w, --workingdir> I<dirname> | |
313 | |
314 Location of working directory. Default: current directory. | |
315 | |
316 =back | |
317 | |
318 =head1 EXAMPLES | |
319 | |
320 To generate NewSample1.sdf file from Sample1.csv file, type: | |
321 | |
322 % TextFilesToSDFiles.pl -o -r NewSample1 Sample1.csv | |
323 | |
324 To generate NewSample1.sdf file from Sample1.tsv file which doesn't | |
325 contain column labels line, type: | |
326 | |
327 % TextFilesToSDFiles.pl --label no -o -r NewSample1 Sample1.tsv | |
328 | |
329 =head1 AUTHOR | |
330 | |
331 Manish Sud <msud@san.rr.com> | |
332 | |
333 =head1 SEE ALSO | |
334 | |
335 JoinTextFiles.pl, MergeTextFiles.pl, ModifySDFilesDataFields.pl, ModifyTextFilesFormat.pl | |
336 | |
337 =head1 COPYRIGHT | |
338 | |
339 Copyright (C) 2015 Manish Sud. All rights reserved. | |
340 | |
341 This file is part of MayaChemTools. | |
342 | |
343 MayaChemTools is free software; you can redistribute it and/or modify it under | |
344 the terms of the GNU Lesser General Public License as published by the Free | |
345 Software Foundation; either version 3 of the License, or (at your option) | |
346 any later version. | |
347 | |
348 =cut |