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Crystals PrimerChapter 15: Tailoring The Program
The user has some control over the run-time aspects of the program.
Commands put into a CRYSINIT file are
automatically obeyed each time CRYSTALS is started. Under VMS this file
is in the users root directory, under DOS it is in the current working
directory.
[Top] [Index] Manuals generated on Wednesday 8 November 2006 15.1: General Instructions\TITLE Any text for a title \SET UEQUIV type Geometric or arithmetric mean \SET PAUSE value Pause interval after each 24 lines of OP \USE CONTROL Skip the SCRIPT startup mode \SET GENERATE state Generate filename 'extensions' \SET LOG state Control the logging of input \SET MONITOR state Control monitoring of input \SET PAGE length \SET TERMINAL device Set VT52 or VT100 for SCRIPTS \SET COMMUNICATION speed Set relative line speed \SET TIMING state Enable timing messages \SET LIST state Messages about disc transfers \SET WATCH number Select lists to watch \SET PRINTER state On or Off
[Top] [Index] Manuals generated on Wednesday 8 November 2006 15.2: File processingWhen CRYSTALS is running, instructions stored in a data file can be executed with: !\USE filename
To find out what is in a file without obeying it, issue: !\TYPE filename
CRYSTALS automatically hooks in suitable files or devices to input and output channels. These can be changed while the program is running. For example, the listings can be directed to a new file, so that the previous file can be printed without stopping CRYSTALS. Output can also be directed to specially named files, or devices. The command used is: \RELEASE devicename filename Permitted devices include: MONITOR The screen for online work, otherwise the .MON file (not PCs) PRINTER The main listing file LOG The copy (log) of all input PUNCH A card image file
The filenames can be any system permitted file name. If omitted, a new file with the default name is opened, possibly over-writing the previous file. Special devices are often available :TT The terminal screen (not PCs) :LP The line printer itself :NL The null device (dustbin) e.g. !\RELEASE PRINTER LP: sends output directly to the printer !\RELEASE LOG releases the log file, which could then be edited and used as input !\RELEASE PRINTER NL: sends the full listing to the dustbin.
[Top] [Index] Manuals generated on Wednesday 8 November 2006 15.3: DOS file name limitaions.Under VMS file generation numbers prevent accidental over-writing of previous output. Under DOS and UNIX this facility is not available, nor is it always permitted to switch output to and from the screen or printer directly. The command !\SET GENERATE ON
[Top] [Index] Manuals generated on Wednesday 8 November 2006 15.4: Automatic Disc extension.If the .DSC file becomes full, CRYSTALS makes an attempt to extend it. The number of attempts and the increment are set by the program installer. The user can over -ride the defaults. See the section \DISK. The following commands permits very substantial disk extensions. !\DISK !EXTEND SIZE=10 TRIES=100 !END
[Top] [Index] Manuals generated on Wednesday 8 November 2006 15.5: CRYSINIT files.Their function is similar to a LOGIN.COM or AUTOEXEC.BAT file, and they contain commands the user always wants executing when CRYSTALS starts. The special instruction \USE CONTROL by-passes SCRIPT mode startup. !\ A CRYSINIT file to minimise output and pass directly !\ into command mode. Disc extensions are set large. !\DISK !EXTEND FREE=100 SIZE=10 TRIES=100 !END !\SET TIMING OFF !\SET WATCH 5 !\SET LISTS WRITE !\SET SRQ OFF !\SET SPEED FAST !\USE CONTROL
The file CRYSTALS.SRT, usually in the directory CRIMAGES, is a master CRYSINIT file obeyed every time CRYSTALS starts. You may edit this, but take care. [Top] [Index] Manuals generated on Wednesday 8 November 2006 15.6: Environment VariablesCRDIR The directory where CRYSTALS expects to find or put files. CRIMAGES The directory containing CRYSTALS CRSCP The directory containing the SCRIPTS
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© Copyright Chemical Crystallography Laboratory, Oxford, 2006.
Comments or queries to David Watkin -
david.watkin@chem.ox.ac.uk Telephone +44 1865 285019.
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