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 (20 years, 2 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
#	User	Rev	Content
1	mmeineke	675	#ifndef __BASS_INTERFACE_H__
2			#define __BASS_INTERFACE_H__
3	mmeineke	377
4
5
6			typedef enum { MOLECULE, ATOM, BOND, BEND, TORSION, COMPONENT,
7	gezelter	988	POSITION, ASSIGNMENT, MEMBERS, CONSTRAINT, ORIENTATION,
8	gezelter	1153	ZCONSTRAINT, RIGIDBODY, CUTOFFGROUP, BLOCK_END } event_enum;
9	mmeineke	377
10
11			typedef struct{
12			double x;
13			double y;
14			double z;
15			} position_event;
16
17	gezelter	998	typedef struct{
18			double phi;
19			double theta;
20			double psi;
21			} orientation_event;
22
23	mmeineke	377	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	gezelter	998	int nMembers;
37			int *memberList;
38	gezelter	988	} members_event;
39	mmeineke	377
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	gezelter	998	orientation_event ornt; // use the same structure for orientation
48	mmeineke	377	assignment_event asmt;
49	gezelter	988	members_event mbrs;
50	mmeineke	377	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	mmeineke	504
60	mmeineke	377	#ifdef __cplusplus
61			}
62			#endif
63
64
65	mmeineke	675	#endif // ifndef __BASS_INTERFACE_H__