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root/group/branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/simpleBuilder.cpp
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Comparing branches/new_design/OOPSE-2.0/src/applications/simpleBuilder/simpleBuilder.cpp (file contents):
Revision 1829 by tim, Thu Dec 2 05:14:58 2004 UTC vs.
Revision 1830 by tim, Thu Dec 2 05:17:10 2004 UTC

# Line 60 | Line 60 | int main(int argc, char *argv []) {
60      latticeType = UpperCase(args_info.latticetype_arg);
61  
62      if (!LatticeFactory::getInstance()->hasLatticeCreator(latticeType)) {
63 <        cerr << latticeType << " is an invalid lattice type" << endl;
64 <        cerr << LatticeFactory::getInstance()->toString() << endl;
63 >        std::cerr << latticeType << " is an invalid lattice type" << std::endl;
64 >        std::cerr << LatticeFactory::getInstance()->toString() << std::endl;
65          exit(1);
66      }
67  
# Line 69 | Line 69 | int main(int argc, char *argv []) {
69      nx = args_info.nx_arg;
70  
71      if (nx <= 0) {
72 <        cerr << "The number of unit cell in h direction must be greater than 0"
73 <            << endl;
72 >        std::cerr << "The number of unit cell in h direction must be greater than 0"
73 >            << std::endl;
74          exit(1);
75      }
76  
77      ny = args_info.ny_arg;
78  
79      if (ny <= 0) {
80 <        cerr << "The number of unit cell in l direction must be greater than 0"
81 <            << endl;
80 >        std::cerr << "The number of unit cell in l direction must be greater than 0"
81 >            << std::endl;
82          exit(1);
83      }
84  
85      nz = args_info.nz_arg;
86  
87      if (nz <= 0) {
88 <        cerr << "The number of unit cell in k direction must be greater than 0"
89 <            << endl;
88 >        std::cerr << "The number of unit cell in k direction must be greater than 0"
89 >            << std::endl;
90          exit(1);
91      }
92  
# Line 94 | Line 94 | int main(int argc, char *argv []) {
94      if (args_info.inputs_num)
95          inputFileName = args_info.inputs[0];
96      else {
97 <        cerr << "You must specify a input file name.\n" << endl;
97 >        std::cerr << "You must specify a input file name.\n" << std::endl;
98          cmdline_parser_print_help();
99          exit(1);
100      }
# Line 103 | Line 103 | int main(int argc, char *argv []) {
103      oldInfo = new SimInfo;
104  
105      if (oldInfo == NULL) {
106 <        cerr << "error in creating SimInfo" << endl;
106 >        std::cerr << "error in creating SimInfo" << std::endl;
107          exit(1);
108      }
109  
110      oldSimSetup = new SimSetup();
111  
112      if (oldSimSetup == NULL) {
113 <        cerr << "error in creating SimSetup" << endl;
113 >        std::cerr << "error in creating SimSetup" << std::endl;
114          exit(1);
115      }
116  
# Line 120 | Line 120 | int main(int argc, char *argv []) {
120      oldSimSetup->createSim();
121  
122      if (oldInfo->nComponents >= 2) {
123 <        cerr << "can not build the system with more than two components"
124 <            << endl;
123 >        std::cerr << "can not build the system with more than two components"
124 >            << std::endl;
125          exit(1);
126      }
127  
# Line 133 | Line 133 | int main(int argc, char *argv []) {
133      simpleLat = LatticeFactory::getInstance()->createLattice(latticeType);
134  
135      if (simpleLat == NULL) {
136 <        cerr << "Error in creating lattice" << endl;
136 >        std::cerr << "Error in creating lattice" << std::endl;
137          exit(1);
138      }
139  
# Line 156 | Line 156 | int main(int argc, char *argv []) {
156  
157          //creat new .md file on fly which corrects the number of molecule    
158          createMdFile(inputFileName, outMdFileName, numMol);
159 <        cerr
159 >        std::cerr
160              << "SimpleBuilder Error: the number of molecule and the density are not matched"
161 <            << endl;
162 <        cerr << "A new .md file: " << outMdFileName
163 <            << " is generated, use it to rerun the simpleBuilder" << endl;
161 >            << std::endl;
162 >        std::cerr << "A new .md file: " << outMdFileName
163 >            << " is generated, use it to rerun the simpleBuilder" << std::endl;
164          exit(1);
165      }
166  
# Line 223 | Line 223 | oldInfo->atoms[i]->setCoords();
223      writer = new DumpWriter(oldInfo);
224  
225      if (writer == NULL) {
226 <        cerr << "error in creating DumpWriter" << endl;
226 >        std::cerr << "error in creating DumpWriter" << std::endl;
227          exit(1);
228      }
229  
230      writer->writeFinal(0);
231      cout << "new initial configuration file: " << outInitFileName
232 <        << " is generated." << endl;
232 >        << " is generated." << std::endl;
233  
234      //delete objects
235  
# Line 264 | Line 264 | void createMdFile(const string&oldMdFileName, const st
264          //correct molecule number
265          if (strstr(buffer, "nMol") != NULL) {
266              sprintf(buffer, "\t\tnMol = %d;", numMol);
267 <            newMdFile << buffer << endl;
267 >            newMdFile << buffer << std::endl;
268          } else
269 <            newMdFile << buffer << endl;
269 >            newMdFile << buffer << std::endl;
270  
271          oldMdFile.getline(buffer, MAXLEN);
272      }

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