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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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|
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <string.h> |
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|
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#include "io/parse_interface.h" |
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#include "io/BASS_interface.h" |
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#include "utils/simError.h" |
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#ifdef IS_MPI |
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#include "io/mpiBASS.h" |
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#endif |
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|
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void interface_error( event* the_event ); |
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|
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void init_component( int comp_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = COMPONENT; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = comp_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_molecule( int mol_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = MOLECULE; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = mol_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_rigidbody( int rigidbody_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = RIGIDBODY; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = rigidbody_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_cutoffgroup( int cutoffgroup_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = CUTOFFGROUP; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = cutoffgroup_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_atom( int atom_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = ATOM; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = atom_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_bond( int bond_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = BOND; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = bond_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_bend( int bend_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = BEND; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = bend_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_torsion( int torsion_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = TORSION; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = torsion_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_zconstraint( int zconstraint_index ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = ZCONSTRAINT; |
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the_event->err_msg = NULL; |
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the_event->evt.blk_index = zconstraint_index; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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|
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/* |
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* the next few deal with the statement initializations |
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*/ |
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|
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void init_members( struct node_tag* the_node, |
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struct namespc the_namespc ){ |
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event* the_event; |
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int i; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = MEMBERS; |
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the_event->err_msg = NULL; |
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|
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the_event->evt.mbrs.nMembers = the_node->the_data.mbrs.nMembers; |
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|
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the_event->evt.mbrs.memberList = (int *) calloc(the_node->the_data.mbrs.nMembers, |
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sizeof(int)); |
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|
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for (i = 0; i < the_node->the_data.mbrs.nMembers; i++) { |
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the_event->evt.mbrs.memberList[i] = the_node->the_data.mbrs.memberList[i]; |
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} |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event->evt.mbrs.memberList ); |
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free( the_event ); |
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} |
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|
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void init_constraint( struct node_tag* the_node, |
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struct namespc the_namespc ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = CONSTRAINT; |
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the_event->err_msg = NULL; |
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the_event->evt.cnstr = the_node->the_data.cnstr.constraint_val; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_assignment( struct node_tag* the_node, |
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struct namespc the_namespc ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = ASSIGNMENT; |
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the_event->err_msg = NULL; |
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|
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strcpy( the_event->evt.asmt.lhs, the_node->the_data.asmt.identifier ); |
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switch( the_node->the_data.asmt.type ){ |
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|
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case STR_ASSN: |
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the_event->evt.asmt.asmt_type = STRING; |
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strcpy( the_event->evt.asmt.rhs.sval, |
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the_node->the_data.asmt.rhs.str_ptr ); |
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break; |
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|
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case INT_ASSN: |
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the_event->evt.asmt.asmt_type = INT; |
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the_event->evt.asmt.rhs.ival = the_node->the_data.asmt.rhs.i_val; |
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break; |
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|
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case DOUBLE_ASSN: |
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the_event->evt.asmt.asmt_type = DOUBLE; |
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the_event->evt.asmt.rhs.dval = the_node->the_data.asmt.rhs.d_val; |
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break; |
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} |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_position( struct node_tag* the_node, |
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struct namespc the_namespc ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = POSITION; |
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the_event->err_msg = NULL; |
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the_event->evt.pos.x = the_node->the_data.pos.x; |
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the_event->evt.pos.y = the_node->the_data.pos.y; |
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the_event->evt.pos.z = the_node->the_data.pos.z; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void init_orientation( struct node_tag* the_node, |
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struct namespc the_namespc ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = ORIENTATION; |
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the_event->err_msg = NULL; |
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the_event->evt.ornt.phi = the_node->the_data.ort.phi; |
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the_event->evt.ornt.theta = the_node->the_data.ort.theta; |
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the_event->evt.ornt.psi = the_node->the_data.ort.psi; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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|
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void end_of_block( void ){ |
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event* the_event; |
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|
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the_event = (event* )malloc( sizeof( event ) ); |
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|
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the_event->event_type = BLOCK_END; |
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the_event->err_msg = NULL; |
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|
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if( !event_handler( the_event ) ) interface_error( the_event ); |
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#ifdef IS_MPI |
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throwMPIEvent(the_event); |
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#endif |
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|
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free( the_event ); |
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} |
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|
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void interface_error( event* the_event ){ |
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|
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sprintf( painCave.errMsg, |
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"Error in parsing meta-data file!\n" |
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"\t%s\n", |
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the_event->err_msg ); |
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painCave.severity = OOPSE_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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#ifdef IS_MPI |
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mpiInterfaceExit(); |
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#endif /*IS_MPI*/ |
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} |
