OOPSE/libBASS/MakeStamps.cpp

#include <stdlib.h>
#include <stdio.h>
#include <string.h>

#include "MakeStamps.hpp"
#include "MoleculeStamp.hpp"
#include "RigidBodyStamp.hpp"
#include "simError.h"
#ifdef IS_MPI
#include "mpiBASS.h"
#endif // is_mpi

LinkedMolStamp::~LinkedMolStamp(){ 
  if( mol_stamp != NULL ) delete mol_stamp;
  if( next != NULL ) delete next; 
}

void LinkedMolStamp::add( LinkedMolStamp* newbie ){
  
  if( next != NULL ) next->add( newbie );
  else{
    next = newbie;
    next->setPrev( this );
  }
}

MoleculeStamp* LinkedMolStamp::match( char* id ){

  if( mol_stamp != NULL ){
    if(!strcmp( mol_stamp->getID(), id )){
      
      // make sure we aren't hiding somebody else with the same name
      if(next != NULL ){
        if( next->match( id ) != NULL){
          sprintf( painCave.errMsg,
                   "Molecule Stamp Error. Two separate of declarations of "
                   "%s present.\n",
                   id );
          painCave.isFatal = 1;
          simError();
#ifdef IS_MPI
          if( painCave.isEventLoop ){
            if( worldRank == 0 ) mpiInterfaceExit();
          }
#endif //is_mpi
        }
        else return mol_stamp;
      }
      else  return mol_stamp;
    }
  }
  
  if( next != NULL ) return next->match( id );
  
  return NULL;
}

LinkedMolStamp* LinkedMolStamp::extract( char* id ){

  if( mol_stamp != NULL ){
    if(!strcmp( mol_stamp->getID(), id )){
      
      // make sure we aren't hiding somebody else with the same name
      if(next != NULL ){
        if( next->match( id ) != NULL){
          sprintf( painCave.errMsg,
                   "Molecule Stamp Error. Two separate of declarations of "
                   "%s present.\n",
                   id );
          painCave.isFatal = 1;
          simError();
#ifdef IS_MPI
          if( painCave.isEventLoop ){
            if( worldRank == 0 ) mpiInterfaceExit();
          }
#endif //is_mpi
        }
      }
          
      prev->setNext( next );
      if( next != NULL ) next->setPrev( prev );
      return this;
    }
  }
  
  if( next != NULL ) return next->extract( id );
  
  return NULL;
}

MakeStamps::MakeStamps(){
  
  int i;

  hash_size = 47;
  hash_shift = 4;
  
  my_mols = new LinkedMolStamp*[hash_size];
  for( i=0; i<hash_size; i++ ){
    my_mols[i] = new LinkedMolStamp();
  }

}

MakeStamps::~MakeStamps(){
  
  int i;

  for( i=0; i<hash_size; i++ ){
    if( my_mols[i] != NULL ) delete my_mols[i];
  }
  delete[] my_mols;
}

int MakeStamps::hash( char* text ){

  register unsigned short int i = 0; // loop counter
  int key = 0; // the hash key

  while( text[i] != '\0' ){

    key = ( ( key << hash_shift ) + text[i] ) % hash_size;
    
    i++;
  }
  
  if( key < 0 ){

    // if the key is less than zero, we've had an overflow error

    sprintf( painCave.errMsg,
             "There has been an overflow error in the MakeStamps hash key.");
    painCave.isFatal = 1;
    simError();
#ifdef IS_MPI
    if( painCave.isEventLoop ){
      if( worldRank == 0 ) mpiInterfaceExit();
    }
#endif //is_mpi
  }
  
  return key;
}

LinkedMolStamp* MakeStamps::extractMolStamp( char* the_id ){
  int key;
  
  key = hash( the_id );
  if( my_mols[key] != NULL ){
    return my_mols[key]->extract( the_id );
  }
  
  return NULL;
}

void MakeStamps::addMolStamp( MoleculeStamp* the_stamp ){

  int key;
  LinkedMolStamp* linked_mol;
  
  key = hash( the_stamp->getID() );

  linked_mol = new LinkedMolStamp;
  linked_mol->setStamp( the_stamp );

  my_mols[key]->add( linked_mol );

