?? print_avsfld.cc
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/* print_avsfld.cc */#ifdef sgi #include <stdio.h> #include "print_avsfld.h" #include "autocomm.h"#else extern "C" { #include <stdio.h> #include "print_avsfld.h" #include "autocomm.h" }#endifvoid print_avsfld( FILE *logFile, int veclen, int natom, int nframe, int offset[VECLENMAX], int stride, char label[MAX_CHARS], char filename[MAX_CHARS] ){ int i; fprintf( logFile, "AVSFLD: # AVS field file\n" ); fprintf( logFile, "AVSFLD: #\n" ); fprintf( logFile, "AVSFLD: # Created by AutoDock\n" ); fprintf( logFile, "AVSFLD: #\n" ); fprintf( logFile, "AVSFLD: ndim=2 # number of dimensions in the field\n" ); fprintf( logFile, "AVSFLD: nspace=1 # number of physical coordinates\n" ); fprintf( logFile, "AVSFLD: veclen=%-9d # vector size\n", veclen ); fprintf( logFile, "AVSFLD: dim1=%-11d # atoms\n", natom ); fprintf( logFile, "AVSFLD: dim2=%-11d # conformations\n", nframe ); fprintf( logFile, "AVSFLD: data=float # data type (byte,integer,float,double)\n" ); fprintf( logFile, "AVSFLD: field=uniform # field coordinate layout\n" ); fprintf( logFile, "AVSFLD: label= %s\n", label ); for (i=0; i<veclen; i++) { fprintf( logFile, "AVSFLD: variable %d file = %s filetype = ascii offset = %d stride = %d\n", i+1, filename, offset[i], stride ); } fprintf( logFile, "AVSFLD: # end of file\n\n" ); fflush( logFile );}/* EOF */?? 快捷鍵說明
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