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root/group/trunk/mdtools/generic_stamps/MoleculeStamp.cpp
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Comparing:
branches/mmeineke/mdtools/generic_stamps/MoleculeStamp.cpp (file contents), Revision 10 by mmeineke, Tue Jul 9 18:40:59 2002 UTC vs.
trunk/mdtools/generic_stamps/MoleculeStamp.cpp (file contents), Revision 160 by mmeineke, Wed Oct 30 22:38:22 2002 UTC

# Line 4 | Line 4
4   #include <iostream>
5  
6   #include "MoleculeStamp.hpp"
7 + #include "simError.h"
8  
9   MoleculeStamp::MoleculeStamp(){
10    
# Line 69 | Line 70 | void MoleculeStamp::assignDouble( char* lhs, double rh
70      n_atoms = (int)rhs;
71      
72      if( have_atoms ){
73 <      std::cerr << "MoleculeStamp error, n_atoms already declared for"
74 <                << " molecule: " << name << "\n";
75 <      exit(1);
73 >      sprintf( painCave.errMsg,
74 >               "MoleculeStamp error, n_atoms already declared"
75 >               "for molecule: %s\n",
76 >               name);
77 >      painCave.isFatal = 1;
78 >      simError();
79      }
80      have_atoms = 1;
81      atoms = new AtomStamp*[n_atoms];
# Line 82 | Line 86 | void MoleculeStamp::assignDouble( char* lhs, double rh
86      n_bonds = (int)rhs;
87  
88      if( have_bonds ){
89 <      std::cerr << "MoleculeStamp error, n_bonds already declared for"
90 <                << " molecule: " << name << "\n";
91 <      exit(1);
89 >      sprintf( painCave.errMsg,  
90 >               "MoleculeStamp error, n_bonds already declared for"
91 >               " molecule: %s\n",
92 >               name);
93 >      painCave.isFatal = 1;
94 >      simError();
95      }
96      have_bonds = 1;
97      bonds = new BondStamp*[n_bonds];
# Line 95 | Line 102 | void MoleculeStamp::assignDouble( char* lhs, double rh
102      n_bends = (int)rhs;
103  
104      if( have_bends ){
105 <      std::cerr << "MoleculeStamp error, n_bends already declared for"
106 <                << " molecule: " << name << "\n";
107 <      exit(1);
105 >      sprintf( painCave.errMsg,
106 >               "MoleculeStamp error, n_bends already declared for"
107 >               " molecule: %s\n",
108 >               name);
109 >      painCave.isFatal = 1;
110 >      simError();
111      }
112      have_bends = 1;
113      bends = new BendStamp*[n_bends];
# Line 108 | Line 118 | void MoleculeStamp::assignDouble( char* lhs, double rh
118      n_torsions = (int)rhs;
119  
120      if( have_torsions ){
121 <      std::cerr << "MoleculeStamp error, n_torsions already declared for"
122 <                << " molecule: " << name << "\n";
123 <      exit(1);
121 >      sprintf( painCave.errMsg,
122 >               "MoleculeStamp error, n_torsions already declared for"
123 >               " molecule: %s\n",
124 >               name );
125 >      painCave.isFatal = 1;
126 >      simError();
127      }
128      have_torsions = 1;
129      torsions = new TorsionStamp*[n_torsions];
# Line 130 | Line 143 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
143      n_atoms = rhs;
144      
145      if( have_atoms ){
146 <      std::cerr << "MoleculeStamp error, n_atoms already declared for"
147 <                << " molecule: " << name << "\n";
148 <      exit(1);
146 >      sprintf( painCave.errMsg,
147 >               "MoleculeStamp error, n_atoms already declared for"
148 >               " molecule: %s\n",
149 >               name);
150 >      painCave.isFatal = 1;
151 >      simError();
152      }
153      have_atoms = 1;
154      atoms = new AtomStamp*[n_atoms];
# Line 143 | Line 159 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
159      n_bonds = rhs;
160  
161      if( have_bonds ){
162 <      std::cerr << "MoleculeStamp error, n_bonds already declared for"
163 <                << " molecule: " << name << "\n";
164 <      exit(1);
162 >      sprintf( painCave.errMsg,
163 >               "MoleculeStamp error, n_bonds already declared for"
164 >               " molecule: %s\n",
165 >               name);
166 >      painCave.isFatal = 1;
167 >      simError();
168      }
169      have_bonds = 1;
170      bonds = new BondStamp*[n_bonds];
# Line 156 | Line 175 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
175      n_bends = rhs;
176  
177      if( have_bends ){
178 <      std::cerr << "MoleculeStamp error, n_bends already declared for"
179 <                << " molecule: " << name << "\n";
180 <      exit(1);
178 >      sprintf( painCave.errMsg,
179 >               "MoleculeStamp error, n_bends already declared for"
180 >               " molecule: %s\n",
181 >               name );
182 >      painCave.isFatal = 1;
183 >      simError();
184      }
185      have_bends = 1;
186      bends = new BendStamp*[n_bends];
# Line 169 | Line 191 | void MoleculeStamp::assignInt( char* lhs, int rhs ){
191      n_torsions = rhs;
192  
193      if( have_torsions ){
194 <      std::cerr << "MoleculeStamp error, n_torsions already declared for"
195 <                << " molecule: " << name << "\n";
196 <      exit(1);
194 >      sprintf( painCave.errMsg,
195 >               "MoleculeStamp error, n_torsions already declared for"
196 >               " molecule: %s\n",
197 >               name);
198 >      painCave.isFatal = 1;
199 >      simError();
200      }
201      have_torsions = 1;
202      torsions = new TorsionStamp*[n_torsions];

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