}


int MakeStamps::newMolecule( event* the_event ){
  
  current_mol = new MoleculeStamp;
  return 1;
}

int MakeStamps::moleculeAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    the_event->err_msg = current_mol->assignString( the_event->evt.asmt.lhs,
                                      the_event->evt.asmt.rhs.sval );
    break;

  case DOUBLE:
    the_event->err_msg = current_mol->assignDouble( the_event->evt.asmt.lhs,
                                      the_event->evt.asmt.rhs.dval );
    break;
    
  case INT:
    the_event->err_msg = current_mol->assignInt( the_event->evt.asmt.lhs,
                                   the_event->evt.asmt.rhs.ival );
    break;

  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid molecule"
                                 " assignment type" );
    return 0;
    break;
  }
  if( the_event->err_msg != NULL ) return 0;
  return 1;
}

int MakeStamps::moleculeEnd( event* the_event ){

  the_event->err_msg = current_mol->checkMe();
  // if err_msg is set, then something is wrong
  if( the_event->err_msg != NULL ) return 0; 

  addMolStamp( current_mol );
  return 1;
}

int MakeStamps::newRigidBody( event* the_event ){
  
  current_rigidbody = new RigidBodyStamp;
  
  the_event->err_msg = current_mol->addRigidBody( current_rigidbody,
                                                  the_event->evt.blk_index );
  if( the_event->err_msg != NULL ) return 0;
  return 1;
}

int MakeStamps::rigidBodyPosition( event* the_event ){
  
  current_rigidbody->setPosition( the_event->evt.pos.x,
                                  the_event->evt.pos.y,
                                  the_event->evt.pos.z );
  return 1;
}


int MakeStamps::rigidBodyOrientation( event* the_event ){
  
  current_rigidbody->setOrientation( the_event->evt.ornt.x,
                                     the_event->evt.ornt.y,
                                     the_event->evt.ornt.z );
  return 1;
}

int MakeStamps::rigidBodyAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    the_event->err_msg = 
      current_rigidbody->assignString( the_event->evt.asmt.lhs,
                                       the_event->evt.asmt.rhs.sval );
    if( the_event->err_msg != NULL ) return 0;
    return 1;
    break;
    
  case DOUBLE:
    the_event->err_msg = 
      current_rigidbody->assignDouble( the_event->evt.asmt.lhs,
                                       the_event->evt.asmt.rhs.dval );
    if( the_event->err_msg != NULL ) return 0;
    return 1;    
    break;

  case INT:
    the_event->err_msg = 
      current_rigidbody->assignInt( the_event->evt.asmt.lhs,
                                    the_event->evt.asmt.rhs.ival );
    if( the_event->err_msg != NULL ) return 0;
    return 1;
    break;
    
  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid rigidBody"
                                 " assignment type" );
    return 0;
    break;
  }
  return 0;
}

int MakeStamps::rigidBodyEnd( event* the_event ){

  the_event->err_msg = current_rigidbody->checkMe();
  if( the_event->err_msg != NULL ) return 0;
  
  return 1;
}

int MakeStamps::newAtomInMolecule( event* the_event ){
  
  current_atom = new AtomStamp;
  
  the_event->err_msg = current_mol->addAtom( current_atom,
                                             the_event->evt.blk_index );
  
  if( the_event->err_msg != NULL ) return 0;
  return 1;
}

int MakeStamps::newAtomInRigidBody( event* the_event ){
  
  current_atom = new AtomStamp;
  
  the_event->err_msg = current_rigidbody->addAtom( current_atom,
                                                   the_event->evt.blk_index );
  
  if( the_event->err_msg != NULL ) return 0;
  return 1;
}

int MakeStamps::atomPosition( event* the_event ){
  
  current_atom->setPosition( the_event->evt.pos.x,
                             the_event->evt.pos.y,
                             the_event->evt.pos.z );
  return 1;
}


int MakeStamps::atomOrientation( event* the_event ){
  
  current_atom->setOrientation( the_event->evt.ornt.x,
                                the_event->evt.ornt.y,
                                the_event->evt.ornt.z );
  return 1;
}

int MakeStamps::atomAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    the_event->err_msg = 
      current_atom->assignString( the_event->evt.asmt.lhs,
                                  the_event->evt.asmt.rhs.sval );
    if( the_event->err_msg != NULL ) return 0;
    return 1;
    break;

  case DOUBLE:
    the_event->err_msg = 
      current_atom->assignDouble( the_event->evt.asmt.lhs,
                                  the_event->evt.asmt.rhs.dval );
    if( the_event->err_msg != NULL ) return 0;
    return 1;    
    break;

  case INT:
    the_event->err_msg = 
      current_atom->assignInt( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.ival );
    if( the_event->err_msg != NULL ) return 0;
    return 1;
    break;

