| 1 |
< |
#ifndef __MCL_INTERFACE_H__ |
| 2 |
< |
#define __MCL_INTERFACE_H__ |
| 1 |
> |
#ifndef __BASS_INTERFACE_H__ |
| 2 |
> |
#define __BASS_INTERFACE_H__ |
| 3 |
|
|
| 4 |
|
|
| 5 |
|
|
| 6 |
|
typedef enum { MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
| 7 |
< |
POSITION, ASSIGNMENT, MEMBER, CONSTRAINT, ORIENTATION, |
| 8 |
< |
START_INDEX, BLOCK_END } event_enum; |
| 7 |
> |
POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, |
| 8 |
> |
ZCONSTRAINT, RIGIDBODY, BLOCK_END } event_enum; |
| 9 |
|
|
| 10 |
|
|
| 11 |
|
typedef struct{ |
| 14 |
|
double z; |
| 15 |
|
} position_event; |
| 16 |
|
|
| 17 |
+ |
typedef struct{ |
| 18 |
+ |
double phi; |
| 19 |
+ |
double theta; |
| 20 |
+ |
double psi; |
| 21 |
+ |
} orientation_event; |
| 22 |
+ |
|
| 23 |
|
typedef enum { STRING, INT, DOUBLE } interface_assign_type; |
| 24 |
|
|
| 25 |
|
typedef struct{ |
| 33 |
|
} assignment_event; |
| 34 |
|
|
| 35 |
|
typedef struct{ |
| 36 |
< |
int a; |
| 37 |
< |
int b; |
| 38 |
< |
int c; |
| 33 |
< |
int d; |
| 34 |
< |
} member_event; |
| 36 |
> |
int nMembers; |
| 37 |
> |
int *memberList; |
| 38 |
> |
} members_event; |
| 39 |
|
|
| 40 |
|
typedef struct{ |
| 37 |
– |
int* array; |
| 38 |
– |
int n_elements; |
| 39 |
– |
} start_index_event; |
| 40 |
– |
|
| 41 |
– |
typedef struct{ |
| 41 |
|
event_enum event_type; |
| 42 |
|
char* err_msg; |
| 43 |
|
|
| 44 |
|
union{ |
| 45 |
|
int blk_index; // block index |
| 46 |
|
position_event pos; |
| 47 |
< |
position_event ornt; // use the same structure for orientation |
| 47 |
> |
orientation_event ornt; // use the same structure for orientation |
| 48 |
|
assignment_event asmt; |
| 49 |
< |
member_event mbr; |
| 49 |
> |
members_event mbrs; |
| 50 |
|
double cnstr; // the constraint value |
| 52 |
– |
start_index_event si; |
| 51 |
|
} evt; |
| 52 |
|
} event; |
| 53 |
|
|
| 56 |
|
#endif |
| 57 |
|
|
| 58 |
|
int event_handler( event* the_event ); |
| 59 |
< |
|
| 59 |
> |
|
| 60 |
|
#ifdef __cplusplus |
| 61 |
|
} |
| 62 |
|
#endif |
| 63 |
|
|
| 64 |
|
|
| 65 |
< |
#endif // ifndef __MCL_INTERFACE_H__ |
| 65 |
> |
#endif // ifndef __BASS_INTERFACE_H__ |
