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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. 530
Section 5.4.8. Implementation of the tools
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 |
Implementation of the CIFtbx tools is straightforward. The supplied source files in all versions are: ciftbx.f, ciftbx.sys (used in ciftbx.f) and ciftbx.cmn (used in local applications). More recent versions of CIFtbx (version 2.4 and later) require certain additional source files: ciftbx.cmf, ciftbx.cmv, hash_funcs.f and clearfp.f (or clearfp_sun.f).
The common file ciftbx.cmn must be ` include'd into any local routines that use CIFtbx tools. The library in ciftbx.f may be invoked by either (i) compiling and linking the resulting object file as an object library, or with explicit references in the application linking sequence (versions 2.4 and later require hash_funcs.o as an additional object file); or (ii) including ciftbx.f in the local application and compiling and linking it with the local program.
Approach (i) is more efficient, but for some applications approach (ii) may be simpler.