  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid atom"
                                 " assignment type" );
    return 0;
    break;
  }
  return 0;
}

int MakeStamps::atomEnd( event* the_event ){

  the_event->err_msg = current_atom->checkMe();
  if( the_event->err_msg != NULL ) return 0;
  
  return 1;
}

int MakeStamps::newBond( event* the_event ){
  
  current_bond = new BondStamp;
  
  the_event->err_msg = current_mol->addBond( current_bond,
                                             the_event->evt.blk_index );
  if( the_event->err_msg != NULL ) return 0;

  return 1;
}

int MakeStamps::bondAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    current_bond->assignString( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.sval );
    return 1;
    break;

  case DOUBLE:
    current_bond->assignDouble( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.dval );
    return 1;
    break;

  case INT:
    current_bond->assignInt( the_event->evt.asmt.lhs,
                            the_event->evt.asmt.rhs.ival );
    return 1;
    break;

  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid bond"
                                 " assignment type" );
    return 0;
    break;
  }
  return 0;
}

int MakeStamps::bondMember( event* the_event ){

  current_bond->members( the_event->evt.mbr.a,
                         the_event->evt.mbr.b );
  return 1;
}

int MakeStamps::bondConstraint( event* the_event ){

  current_bond->constrain( the_event->evt.cnstr );
  return 1;
}

int MakeStamps::bondEnd( event* the_event ){

  the_event->err_msg = current_bond->checkMe();
  if( the_event->err_msg != NULL ) return 0;
  
  return 1;
}

int MakeStamps::newBend( event* the_event ){
  
  current_bend = new BendStamp;
  
  the_event->err_msg = current_mol->addBend( current_bend,
                                             the_event->evt.blk_index );
  if( the_event->err_msg != NULL ) return 0;

  return 1;
}

int MakeStamps::bendAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    current_bend->assignString( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.sval );
    return 1;
    break;

  case DOUBLE:
    current_bend->assignDouble( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.dval );
    return 1;
    break;

  case INT:
    current_bend->assignInt( the_event->evt.asmt.lhs,
                            the_event->evt.asmt.rhs.ival );
    return 1;
    break;

  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid bend"
                                 " assignment type" );
    return 0;
    break;
  }
  return 0;
}

int MakeStamps::bendMember( event* the_event ){

  current_bend->members( the_event->evt.mbr.a,
                         the_event->evt.mbr.b,
                         the_event->evt.mbr.c );
  return 1;
}

int MakeStamps::bendConstraint( event* the_event ){

  current_bend->constrain( the_event->evt.cnstr );
  return 1;
}

int MakeStamps::bendEnd( event* the_event ){

  the_event->err_msg = current_bend->checkMe();
  if( the_event->err_msg != NULL ) return 0;
  
  return 1;
}

int MakeStamps::newTorsion( event* the_event ){
  
  current_torsion = new TorsionStamp;
  
  the_event->err_msg = current_mol->addTorsion( current_torsion,
                                                the_event->evt.blk_index );
  if( the_event->err_msg != NULL ) return 0;

  return 1;
}

int MakeStamps::torsionAssign( event* the_event ){

  switch( the_event->evt.asmt.asmt_type ){
    
  case STRING:
    current_torsion->assignString( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.sval );
    return 1;
    break;

  case DOUBLE:
    current_torsion->assignDouble( the_event->evt.asmt.lhs,
                               the_event->evt.asmt.rhs.dval );
    return 1;
    break;

  case INT:
    current_torsion->assignInt( the_event->evt.asmt.lhs,
                            the_event->evt.asmt.rhs.ival );
    return 1;
    break;

  default:
    the_event->err_msg = strdup( "MakeStamp error. Invalid torsion"
                                 " assignment type" );
    return 0;
    break;
  }
  return 0;
}

int MakeStamps::torsionMember( event* the_event ){

  current_torsion->members( the_event->evt.mbr.a,
                            the_event->evt.mbr.b,
                            the_event->evt.mbr.c,
                            the_event->evt.mbr.d );
  return 1;
}

