22 December 2011 08:43:41 AM XYZ_IO_PRB: C++ version Test the XYZ_IO library. TEST01 XYZ_EXAMPLE sets up sample XYZ data. XYZ_WRITE writes an XYZ file. Example dataset size is 101 XYZ_WRITE wrote the header and data for "helix.xyz". Number of points = 101 TEST02 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZ_WRITE_TEST created some data. XYZ_HEADER_READ has read the header. Number of points = 101 XYZ_DATA_READ has read the data. Sample data: 0 1 0 0 10 -0.309017 0.951057 0.2 20 -0.809017 -0.587785 0.4 30 0.809017 -0.587785 0.6 40 0.309017 0.951057 0.8 50 -1 3.67394e-16 1 60 0.309017 -0.951057 1.2 70 0.809017 0.587785 1.4 80 -0.809017 0.587785 1.6 90 -0.309017 -0.951057 1.8 100 1 -7.34788e-16 2 TEST03 XYZL_EXAMPLE sets up XYZ and XYZL data. Example has: Number of points = 8 Number of lines = 6 Number of line items = 18 Wrote the XYZ file "cube.xyz". and the XYZL file "cube.xyzl". TEST04 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZL_HEADER_READ reads the header of an XYZL file. XYZL_DATA_READ reads the data of an XYZL file. Examine XYZ file "cube.xyz". Number of points = 8 Point data: 0 0 0 0 1 1 0 0 2 1 1 0 3 0 1 0 4 0 0 1 5 1 0 1 6 1 1 1 7 0 1 1 Examine XYZL file "cube.xyzl". Number of lines = 6 Number of line items = 18 Line pointers: 0 0 4 1 5 9 2 10 11 3 12 13 4 14 15 5 16 17 Line data: 0 0 1 2 3 0 1 4 5 6 7 4 2 0 4 3 1 5 4 2 6 5 3 7 TEST05 XYZF_EXAMPLE sets up XYZ and XYZF data. Example has: Number of points = 8 Number of faces = 6 Number of face items = 24 Wrote the XYZ file "cube.xyz". and the XYZF file "cube.xyzf". TEST06 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZF_HEADER_READ reads the header of an XYZF file. XYZF_DATA_READ reads the data of an XYZF file. Examine XYZ file "cube.xyz". Number of points = 8 Point data: 0 0 0 0 1 1 0 0 2 1 1 0 3 0 1 0 4 0 0 1 5 1 0 1 6 1 1 1 7 0 1 1 Examine XYZF file "cube.xyzf". Number of faces = 6 Number of face items = 24 Face pointers: 0 0 3 1 4 7 2 8 11 3 12 15 4 16 19 5 20 23 Face data: 0 0 3 2 1 1 1 2 6 5 2 4 5 6 7 3 4 7 3 0 4 0 1 5 4 5 2 3 7 6 XYZ_IO_PRB: Normal end of execution. 22 December 2011 08:43:41 AM