--- trunk/madProps/headers/madProps.h 2002/07/19 19:06:32 44 +++ trunk/madProps/headers/madProps.h 2002/07/23 20:10:49 46 @@ -2,25 +2,30 @@ struct coords{ #define __MADPROPS_H__ struct coords{ - double x; - double y; - double z; - char name[30]; + double x; + double y; + double z; }; +typedef char atomID[30]; + struct vect{ - double x; - double y; - double z; + double x; + double y; + double z; }; struct xyz_frame{ - int nAtoms; - double time; - double boxX, boxY, boxZ; - struct coords *r; - struct vect *v; + int nAtoms; + double time; + double boxX, boxY, boxZ; + struct coords *r; + struct vect *v; + atomID *names; }; +extern void map( double *x, double *y, double *z, + double boxX, double boxY, double boxZ ); + #endif