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#ifndef __MCL_INTERFACE_H__ |
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#define __MCL_INTERFACE_H__ |
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#ifndef __BASS_INTERFACE_H__ |
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#define __BASS_INTERFACE_H__ |
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typedef enum { MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, |
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POSITION, ASSIGNMENT, MEMBER, CONSTRAINT, ORIENTATION, |
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START_INDEX, BLOCK_END } event_enum; |
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ZCONSTRAINT, BLOCK_END } event_enum; |
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typedef struct{ |
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} member_event; |
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typedef struct{ |
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int* array; |
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int n_elements; |
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} start_index_event; |
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typedef struct{ |
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event_enum event_type; |
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char* err_msg; |
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assignment_event asmt; |
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member_event mbr; |
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double cnstr; // the constraint value |
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start_index_event si; |
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} evt; |
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} event; |
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#endif |
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#endif // ifndef __MCL_INTERFACE_H__ |
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#endif // ifndef __BASS_INTERFACE_H__ |