int MakeStamps::torsionConstraint( event* the_event ){

  current_torsion->constrain( the_event->evt.cnstr );
  return 1;
}

int MakeStamps::torsionEnd( event* the_event ){

  the_event->err_msg = current_torsion->checkMe();
  if( the_event->err_msg != NULL ) return 0;
  
  return 1;
}
Revision:	981
Committed:	Mon Jan 26 18:52:42 2004 UTC (21 years, 3 months ago) by gezelter
File size:	12361 byte(s)
Log Message:	Fix broken atom assignment for rigid bodies
#	Content
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"
11	#endif // is_mpi
12
13	LinkedMolStamp::~LinkedMolStamp(){
14	if( mol_stamp != NULL ) delete mol_stamp;
15	if( next != NULL ) delete next;
16	}
17
18	void LinkedMolStamp::add( LinkedMolStamp* newbie ){
19
20	if( next != NULL ) next->add( newbie );
21	else{
22	next = newbie;
23	next->setPrev( this );
24	}
25	}
26
27	MoleculeStamp* LinkedMolStamp::match( char* id ){
28
29	if( mol_stamp != NULL ){
30	if(!strcmp( mol_stamp->getID(), id )){
31
32	// make sure we aren't hiding somebody else with the same name
33	if(next != NULL ){
34	if( next->match( id ) != NULL){
35	sprintf( painCave.errMsg,
36	"Molecule Stamp Error. Two separate of declarations of "
37	"%s present.\n",
38	id );
39	painCave.isFatal = 1;
40	simError();
41	#ifdef IS_MPI
42	if( painCave.isEventLoop ){
43	if( worldRank == 0 ) mpiInterfaceExit();
44	}
45	#endif //is_mpi
46	}
47	else return mol_stamp;
48	}
49	else return mol_stamp;
50	}
51	}
52
53	if( next != NULL ) return next->match( id );
54
55	return NULL;
56	}
57
58	LinkedMolStamp* LinkedMolStamp::extract( char* id ){
59
60	if( mol_stamp != NULL ){
61	if(!strcmp( mol_stamp->getID(), id )){
62
63	// make sure we aren't hiding somebody else with the same name
64	if(next != NULL ){
65	if( next->match( id ) != NULL){
66	sprintf( painCave.errMsg,
67	"Molecule Stamp Error. Two separate of declarations of "
68	"%s present.\n",
69	id );
70	painCave.isFatal = 1;
71	simError();
72	#ifdef IS_MPI
73	if( painCave.isEventLoop ){
74	if( worldRank == 0 ) mpiInterfaceExit();
75	}
76	#endif //is_mpi
77	}
78	}
79
80	prev->setNext( next );
81	if( next != NULL ) next->setPrev( prev );
82	return this;
83	}
84	}
85
86	if( next != NULL ) return next->extract( id );
87
88	return NULL;
89	}
90
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++ ){
100	my_mols[i] = new LinkedMolStamp();
101	}
102
103	}
104
105	MakeStamps::~MakeStamps(){
106
107	int i;
108
109	for( i=0; i<hash_size; i++ ){
110	if( my_mols[i] != NULL ) delete my_mols[i];
111	}
112	delete[] my_mols;
113	}
114
115	int MakeStamps::hash( char* text ){
116
117	register unsigned short int i = 0; // loop counter
118	int key = 0; // the hash key
119
120	while( text[i] != '\0' ){
121
122	key = ( ( key << hash_shift ) + text[i] ) % hash_size;
123
124	i++;
125	}
126
127	if( key < 0 ){
128
129	// if the key is less than zero, we've had an overflow error
130
131	sprintf( painCave.errMsg,
132	"There has been an overflow error in the MakeStamps hash key.");
133	painCave.isFatal = 1;
134	simError();
135	#ifdef IS_MPI
136	if( painCave.isEventLoop ){
137	if( worldRank == 0 ) mpiInterfaceExit();
138	}
139	#endif //is_mpi
140	}
141
142	return key;
143	}
144
145	LinkedMolStamp* MakeStamps::extractMolStamp( char* the_id ){
146	int key;
147
148	key = hash( the_id );
149	if( my_mols[key] != NULL ){
150	return my_mols[key]->extract( the_id );
151	}
152
153	return NULL;
154	}
155
156	void MakeStamps::addMolStamp( MoleculeStamp* the_stamp ){
157
158	int key;
159	LinkedMolStamp* linked_mol;
160
