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root/group/trunk/mdtools/generic_stamps/MoleculeStamp.cpp
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Comparing trunk/mdtools/generic_stamps/MoleculeStamp.cpp (file contents):
Revision 164 by mmeineke, Wed Oct 30 22:38:22 2002 UTC vs.
Revision 165 by mmeineke, Thu Nov 7 17:53:29 2002 UTC

# Line 4 | Line 4
4   #include <iostream>
5  
6   #include "MoleculeStamp.hpp"
7 – #include "simError.h"
7  
8   MoleculeStamp::MoleculeStamp(){
9    
# Line 50 | Line 49 | MoleculeStamp::~MoleculeStamp(){
49    
50   }
51  
52 < void MoleculeStamp::assignString( char* lhs, char* rhs ){
52 > char* MoleculeStamp::assignString( char* lhs, char* rhs ){
53    
54    if( !strcmp( lhs, "name" ) ){
55      strcpy( name, rhs );
# Line 61 | Line 60 | void MoleculeStamp::assignString( char* lhs, char* rhs
60      else unhandled->add( lhs, rhs );
61      have_extras = 1;
62    }
63 +  return NULL;
64   }
65  
66 < void MoleculeStamp::assignDouble( char* lhs, double rhs ){
66 > char* MoleculeStamp::assignDouble( char* lhs, double rhs ){
67    int i;
68  
69    if( !strcmp( lhs, "nAtoms" ) ){
70      n_atoms = (int)rhs;
71      
72      if( have_atoms ){
73 <      sprintf( painCave.errMsg,
73 >      sprintf( errMsg,
74                 "MoleculeStamp error, n_atoms already declared"
75                 "for molecule: %s\n",
76                 name);
77 <      painCave.isFatal = 1;
78 <      simError();
77 >      return strdup( errMsg );
78      }
79      have_atoms = 1;
80      atoms = new AtomStamp*[n_atoms];
# Line 86 | Line 85 | void MoleculeStamp::assignDouble( char* lhs, double rh
85      n_bonds = (int)rhs;
86  
87      if( have_bonds ){
88 <      sprintf( painCave.errMsg,  
88 >      sprintf( errMsg,  
89                 "MoleculeStamp error, n_bonds already declared for"
90                 " molecule: %s\n",
91                 name);
92 <      painCave.isFatal = 1;
94 <      simError();
92 >      return strdup( errMsg );
93      }
94      have_bonds = 1;
95      bonds = new BondStamp*[n_bonds];
# Line 102 | Line 100 | void MoleculeStamp::assignDouble( char* lhs, double rh
100      n_bends = (int)rhs;
101  
102      if( have_bends ){
103 <      sprintf( painCave.errMsg,
103 >      sprintf( errMsg,
104                 "MoleculeStamp error, n_bends already declared for"
105                 " molecule: %s\n",
106                 name);
107 <      painCave.isFatal = 1;
110 <      simError();
107 >      return strdup( errMsg );
108      }
109      have_bends = 1;
110      bends = new BendStamp*[n_bends];
# Line 118 | Line 115 | void MoleculeStamp::assignDouble( char* lhs, double rh
115      n_torsions = (int)rhs;
116  
117      if( have_torsions ){
118 <      sprintf( painCave.errMsg,
118 >      sprintf( errMsg,
119                 "MoleculeStamp error, n_torsions already declared for"
120                 " molecule: %s\n",
121                 name );
122 <      painCave.isFatal = 1;
126 <      simError();
122 >      return strdup( errMsg );
123      }
124      have_torsions = 1;
125      torsions = new TorsionStamp*[n_torsions];
# Line 134 | Line 130 | void MoleculeStamp::assignDouble( char* lhs, double rh
130      else unhandled->add( lhs, rhs );
131      have_extras = 1;
132    }
133 +  return NULL;
134   }
135  
136 < void MoleculeStamp::assignInt( char* lhs, int rhs ){
136 > char*  MoleculeStamp::assignInt( char* lhs, int rhs ){
137    int i;
138    
139    if( !strcmp( lhs, "nAtoms" ) ){
140      n_atoms = rhs;
141      
142      if( have_atoms ){
143 <      sprintf( painCave.errMsg,
143 >      sprintf( errMsg,
144                 "MoleculeStamp error, n_atoms already declared for"
145                 " molecule: %s\n",
146                 name);
147 <      painCave.isFatal = 1;
151 <      simError();
147 >      return strdup( errMsg );
148      }
149      have_atoms = 1;
150      atoms = new AtomStamp*[n_atoms];
# Line 159 | Line 155 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
155      n_bonds = rhs;
156  
157      if( have_bonds ){
158 <      sprintf( painCave.errMsg,
158 >      sprintf( errMsg,
159                 "MoleculeStamp error, n_bonds already declared for"
160                 " molecule: %s\n",
161                 name);
162 <      painCave.isFatal = 1;
167 <      simError();
162 >      return strdup( errMsg );
163      }
164      have_bonds = 1;
165      bonds = new BondStamp*[n_bonds];
# Line 175 | Line 170 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
170      n_bends = rhs;
171  
172      if( have_bends ){
173 <      sprintf( painCave.errMsg,
173 >      sprintf( errMsg,
174                 "MoleculeStamp error, n_bends already declared for"
175                 " molecule: %s\n",
176                 name );
177 <      painCave.isFatal = 1;
183 <      simError();
177 >      return strdup( errMsg );
178      }
179      have_bends = 1;
180      bends = new BendStamp*[n_bends];
# Line 191 | Line 185 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
185      n_torsions = rhs;
186  
187      if( have_torsions ){
188 <      sprintf( painCave.errMsg,
188 >      sprintf( errMsg,
189                 "MoleculeStamp error, n_torsions already declared for"
190                 " molecule: %s\n",
191                 name);
192 <      painCave.isFatal = 1;
199 <      simError();
192 >      return strdup( errMsg );
193      }
194      have_torsions = 1;
195      torsions = new TorsionStamp*[n_torsions];
# Line 207 | Line 200 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
200      else unhandled->add( lhs, rhs );
201      have_extras = 1;
202    }
203 +  return NULL;
204   }
205  
206   char* MoleculeStamp::addAtom( AtomStamp* the_atom, int atomIndex ){

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