| 5 |
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| 6 |
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typedef enum { MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
| 7 |
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POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION, |
| 8 |
< |
ZCONSTRAINT, RIGIDBODY, MEMBER, BLOCK_END } event_enum; |
| 8 |
> |
ZCONSTRAINT, RIGIDBODY, BLOCK_END } event_enum; |
| 9 |
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| 10 |
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| 11 |
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typedef struct{ |
| 14 |
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double z; |
| 15 |
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} position_event; |
| 16 |
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| 17 |
+ |
typedef struct{ |
| 18 |
+ |
double phi; |
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+ |
double theta; |
| 20 |
+ |
double psi; |
| 21 |
+ |
} orientation_event; |
| 22 |
+ |
|
| 23 |
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typedef enum { STRING, INT, DOUBLE } interface_assign_type; |
| 24 |
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| 25 |
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typedef struct{ |
| 33 |
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} assignment_event; |
| 34 |
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| 35 |
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typedef struct{ |
| 36 |
< |
int a; |
| 37 |
< |
int b; |
| 32 |
< |
int c; |
| 33 |
< |
int d; |
| 36 |
> |
int nMembers; |
| 37 |
> |
int *memberList; |
| 38 |
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} members_event; |
| 39 |
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|
| 40 |
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typedef struct{ |
| 44 |
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union{ |
| 45 |
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int blk_index; // block index |
| 46 |
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position_event pos; |
| 47 |
< |
position_event ornt; // use the same structure for orientation |
| 47 |
> |
orientation_event ornt; // use the same structure for orientation |
| 48 |
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assignment_event asmt; |
| 49 |
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members_event mbrs; |
| 50 |
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double cnstr; // the constraint value |