4.4 Output commands
There are the commands to perform the AMMP output.
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 dend system variable. To change the dump mode, see 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 can 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 the file opened by OUTPUT.
Parameters:
None.
Return message:
None.
Example:
CLOSE;
See also:
BINDUMP, DUMP,
OUTPUT.
Confirm the end of the command execution.
Parameters:
None.
Return message:
When the next command execution is finished, #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.
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 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). If 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.