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, p. 529
Section 5.4.6.4. Output control variables
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 |
These variables are specified to control the processing by CIFtbx commands that write CIFs.
aliaso_
: logical variable to control the use of data-name aliases for output items. If set to .true., preferred synonyms from the input dictionary may be output (see Section 5.4.7). The default is .false..
align_ : logical variable to control the column alignment of data values in loop_ lists output to a CIF. The default is .true..
esdlim_ : integer variable to set the upper limit of appended standard uncertainty (e.s.d.) integers output by pnumb_. The default value is 19, which limits standard uncertainties to the range 2–19.
globo_ : logical variable which if set to .true. will cause the output data block from pdata_ to be written as a global block.
nblanko_ : logical variable controls the treatment of output blank strings. If set to .true., output quoted blank strings will be converted to an unquoted period (i.e. to a data item of type null). Recall that CIFtbx treats an unquoted period or question mark as being of type null.
pdecp_ : logical variable controls the treatment of output decimal numbers. If set to .true., a decimal point will be inserted into numbers output by pnumb_ or pnumbd_. If set to .false., a decimal point will be output only when needed. The default is .false..
plzero_ : logical variable controls the treatment of leading zeros in output decimal numbers. If set to .true., a zero will be inserted before a leading decimal point. The default is .false..
pposdec_ : integer variable to set the column number (position along the line, counting from 1 at the left) of the decimal point for the next number to be output.
pposend_ : integer variable to set the position of the ending column for the next number or character string to be output. Used to pad with zeros or blanks.
pposnam_ : integer variable to set the starting column of the next name or comment to be output.
pposval_ : integer variable to set the position of the starting column of the next data value to be output.
pquote_ : character variable containing the quotation symbol to be used for the next string written.
saveo_ : logical variable is set to .true. for pdata_ to output a save frame, otherwise a data block is output.
ptabx_ : logical variable is set to .true. for tab stops to be expanded to blanks during the creation of a CIF. The default is .true..
tabl_ : logical variable is set to .true. for tab stops to be used in the alignment of output data. The default is .true..
xmlout_
: logical variable is set to .true. to change the output style to XML conventions. Note that this is not a CML (Murray-Rust & Rzepa, 1999) output, but a literal translation from the input CIF. The default is .false..
xmlong_ : logical variable is set to .true. to change the style of XML output if xmlout_ is .true.. When .true. (the default), XML tag names are the full CIF tag names with the leading underscore, _, removed. When .false., an attempt is made to strip the leading category name as well.
References
