# | Line 2 | Line 2 | struct coords{ | |
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2 | #define __MADPROPS_H__ | |
3 | ||
4 | struct coords{ | |
5 | < | double x; |
6 | < | double y; |
7 | < | double z; |
8 | < | char name[30]; |
5 | > | double x; |
6 | > | double y; |
7 | > | double z; |
8 | }; | |
9 | ||
10 | + | typedef char atomID[30]; |
11 | + | |
12 | struct vect{ | |
13 | < | double x; |
14 | < | double y; |
15 | < | double z; |
13 | > | double x; |
14 | > | double y; |
15 | > | double z; |
16 | }; | |
17 | ||
18 | ||
19 | struct xyz_frame{ | |
20 | < | int nAtoms; |
21 | < | double time; |
22 | < | double boxX, boxY, boxZ; |
23 | < | struct coords *r; |
24 | < | struct vect *v; |
20 | > | int nAtoms; |
21 | > | double time; |
22 | > | double boxX, boxY, boxZ; |
23 | > | struct coords *r; |
24 | > | struct vect *v; |
25 | > | atomID *names; |
26 | }; | |
27 | ||
28 | + | extern void map( double *x, double *y, double *z, |
29 | + | double boxX, double boxY, double boxZ ); |
30 | + | |
31 | #endif |
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