OOPSE/libBASS/BASS_interface.h

#ifndef __BASS_INTERFACE_H__
#define __BASS_INTERFACE_H__


typedef enum { MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT, 
               POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION,
               ZCONSTRAINT, RIGIDBODY, CUTOFFGROUP, BLOCK_END } event_enum;


typedef struct{
  double x;
  double y;
  double z;
} position_event;

typedef struct{
  double phi;
  double theta;
  double psi;
} orientation_event;

typedef enum { STRING, INT, DOUBLE } interface_assign_type;

typedef struct{
  interface_assign_type asmt_type;
  char lhs[80];
  union{
    int ival;
    double dval;
    char sval[120];
  }rhs;
} assignment_event;

typedef struct{
  int nMembers;
  int *memberList;
} members_event;

typedef struct{
  event_enum event_type;
  char* err_msg;

  union{
    int               blk_index; // block index
    position_event    pos;
    orientation_event ornt; // use the same structure for orientation
    assignment_event  asmt;
    members_event     mbrs;
    double            cnstr; // the constraint value
  } evt;
} event;

#ifdef __cplusplus
extern "C" {
#endif

  int event_handler( event* the_event );

#ifdef __cplusplus
}
#endif


#endif // ifndef __BASS_INTERFACE_H__
Revision:	1153
Committed:	Tue May 11 04:21:52 2004 UTC (21 years, 5 months ago) by gezelter
Content type:	text/plain
File size:	1190 byte(s)
Log Message:	BASS changes for adding CutoffGroups to molecules. Also restructured the plethora of cutoff radii into one cutoffRadius and one switchingRadius. Also removed the useMolecularCutoffs keyword
#	Content
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, MEMBERS, CONSTRAINT, ORIENTATION,
8	ZCONSTRAINT, RIGIDBODY, CUTOFFGROUP, BLOCK_END } event_enum;
9
10
11	typedef struct{
12	double x;
13	double y;
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{
26	interface_assign_type asmt_type;
27	char lhs[80];
28	union{
29	int ival;
30	double dval;
31	char sval[120];
32	}rhs;
33	} assignment_event;
34
35	typedef struct{
36	int nMembers;
37	int *memberList;
38	} members_event;
39
40	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	orientation_event ornt; // use the same structure for orientation
48	assignment_event asmt;
49	members_event mbrs;
50	double cnstr; // the constraint value
51	} evt;
52	} event;
53
54	#ifdef __cplusplus
55	extern "C" {
56	#endif
57
58	int event_handler( event* the_event );
59
60	#ifdef __cplusplus
61	}
62	#endif
63
64
65	#endif // ifndef __BASS_INTERFACE_H__