International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 5.4, pp. 526-527
Section 5.4.3. Initialization commands
a
Department of Mathematics and Computer Science, Kramer Science Center, Dowling College, Idle Hour Blvd, Oakdale, NY 11769, USA, and bSchool of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Perth, WA 6009, Australia |
Initialization commands are applied at the start of a program to set global conditions for processing CIF data. There are only two commands of this type.
init_ is an optional command that specifies the device number assignments for the input CIF devcif, the output CIF devout, an internal scratch file devdir and the file containing error messages deverr. The internal scratch file devdir is used to hold a copy of the input CIF as a direct-access file (i.e. for random access to parts of the CIF). init_ is a logical function that is always returned with a value of .true.. The default device numbers for these files are 1, 2, 3 and 6.
dict_ is an optional command for opening a dictionary fname and initiating various optional data checks, checks. The choices of checks to perform are given by a string of blank-separated five-character `check codes', such as valid or dtype, which turn on checking for the validity of tags or types of values, respectively. dict_ is a logical function which is returned as .true. if the named dictionary was opened and if the check codes are recognizable.