| 1 | gezelter | 2204 | /* | 
| 2 | gezelter | 1930 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  |  | * | 
| 4 |  |  | * The University of Notre Dame grants you ("Licensee") a | 
| 5 |  |  | * non-exclusive, royalty free, license to use, modify and | 
| 6 |  |  | * redistribute this software in source and binary code form, provided | 
| 7 |  |  | * that the following conditions are met: | 
| 8 |  |  | * | 
| 9 |  |  | * 1. Acknowledgement of the program authors must be made in any | 
| 10 |  |  | *    publication of scientific results based in part on use of the | 
| 11 |  |  | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 |  |  | *    the article in which the program was described (Matthew | 
| 13 |  |  | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 |  |  | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 |  |  | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 |  |  | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 |  |  | * | 
| 18 |  |  | * 2. Redistributions of source code must retain the above copyright | 
| 19 |  |  | *    notice, this list of conditions and the following disclaimer. | 
| 20 |  |  | * | 
| 21 |  |  | * 3. Redistributions in binary form must reproduce the above copyright | 
| 22 |  |  | *    notice, this list of conditions and the following disclaimer in the | 
| 23 |  |  | *    documentation and/or other materials provided with the | 
| 24 |  |  | *    distribution. | 
| 25 |  |  | * | 
| 26 |  |  | * This software is provided "AS IS," without a warranty of any | 
| 27 |  |  | * kind. All express or implied conditions, representations and | 
| 28 |  |  | * warranties, including any implied warranty of merchantability, | 
| 29 |  |  | * fitness for a particular purpose or non-infringement, are hereby | 
| 30 |  |  | * excluded.  The University of Notre Dame and its licensors shall not | 
| 31 |  |  | * be liable for any damages suffered by licensee as a result of | 
| 32 |  |  | * using, modifying or distributing the software or its | 
| 33 |  |  | * derivatives. In no event will the University of Notre Dame or its | 
| 34 |  |  | * licensors be liable for any lost revenue, profit or data, or for | 
| 35 |  |  | * direct, indirect, special, consequential, incidental or punitive | 
| 36 |  |  | * damages, however caused and regardless of the theory of liability, | 
| 37 |  |  | * arising out of the use of or inability to use software, even if the | 
| 38 |  |  | * University of Notre Dame has been advised of the possibility of | 
| 39 |  |  | * such damages. | 
| 40 |  |  | */ | 
| 41 |  |  |  | 
| 42 |  |  | #ifndef IO_INTERFACE_H | 
| 43 |  |  | #define IO_INTERFACE_H | 
| 44 | gezelter | 1490 |  | 
| 45 | tim | 1492 | #include "io/node_list.h" | 
| 46 | gezelter | 1490 |  | 
| 47 |  |  | /* | 
| 48 |  |  | * the following is used to clarify the namespace of a given statement | 
| 49 |  |  | * or block node. | 
| 50 |  |  | */ | 
| 51 |  |  |  | 
| 52 |  |  | struct namespc{ | 
| 53 |  |  | int index; | 
| 54 |  |  | node_type type; | 
| 55 |  |  | }; | 
| 56 |  |  |  | 
| 57 |  |  | /* | 
| 58 |  |  | * The following are the function calls to initialize the different | 
| 59 |  |  | * code blocks. | 
| 60 |  |  | */ | 
| 61 |  |  |  | 
| 62 |  |  | extern void init_component( int component_index ); | 
| 63 |  |  | extern void init_molecule( int mol_index ); | 
| 64 |  |  | extern void init_atom( int atom_index ); | 
| 65 |  |  | extern void init_bond( int bond_index ); | 
| 66 |  |  | extern void init_bend( int bend_index ); | 
| 67 |  |  | extern void init_torsion( int torsion_index ); | 
| 68 |  |  | extern void init_zconstraint( int zconstraint_index ); | 
| 69 |  |  | extern void init_rigidbody( int rigidbody_index ); | 
| 70 |  |  | extern void init_cutoffgroup( int cutoffgroup_index ); | 
| 71 |  |  |  | 
| 72 |  |  |  | 
| 73 |  |  | /* | 
| 74 |  |  | * the next few deal with the statement initializations | 
| 75 |  |  | */ | 
| 76 |  |  |  | 
| 77 |  |  | extern void init_members( struct node_tag* the_node, | 
| 78 |  |  | struct namespc the_namespc ); | 
| 79 |  |  | extern void init_constraint( struct node_tag* the_node, | 
| 80 |  |  | struct namespc the_namespc ); | 
| 81 |  |  | extern void init_assignment( struct node_tag* the_node, | 
| 82 |  |  | struct namespc the_namespc ); | 
| 83 |  |  | extern void init_position( struct node_tag* the_node, | 
| 84 |  |  | struct namespc the_namespc ); | 
| 85 |  |  | extern void init_orientation( struct node_tag* the_node, | 
| 86 |  |  | struct namespc the_namespc ); | 
| 87 |  |  | extern void init_start_index( struct node_tag* the_node, | 
| 88 |  |  | struct namespc the_namespc ); | 
| 89 |  |  | /* | 
| 90 |  |  | * This let's us know when we encounter the end of a block. | 
| 91 |  |  | */ | 
| 92 |  |  |  | 
| 93 |  |  | extern void end_of_block( void ); | 
| 94 |  |  |  | 
| 95 |  |  |  | 
| 96 |  |  | #endif |