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 (20 years, 5 months ago) by gezelter
File size:	12361 byte(s)
Log Message:	Fix broken atom assignment for rigid bodies
#	User	Rev	Content
1	mmeineke	790	#include <stdlib.h>
2			#include <stdio.h>
3			#include <string.h>
4	mmeineke	377
5			#include "MakeStamps.hpp"
6			#include "MoleculeStamp.hpp"
7	gezelter	981	#include "RigidBodyStamp.hpp"
8	mmeineke	377	#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	gezelter	747
95			hash_size = 47;
96			hash_shift = 4;
97	mmeineke	377
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	gezelter	957	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	gezelter	981	int MakeStamps::newAtomInMolecule( event* the_event ){
289	mmeineke	377
290			current_atom = new AtomStamp;
291
292			the_event->err_msg = current_mol->addAtom( current_atom,
293			the_event->evt.blk_index );
294	gezelter	981
295	mmeineke	377	if( the_event->err_msg != NULL ) return 0;
296			return 1;
297			}
298
299	gezelter	981	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	mmeineke	377	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			}