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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, 2 months 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

# User Rev Content
1 mmeineke 377 #ifndef __INTERFACE_H__
2     #define __INTERFACE_H__
3    
4 mmeineke 854 #include "node_list.h"
5 mmeineke 377
6     /*
7 gezelter 988 * the following is used to clarify the namespace of a given statement
8 mmeineke 377 * 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 mmeineke 675 extern void init_zconstraint( int zconstraint_index );
28 gezelter 957 extern void init_rigidbody( int rigidbody_index );
29 gezelter 1153 extern void init_cutoffgroup( int cutoffgroup_index );
30 mmeineke 377
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