Mercurial > repos > deepakjadmin > mayatool3_test2

NAME
    SortSDFiles.pl - Sort SDFile(s) using values for a data field

SYNOPSIS
    SortSDFiles.pl SDFile(s)...

    SortSDFiles.pl [-d, --detail infolevel] [-h, --help] [-k, --key *SD data
    field name*] [--keydata numeric | alphanumeric] [-o, --overwrite] [-r,
    --root rootname] [-s, --sort ascending | descending] [-w, --workingdir
    dirname] SDFile(s)...

DESCRIPTION
    Sort *SDFile(s)* using values for a specified data field name key. Only
    one SD data field name key can be specified for sorting. In an event of
    conflict during sorting process, two similar values for a SD data field
    name key are simply transferred to output files in order of their
    presence in input files. Additionally, compound records with no data
    field name, empty field values, or field values containing multiple
    lines are simply placed at the end. The file names are separated by
    space.The valid file extensions are *.sdf* and *.sd*. All other file
    names are ignored. All the SD files in a current directory can be
    specified either by **.sdf* or the current directory name.

OPTIONS
    -d, --detail *infolevel*
        Level of information to print about compound records being ignored.
        Default: *1*. Possible values: *1, 2 or 3*.

    -h, --help
        Print this help message.

    -k, --key *SD data field name*
        *SDFile(s)* data field name used for sorting compound records.
        Default value: *first data field name*. Compound records with no
        *sdfieldname*, empty field values, field values containing multiple
        lines, or field values inappropriate for sorting are simply placed
        at the end.

    --keydata *numeric | alphanumeric*
        Data type for *sdfieldname* values. Possible values: *numeric or
        alphanumeric*. Default value: *numeric*. For *alphanumeric* data
        values, comparison is case insensitive.

    -o, --overwrite
        Overwrite existing files.

    -r, --root *rootname*
        New SD file name is generated using the root: <Root>.<Ext>. Default
        new file name: <InitialSDFileName>SortedByDataField.<Ext>. This
        option is ignored for multiple input files.

    -s, --sort *ascending | descending*
        Sorting order for SD data field values. Possible values: *ascending
        or descending*. Default value: *ascending*.

    -w, --workingdir *dirname*
        Location of working directory. Default: current directory.

EXAMPLES
    To perform numerical sort in ascending order using first data field
    values and generate a new SD file NewSample1.sdf, type:

        % SortSDFiles.pl -o -r NewSample1 Sample1.sdf

    To perform numerical sort in descending order using MolWeight data field
    and generate a new SD text file NewSample1.sdf, type:

        % SortSDFiles.pl -k MolWeight --keydata numeric -s descending
          -r NewSample1 -o Sample1.sdf

AUTHOR
    Manish Sud <msud@san.rr.com>

SEE ALSO
    JoinSDFiles.pl, MergeTextFilesWithSD.pl, SplitSDFiles.pl,
    SDFilesToHTML.pl

COPYRIGHT
    Copyright (C) 2015 Manish Sud. All rights reserved.

    This file is part of MayaChemTools.

    MayaChemTools is free software; you can redistribute it and/or modify it
    under the terms of the GNU Lesser General Public License as published by
    the Free Software Foundation; either version 3 of the License, or (at
    your option) any later version.
author	deepakjadmin
date	Wed, 20 Jan 2016 09:23:18 -0500
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