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root/group/trunk/OOPSE/libBASS/parse_interface.h
Revision: 1153
Committed: Tue May 11 04:21:52 2004 UTC (20 years, 1 month ago) by gezelter
Content type: text/plain
File size: 1481 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

File Contents

# Content
1 #ifndef __INTERFACE_H__
2 #define __INTERFACE_H__
3
4 #include "node_list.h"
5
6 /*
7 * the following is used to clarify the namespace of a given statement
8 * or block node.
9 */
10
11 struct namespc{
12 int index;
13 node_type type;
14 };
15
16 /*
17 * The following are the function calls to initialize the different
18 * code blocks.
19 */
20
21 extern void init_component( int component_index );
22 extern void init_molecule( int mol_index );
23 extern void init_atom( int atom_index );
24 extern void init_bond( int bond_index );
25 extern void init_bend( int bend_index );
26 extern void init_torsion( int torsion_index );
27 extern void init_zconstraint( int zconstraint_index );
28 extern void init_rigidbody( int rigidbody_index );
29 extern void init_cutoffgroup( int cutoffgroup_index );
30
31
32 /*
33 * the next few deal with the statement initializations
34 */
35
36 extern void init_members( struct node_tag* the_node,
37 struct namespc the_namespc );
38 extern void init_constraint( struct node_tag* the_node,
39 struct namespc the_namespc );
40 extern void init_assignment( struct node_tag* the_node,
41 struct namespc the_namespc );
42 extern void init_position( struct node_tag* the_node,
43 struct namespc the_namespc );
44 extern void init_orientation( struct node_tag* the_node,
45 struct namespc the_namespc );
46 extern void init_start_index( struct node_tag* the_node,
47 struct namespc the_namespc );
48 /*
49 * This let's us know when we encounter the end of a block.
50 */
51
52 extern void end_of_block( void );
53
54
55 #endif