Re: [InChI-discuss] Silencing console output in cInChI

[D. T. <dtc...@ni...>]

At 06:26 PM 6/4/2006, Richard Apodaca wrote:
>Is there a command line option to silence all console
>output for the cInchI binary?

I apologize for the delay. Below is the answer.

How to suppress  cInChI-1 console output
========================================

By default InChI sends its console output to the standard error output stream.

A standard redirection provided by an operating system may be used to 
suppress cInChI-1 console output. The examples are below.

Under Windows:
cInChI-1 inpfile outfile logfile NUL 2>NUL

Under Linux:
cInChI-1 inpfile outfile logfile NUL 2>/dev/null

More details.

"2>" redirects the standard error output (stderr);
">" or "1>" redirects the standard output (stdout).

The first NUL in each example prohibits creation of a "problem file" thus 
allowing processing files greater than 2 gigabytes.

To prohibit also the logfile creation, replace its file name with NUL, for 
example:

Under Windows:
cInChI-1 inpfile outfile NUL NUL 2>NUL

Under Linux:
cInChI-1 inpfile outfile NUL NUL 2>/dev/null

You may find the following information useful:

Option STDIO sends InChI output to stdout, and logfile output to stderr
If an input file name is missing then cInChI-1 tries to read the standard 
console input.

Option NoLabels removes the input file name, structure ordering numbers and 
IDs from the InChI output.

You may find useful the following way of using redirections (all options 
concerning InChI layers are omitted for brevity) to produce InChI(s) in 
out_file from structure(s) in inp_file while discarding logfile contents 
into NUL:

Under Windows:
type inp_file | cInChI-1 /stdio /nolabels /auxnone >out_file 2>NUL

Under Linux:
cat inp_file | cInChI-1 -stdio -nolabels -auxnone >out_file 2>/dev/null

Regards

Dmitrii Tchekhovskoi


>This is the list of all options reported by the
>program:
>
>Options:
>   SNon        Exclude stereo (Default: Include
>Absolute stereo)
>   SRel        Relative stereo
>   SRac        Racemic stereo
>   SUCF        Use Chiral Flag: On means Absolute
>stereo, Off - Relative
>   SUU         Include omitted unknown/undefined stereo
>   NEWPS       Narrow end of wedge points to
>stereocenter (default: both)
>   RecMet      Include reconnected metals results
>   FixedH      Mobile H Perception Off (Default: On)
>   AuxNone     Omit auxiliary information (default:
>Include)
>   NoADP       Disable Aggressive Deprotonation (for
>testing only)
>   Compress    Compressed output
>   DoNotAddH   Don't add H according to usual valences:
>all H are explicit
>   Wnumber     Set time-out per structure in seconds;
>W0 means unlimited
>   SDF:DataHeader Read from the input SDfile the ID
>under this DataHeader
>   NoLabels    Omit structure number, DataHeader and ID
>from InChI output
>   Tabbed      Separate structure number, InChI, and
>AuxIndo with tabs
>   OutputSDF   Convert InChI created with default aux.
>info to SDfile
>   STDIO       Use standard input/output streams
>   WarnOnEmptyStructure Warn and produce empty InChI
>for empty structure
>
>thanks,
>rich
>
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