Changeset 584691 for molecuilder

Timestamp:

Apr 29, 2008, 7:16:32 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

7e2c5c

Parents:

2456db

Message:

bugfix in main: without arguments, code would crash due to access of argv[1]

This bug was introduced because of the huge changes in the command line parsing. Changed the beginning if (argv >= 1) to >1 and put element db and configpath/name scan into else statement.

File:

• molecuilder/src/builder.cpp (modified) (4 diffs)

molecuilder/src/builder.cpp

@@ -698 +698 @@
   mol->CalculateOrbitals(*configuration);
   configuration->InitMaxMinStopStep = configuration->MaxMinStopStep = configuration->MaxPsiDouble;
-  if (ConfigFileName != NULL)
+  if (ConfigFileName != NULL) {
     output.open(ConfigFileName, ios::trunc);
-  if (output == NULL)
-    output.open("main_pcp_linux", ios::trunc);
+  } else {
+    output.open(configuration->configname, ios::trunc);
+  }
   if (configuration->Save(&output, periode, mol))
     cout << Verbose(0) << "Saving of config file successful." << endl;
@@ -725 +726 @@
   output.close();
   output.clear();
+  
   if (!strcmp(configuration->configpath, configuration->GetDefaultPath())) {
     cerr << "WARNING: config is found under different path then stated in config file::defaultpath!" << endl;
@@ -765 +767 @@
 
   // =========================== PARSE COMMAND LINE OPTIONS ====================================
-  if (argc >= 1) { // config file specified as option
+  if (argc > 1) { // config file specified as option
     // 1. : Parse options that just set variables or print help
         argptr = 1;
@@ -1018 +1020 @@
       return (0);
     }
+  } else {  // no arguments, hence scan the elements db
+    if (periode->LoadPeriodentafel(ElementsFileName))
+      cout << Verbose(0) << "Element list loaded successfully." << endl;
+    else
+      cout << Verbose(0) << "Element list loading failed." << endl;
+    config_present = absent;
+    configuration.RetrieveConfigPathAndName("main_pcp_linux");
   }