161	key = hash( the_stamp->getID() );
162
163	linked_mol = new LinkedMolStamp;
164	linked_mol->setStamp( the_stamp );
165
166	my_mols[key]->add( linked_mol );
167
168	}
169
170
171	int MakeStamps::newMolecule( event* the_event ){
172
173	current_mol = new MoleculeStamp;
174	return 1;
175	}
176
177	int MakeStamps::moleculeAssign( event* the_event ){
178
179	switch( the_event->evt.asmt.asmt_type ){
180
181	case STRING:
182	the_event->err_msg = current_mol->assignString( the_event->evt.asmt.lhs,
183	the_event->evt.asmt.rhs.sval );
184	break;
185
186	case DOUBLE:
187	the_event->err_msg = current_mol->assignDouble( the_event->evt.asmt.lhs,
188	the_event->evt.asmt.rhs.dval );
189	break;
190
191	case INT:
192	the_event->err_msg = current_mol->assignInt( the_event->evt.asmt.lhs,
193	the_event->evt.asmt.rhs.ival );
194	break;
195
196	default:
197	the_event->err_msg = strdup( "MakeStamp error. Invalid molecule"
198	" assignment type" );
199	return 0;
200	break;
201	}
202	if( the_event->err_msg != NULL ) return 0;
203	return 1;
204	}
205
206	int MakeStamps::moleculeEnd( event* the_event ){
207
208	the_event->err_msg = current_mol->checkMe();
209	// if err_msg is set, then something is wrong
210	if( the_event->err_msg != NULL ) return 0;
211
212	addMolStamp( current_mol );
213	return 1;
214	}
215
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,
313	the_event->evt.pos.y,
314	the_event->evt.pos.z );
315	return 1;
316	}
317
318
319	int MakeStamps::atomOrientation( event* the_event ){
320
321	current_atom->setOrientation( the_event->evt.ornt.x,
322	the_event->evt.ornt.y,
323	the_event->evt.ornt.z );
324	return 1;
325	}
326
327	int MakeStamps::atomAssign( event* the_event ){
328
329	switch( the_event->evt.asmt.asmt_type ){
330
331	case STRING:
332	the_event->err_msg =
333	current_atom->assignString( the_event->evt.asmt.lhs,
334	the_event->evt.asmt.rhs.sval );
335	if( the_event->err_msg != NULL ) return 0;
336	return 1;
337	break;
338
339	case DOUBLE:
340	the_event->err_msg =
341	current_atom->assignDouble( the_event->evt.asmt.lhs,
342	the_event->evt.asmt.rhs.dval );
343	if( the_event->err_msg != NULL ) return 0;
344	return 1;
345	break;
346
347	case INT:
348	the_event->err_msg =
349	current_atom->assignInt( the_event->evt.asmt.lhs,
350	the_event->evt.asmt.rhs.ival );
351	if( the_event->err_msg != NULL ) return 0;
352	return 1;
353	break;
354
355	default:
356	the_event->err_msg = strdup( "MakeStamp error. Invalid atom"
357	" assignment type" );
358	return 0;
359	break;
360	}
361	return 0;
362	}
363
364	int MakeStamps::atomEnd( event* the_event ){
365
366	the_event->err_msg = current_atom->checkMe();
367	if( the_event->err_msg != NULL ) return 0;
368
369	return 1;
370	}
371
372	int MakeStamps::newBond( event* the_event ){
373
374	current_bond = new BondStamp;
375
376	the_event->err_msg = current_mol->addBond( current_bond,
377	the_event->evt.blk_index );
378	if( the_event->err_msg != NULL ) return 0;
379
380	return 1;
381	}
382
383	int MakeStamps::bondAssign( event* the_event ){
384
385	switch( the_event->evt.asmt.asmt_type ){
386
387	case STRING:
388	current_bond->assignString( the_event->evt.asmt.lhs,
389	the_event->evt.asmt.rhs.sval );
390	return 1;
391	break;
392
393	case DOUBLE:
394	current_bond->assignDouble( the_event->evt.asmt.lhs,
395	the_event->evt.asmt.rhs.dval );
396	return 1;
397	break;
398
399	case INT:
400	current_bond->assignInt( the_event->evt.asmt.lhs,
401	the_event->evt.asmt.rhs.ival );
402	return 1;
403	break;
404
405	default:
406	the_event->err_msg = strdup( "MakeStamp error. Invalid bond"
