| # | Line 2 | Line 2 | struct coords{ | |
|---|---|---|
| 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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| + | Added lines |
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