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CCLTM
(Crystallographic Concept Library) contains a collection of computer
code that reflects fundamental concepts in crystallography, such as
space group, unit cell, structure factor. It includes a
sub-library Math Applications in Crystallopgraphy (MAC) that collects
the commonly-used mathematical procedures in crystallographic computing,
e.g. matrix and vector operations, FFT, least-squares model
fitting. Most of CCL code are in C++ programming language with som
FORTRAN code inherited from older programs. Efforts have been made
to isolate recurring code from general crystallographic application
programs. Those parts that handles crystallographic concepts are
summarized and engineered in object-oriented fashion. Code that
involve pure math procedures or algorithms are wrapped into MAC
library. CCL and MAC are not end-user applications.
Re-engineering the "wheel" of crystallographic computing is invevitable
if industrial strength is to be achieved at an unprecedented
high-throughput and robustness.
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CCL and MAC
Programmer's Guide and Reference ( pdf/ html)
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