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124 .\" ========================================================================
125 .\"
126 .IX Title "SORTSDFILES 1"
127 .TH SORTSDFILES 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
129 .\" way too many mistakes in technical documents.
130 .if n .ad l
131 .nh
132 .SH "NAME"
133 SortSDFiles.pl \- Sort SDFile(s) using values for a data field
134 .SH "SYNOPSIS"
135 .IX Header "SYNOPSIS"
136 SortSDFiles.pl SDFile(s)...
137 .PP
138 SortSDFiles.pl [\fB\-d, \-\-detail\fR infolevel] [\fB\-h, \-\-help\fR] [\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR]
139 [\fB\-\-keydata\fR numeric | alphanumeric] [\fB\-o, \-\-overwrite\fR] [\fB\-r, \-\-root\fR rootname]
140 [\fB\-s, \-\-sort\fR ascending | descending] [\fB\-w, \-\-workingdir\fR dirname] SDFile(s)...
141 .SH "DESCRIPTION"
142 .IX Header "DESCRIPTION"
143 Sort \fISDFile(s)\fR using values for a specified data field name key. Only one \s-1SD\s0
144 data field name key can be specified for sorting. In an event of conflict during sorting
145 process, two similar values for a \s-1SD\s0 data field name key are simply transferred to
146 output files in order of their presence in input files. Additionally, compound records
147 with no data field name, empty field values, or field values containing multiple lines
148 are simply placed at the end. The file names are separated by space.The valid file
149 extensions are \fI.sdf\fR and \fI.sd\fR. All other file names are ignored. All the \s-1SD\s0 files in a
150 current directory can be specified either by \fI*.sdf\fR or the current directory name.
151 .SH "OPTIONS"
152 .IX Header "OPTIONS"
153 .IP "\fB\-d, \-\-detail\fR \fIinfolevel\fR" 4
154 .IX Item "-d, --detail infolevel"
155 Level of information to print about compound records being ignored. Default: \fI1\fR. Possible
156 values: \fI1, 2 or 3\fR.
157 .IP "\fB\-h, \-\-help\fR" 4
158 .IX Item "-h, --help"
159 Print this help message.
160 .IP "\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR" 4
161 .IX Item "-k, --key SD data field name"
162 \&\fISDFile(s)\fR data field name used for sorting compound records. Default value: \fIfirst
163 data field name\fR. Compound records with no \fIsdfieldname\fR, empty field values, field
164 values containing multiple lines, or field values inappropriate for sorting are simply placed
165 at the end.
166 .IP "\fB\-\-keydata\fR \fInumeric | alphanumeric\fR" 4
167 .IX Item "--keydata numeric | alphanumeric"
168 Data type for \fIsdfieldname\fR values. Possible values: \fInumeric or alphanumeric\fR. Default
169 value: \fInumeric\fR. For \fIalphanumeric\fR data values, comparison is case insensitive.
170 .IP "\fB\-o, \-\-overwrite\fR" 4
171 .IX Item "-o, --overwrite"
172 Overwrite existing files.
173 .IP "\fB\-r, \-\-root\fR \fIrootname\fR" 4
174 .IX Item "-r, --root rootname"
175 New \s-1SD\s0 file name is generated using the root: <Root>.<Ext>. Default new file
176 name: <InitialSDFileName>SortedByDataField.<Ext>. This option is ignored for multiple
177 input files.
178 .IP "\fB\-s, \-\-sort\fR \fIascending | descending\fR" 4
179 .IX Item "-s, --sort ascending | descending"
180 Sorting order for \s-1SD\s0 data field values. Possible values: \fIascending or descending\fR.
181 Default value: \fIascending\fR.
182 .IP "\fB\-w, \-\-workingdir\fR \fIdirname\fR" 4
183 .IX Item "-w, --workingdir dirname"
184 Location of working directory. Default: current directory.
185 .SH "EXAMPLES"
186 .IX Header "EXAMPLES"
187 To perform numerical sort in ascending order using first data field values and
188 generate a new \s-1SD\s0 file NewSample1.sdf, type:
189 .PP
190 .Vb 1
191 \& % SortSDFiles.pl \-o \-r NewSample1 Sample1.sdf
192 .Ve
193 .PP
194 To perform numerical sort in descending order using MolWeight data field and
195 generate a new \s-1SD\s0 text file NewSample1.sdf, type:
196 .PP
197 .Vb 2
198 \& % SortSDFiles.pl \-k MolWeight \-\-keydata numeric \-s descending
199 \& \-r NewSample1 \-o Sample1.sdf
200 .Ve
201 .SH "AUTHOR"
202 .IX Header "AUTHOR"
203 Manish Sud <msud@san.rr.com>
204 .SH "SEE ALSO"
205 .IX Header "SEE ALSO"
206 JoinSDFiles.pl, MergeTextFilesWithSD.pl, SplitSDFiles.pl, SDFilesToHTML.pl
207 .SH "COPYRIGHT"
208 .IX Header "COPYRIGHT"
209 Copyright (C) 2015 Manish Sud. All rights reserved.
210 .PP
211 This file is part of MayaChemTools.
212 .PP
213 MayaChemTools is free software; you can redistribute it and/or modify it under
214 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
215 Software Foundation; either version 3 of the License, or (at your option)
216 any later version.