407	" assignment type" );
408	return 0;
409	break;
410	}
411	return 0;
412	}
413
414	int MakeStamps::bondMember( event* the_event ){
415
416	current_bond->members( the_event->evt.mbr.a,
417	the_event->evt.mbr.b );
418	return 1;
419	}
420
421	int MakeStamps::bondConstraint( event* the_event ){
422
423	current_bond->constrain( the_event->evt.cnstr );
424	return 1;
425	}
426
427	int MakeStamps::bondEnd( event* the_event ){
428
429	the_event->err_msg = current_bond->checkMe();
430	if( the_event->err_msg != NULL ) return 0;
431
432	return 1;
433	}
434
435	int MakeStamps::newBend( event* the_event ){
436
437	current_bend = new BendStamp;
438
439	the_event->err_msg = current_mol->addBend( current_bend,
440	the_event->evt.blk_index );
441	if( the_event->err_msg != NULL ) return 0;
442
443	return 1;
444	}
445
446	int MakeStamps::bendAssign( event* the_event ){
447
448	switch( the_event->evt.asmt.asmt_type ){
449
450	case STRING:
451	current_bend->assignString( the_event->evt.asmt.lhs,
452	the_event->evt.asmt.rhs.sval );
453	return 1;
454	break;
455
456	case DOUBLE:
457	current_bend->assignDouble( the_event->evt.asmt.lhs,
458	the_event->evt.asmt.rhs.dval );
459	return 1;
460	break;
461
462	case INT:
463	current_bend->assignInt( the_event->evt.asmt.lhs,
464	the_event->evt.asmt.rhs.ival );
465	return 1;
466	break;
467
468	default:
469	the_event->err_msg = strdup( "MakeStamp error. Invalid bend"
470	" assignment type" );
471	return 0;
472	break;
473	}
474	return 0;
475	}
476
477	int MakeStamps::bendMember( event* the_event ){
478
479	current_bend->members( the_event->evt.mbr.a,
480	the_event->evt.mbr.b,
481	the_event->evt.mbr.c );
482	return 1;
483	}
484
485	int MakeStamps::bendConstraint( event* the_event ){
486
487	current_bend->constrain( the_event->evt.cnstr );
488	return 1;
489	}
490
491	int MakeStamps::bendEnd( event* the_event ){
492
493	the_event->err_msg = current_bend->checkMe();
494	if( the_event->err_msg != NULL ) return 0;
495
496	return 1;
497	}
498
499	int MakeStamps::newTorsion( event* the_event ){
500
501	current_torsion = new TorsionStamp;
502
503	the_event->err_msg = current_mol->addTorsion( current_torsion,
504	the_event->evt.blk_index );
505	if( the_event->err_msg != NULL ) return 0;
506
507	return 1;
508	}
509
510	int MakeStamps::torsionAssign( event* the_event ){
511
512	switch( the_event->evt.asmt.asmt_type ){
513
514	case STRING:
515	current_torsion->assignString( the_event->evt.asmt.lhs,
516	the_event->evt.asmt.rhs.sval );
517	return 1;
518	break;
519
520	case DOUBLE:
521	current_torsion->assignDouble( the_event->evt.asmt.lhs,
522	the_event->evt.asmt.rhs.dval );
523	return 1;
524	break;
525
526	case INT:
527	current_torsion->assignInt( the_event->evt.asmt.lhs,
528	the_event->evt.asmt.rhs.ival );
529	return 1;
530	break;
531
532	default:
533	the_event->err_msg = strdup( "MakeStamp error. Invalid torsion"
534	" assignment type" );
535	return 0;
536	break;
537	}
538	return 0;
539	}
540
541	int MakeStamps::torsionMember( event* the_event ){
542
543	current_torsion->members( the_event->evt.mbr.a,
544	the_event->evt.mbr.b,
545	the_event->evt.mbr.c,
546	the_event->evt.mbr.d );
547	return 1;
548	}
549
550	int MakeStamps::torsionConstraint( event* the_event ){
551
552	current_torsion->constrain( the_event->evt.cnstr );
553	return 1;
554	}
555
556	int MakeStamps::torsionEnd( event* the_event ){
557
558	the_event->err_msg = current_torsion->checkMe();
559	if( the_event->err_msg != NULL ) return 0;
560
561	return 1;
562	}