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root/group/trunk/OOPSE/libBASS/MakeStamps.cpp
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Comparing:
branches/mmeineke/OOPSE/libBASS/MakeStamps.cpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libBASS/MakeStamps.cpp (file contents), Revision 981 by gezelter, Mon Jan 26 18:52:42 2004 UTC

# Line 1 | Line 1
1 < #include <cstdlib>
2 < #include <cstdio>
1 > #include <stdlib.h>
2 > #include <stdio.h>
3 > #include <string.h>
4  
5   #include "MakeStamps.hpp"
6   #include "MoleculeStamp.hpp"
7 + #include "RigidBodyStamp.hpp"
8   #include "simError.h"
9   #ifdef IS_MPI
10   #include "mpiBASS.h"
# Line 89 | Line 91 | MakeStamps::MakeStamps(){
91   MakeStamps::MakeStamps(){
92    
93    int i;
94 +
95 +  hash_size = 47;
96 +  hash_shift = 4;
97    
98    my_mols = new LinkedMolStamp*[hash_size];
99    for( i=0; i<hash_size; i++ ){
# Line 208 | Line 213 | int MakeStamps::moleculeEnd( event* the_event ){
213    return 1;
214   }
215  
216 < int MakeStamps::newAtom( event* the_event ){
216 > int MakeStamps::newRigidBody( event* the_event ){
217    
218 +  current_rigidbody = new RigidBodyStamp;
219 +  
220 +  the_event->err_msg = current_mol->addRigidBody( current_rigidbody,
221 +                                                  the_event->evt.blk_index );
222 +  if( the_event->err_msg != NULL ) return 0;
223 +  return 1;
224 + }
225 +
226 + int MakeStamps::rigidBodyPosition( event* the_event ){
227 +  
228 +  current_rigidbody->setPosition( the_event->evt.pos.x,
229 +                                  the_event->evt.pos.y,
230 +                                  the_event->evt.pos.z );
231 +  return 1;
232 + }
233 +
234 +
235 + int MakeStamps::rigidBodyOrientation( event* the_event ){
236 +  
237 +  current_rigidbody->setOrientation( the_event->evt.ornt.x,
238 +                                     the_event->evt.ornt.y,
239 +                                     the_event->evt.ornt.z );
240 +  return 1;
241 + }
242 +
243 + int MakeStamps::rigidBodyAssign( event* the_event ){
244 +
245 +  switch( the_event->evt.asmt.asmt_type ){
246 +    
247 +  case STRING:
248 +    the_event->err_msg =
249 +      current_rigidbody->assignString( the_event->evt.asmt.lhs,
250 +                                       the_event->evt.asmt.rhs.sval );
251 +    if( the_event->err_msg != NULL ) return 0;
252 +    return 1;
253 +    break;
254 +    
255 +  case DOUBLE:
256 +    the_event->err_msg =
257 +      current_rigidbody->assignDouble( the_event->evt.asmt.lhs,
258 +                                       the_event->evt.asmt.rhs.dval );
259 +    if( the_event->err_msg != NULL ) return 0;
260 +    return 1;    
261 +    break;
262 +
263 +  case INT:
264 +    the_event->err_msg =
265 +      current_rigidbody->assignInt( the_event->evt.asmt.lhs,
266 +                                    the_event->evt.asmt.rhs.ival );
267 +    if( the_event->err_msg != NULL ) return 0;
268 +    return 1;
269 +    break;
270 +    
271 +  default:
272 +    the_event->err_msg = strdup( "MakeStamp error. Invalid rigidBody"
273 +                                 " assignment type" );
274 +    return 0;
275 +    break;
276 +  }
277 +  return 0;
278 + }
279 +
280 + int MakeStamps::rigidBodyEnd( event* the_event ){
281 +
282 +  the_event->err_msg = current_rigidbody->checkMe();
283 +  if( the_event->err_msg != NULL ) return 0;
284 +  
285 +  return 1;
286 + }
287 +
288 + int MakeStamps::newAtomInMolecule( event* the_event ){
289 +  
290    current_atom = new AtomStamp;
291    
292    the_event->err_msg = current_mol->addAtom( current_atom,
293                                               the_event->evt.blk_index );
294 +  
295    if( the_event->err_msg != NULL ) return 0;
296    return 1;
297   }
298  
299 + int MakeStamps::newAtomInRigidBody( event* the_event ){
300 +  
301 +  current_atom = new AtomStamp;
302 +  
303 +  the_event->err_msg = current_rigidbody->addAtom( current_atom,
304 +                                                   the_event->evt.blk_index );
305 +  
306 +  if( the_event->err_msg != NULL ) return 0;
307 +  return 1;
308 + }
309 +
310   int MakeStamps::atomPosition( event* the_event ){
311    
312    current_atom->setPosition( the_event->evt.pos.x,

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