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sdffilter(1)

NAME

sdffilter - Filter the contents of an SDF file

SYNOPSIS

sdffilter [OPTION] <sdf_filename>

DESCRIPTION

This command filters the contents of an SDF file.

OPTIONS

-h, --help

Generate a brief usage message.

-n, --no-metadata

Don’t show metadata blocks (shown by default)

-j, --just-id

Only show ID and number for metadata blocks

-l, --less-verbose

Print metadata less verbosely

-c, --contents

Show block’s data content

-s, --single

Convert block data to single precision

-v, --variable=<id>

Find the block with ID matching <id>.

-x, --exclude=<id>

Exclude the block with ID matching <id>.

-m, --mmap

Use mmap’ed file I/O

-i, --no-summary

Ignore the metadata summary

-b, --no-nblocks

Ignore the header value for nblocks

-a, --array-section=<section>

Read in the specified array section. The array section <section> mimics Python’s slicing notation.

-d, --derived

Add derived blocks

-e, --extension-info

Print information about any loaded extension module

-I, --c-indexing

Array indexing starts from 1 by default. If this flag is used then the indexing starts from 0.

-1, --1dslice=<slice>

Output 1D slice as a multi-column gnuplot file. The argument is 1, 2 or 3 integers separated by commas.

Some stuff about 1D slicing.

-H, --no-ascii-header

When writing multi-column ascii data, a header is included for use by gnuplot or other plotting utilities. This flag disables the header.

-C, --count=<count>

When pretty-printing array contents, write <count> elements per line.

-F, --format-float=<format>

Use specified format for printing floating-point array contents.

-N, --format-int=<format>

Use specified format for printing integer array contents.

-S, --format-space=<format>

Use specified spacing between array elements.

-K, --format-number

Show the block number before each row of array elements.

-R, --format-rowindex

Show the array indices before each row of array elements.

-J, --format-index

Show the array indices before each array element.

-p, --purge-duplicate

Delete duplicated block IDs

-V, --version

Print version information and exit

EXAMPLES

  • The following command prints a 1D slice of the variable "rhom_total" from the "eden0001.sdf" file:

    $ sdffilter -d -v rhom_total -1 2,10,-1 eden0001.sdf

    Now explain about slicing.

SEE ALSO

sdf2ascii(1)

AUTHORS

Keith Bennett <k.bennett@warwick.ac.uk>