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#include <stdlib.h> |
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#include <string.h> |
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#include <parse_interface.h> |
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#include <BASS_interface.h> |
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#include <simError.h> |
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#include "parse_interface.h" |
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#include "BASS_interface.h" |
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#include "simError.h" |
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#ifdef IS_MPI |
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< |
#include <mpiBASS.h> |
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#include "mpiBASS.h" |
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#endif |
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void interface_error( event* the_event ); |
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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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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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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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the_event = (event* )malloc( sizeof( event ) ); |
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the_event->event_type = MEMBER; |
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the_event->event_type = MEMBERS; |
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the_event->err_msg = NULL; |
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the_event->evt.mbr.a = the_node->the_data.mbr.a; |
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the_event->evt.mbr.b = the_node->the_data.mbr.b; |
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the_event->evt.mbr.c = the_node->the_data.mbr.c; |
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the_event->evt.mbr.d = the_node->the_data.mbr.d; |
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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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free( the_event->evt.mbrs.memberList ); |
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free( the_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.x = the_node->the_data.ort.x; |
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the_event->evt.ornt.y = the_node->the_data.ort.y; |
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the_event->evt.ornt.z = the_node->the_data.ort.z; |
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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 |
