4.4 Output commands
There are the commands to perform the AMMP output.
BINDUMP (CHAR)What
Dump the specified term in
binary or in base64 mode. The default mode is binary with the endian of
the system running AMMP. To know and / or set the endian, look the
dend system variable. To change the dump
mode, see the b64enc system variable.
This command is used by host applications (e.g. VEGA ZZ) for fast data transfers
from AMMP. Calling OUTPUT before BINDUMP, the data is
written to the file.
Parameters: | ||
What | It could be: CHARGE (dump the atom charges), COORD (dump the atom coordinates). |
Return message:
Dump the specified data.
Example:
BINDUMP COORD;
See also:
CLOSE, DUMP, OUTPUT.
CLOSE
Close the file opened with OUTPUT.
Parameters:
None.
Return message:
None.
Example:
CLOSE;
See also:
BINDUMP, DUMP,
OUTPUT.
CONFIRMEND
Confirm the end of the
command execution.
Parameters:
None.
Return message:
When the next command execution is finished, the #DONE message is shown.
Example:
CONFIRMEND;
See also:
None.
DUMP (CHAR)What1
(CHAR)What2 ...
(CHAR)WhatN
Dump the specified terms to
the current file. Multiple dumps are allowed specifying more then one
keyword.
Parameters: | ||
What1 | They could be: av5, abc, angle, atom, bond, force, hybrid, morse, noel, orbit, pdb, restrain, step, swarm, table, tbond, tether, tgroup, ttarget, torsion, variable, velocity. | |
What2 | ||
... | ||
WhatN |
Return message:
Dump the specified data.
Example:
DUMP Atom;
See also:
BINDUMP, CLOSE,
OUTPUT.
ECHO (CHAR)Switch
Turn on/off the message/command echo.
Parameters: | ||
Switch | It could be on or off. |
Return message:
None.
Example:
ECHO off;
See also:
None.
FLUSH
Flush the output empting the buffers. This function is useful to synchronize the
AMMP output with the host application. It doesn't have any effect is AMMP is
running in stand alone mode.
Parameters:
None.
Return message:
None.
Example:
FLUSH;
See also:
None.
OUTPUT (CHAR)FileName
(UINT)Version
Open a file for writing
redirecting the output to it.
Parameters: | ||
FileName | Full path file name. | |
Version | File version number (optional).It it's specified, the file is created with the FileName.Version name. |
Return message:
None.
Example:
OUTPUT "MyFile.txt";
See also:
BINDUMP, CLOSE, DUMP.
PRINT (CHAR
/ VAR)Arg
(INT)Flag
Print a message/variable to the current output stream set by
OUTPUT or to the console.
Parameters: | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Arg | Argument to print. It could be: variable name, numeric
constant, string. The string can contain control characters as the standard
C string if they are proceeded by the backslash character (\).
|
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Flag | If it's TRUE (1), the automatic line feed is omitted, if it's FALSE (0, default), a line feed is automatically printed out at and of string. |
Return message:
The printed message.
Example:
PRINT "Result: \t" 1;
PRINT a;
See also:
BINDUMP, CLOSE, DUMP,
OUTPUT.