Abstract
The inorganic crystal structure database (ICSD) includes about 60,000 crystal data and exports crystallographic information files (CIF) of text format. However, the data of CIF cannot be directly available in C++ programming, because CIF offers only parameters of atomic coordinates and equivalent coordinates of space group. Therefore, we implemented a base class that could export lattice parameters and full atomic coordinates. Although VRML or OpenGL are generally used for a development of 3D graphics software, any nodes or functions that can directly draw a convex polyhedron are not offered. A convex polyhedron should be drawn as an aggregate of surface polygons. In addition, vertex coordinates of the polygons should be sorted in such a way that each surface polygon is drawn with one stroke of the brash. We implemented another base class that could export an appropriate array of vertex coordinates of surface polygons in order to draw a polyhedron in the C++ programming. Arguments of a constructor of this base class are only vertex coordinates of a polyhedron. Our software, which could visualize complicate inorganic crystal structures by way of drawing coordination polyhedrons, was developed without ill effects by using these two base classes.
