Changes in src/builder.cpp [99fcaf:0fb9f6]

File:

• src/builder.cpp (modified) (7 diffs)

src/builder.cpp

@@ -53 +53 @@
 
 #include <cstring>
+#include <cstdlib>
 
 #include "analysis_bonds.hpp"
@@ -1494 +1495 @@
  */
 static int ParseCommandLineOptions(int argc, char **argv, MoleculeListClass *&molecules, periodentafel *&periode,
-                                   config& configuration, char *&ConfigFileName, list<int> &ArgcList)
+                                   config& configuration, char *&ConfigFileName, set<int> &ArgcList)
 {
   Vector x,y,z,n;  // coordinates for absolute point in cell volume
@@ -1525 +1526 @@
           case 'H':
           case '?':
-            ArgcList.push_back(argptr-1);
+            ArgcList.insert(argptr-1);
             return(1);
             break;
           case 'v':
-            ArgcList.push_back(argptr-1);
-            return(1);
+            setVerbosity(atoi(argv[argptr]));
+            ArgcList.insert(argptr-1);
+            ArgcList.insert(argptr);
+            argptr++;
             break;
           case 'V':
-            ArgcList.push_back(argptr-1);
-            ArgcList.push_back(argptr);
-            argptr++;
+            ArgcList.insert(argptr-1);
+            return(1);
             break;
           case 'B':
@@ -2488 +2490 @@
   ActionRegistry::purgeInstance();
   ActionHistory::purgeInstance();
+  Memory::getState();
 }
 
@@ -2499 +2502 @@
     char **Arguments = NULL;
     int ArgcSize = 0;
-    int ExitFlag = 0;
     bool ArgumentsCopied = false;
 
+    // print version check whether arguments are present at all
     cout << ESPACKVersion << endl;
+    if (argc < 2) {
+      cout << "Obtain help with " << argv[0] << " -h." << endl;
+      cleanUp();
+      Memory::getState();
+      return(1);
+    }
+
 
     setVerbosity(0);
@@ -2508 +2518 @@
     ActionHistory::init();
 
+    // from this moment on, we need to be sure to deeinitialize in the correct order
+    // this is handled by the cleanup function
+    atexit(cleanUp);
+
     // Parse command line options and if present create respective UI
     {
-      list<int> ArgcList;
-      ArgcList.push_back(0); // push back program!
-      ArgcList.push_back(1); // push back config file name
+      set<int> ArgcList;
+      ArgcList.insert(0); // push back program!
+      ArgcList.insert(1); // push back config file name
       char ConfigFileName[MAXSTRINGSIZE];
       // handle arguments by ParseCommandLineOptions()
-      ExitFlag = ParseCommandLineOptions(argc,argv,World::getInstance().getMolecules(),World::getInstance().getPeriode(),*World::getInstance().getConfig(), (char *&)ConfigFileName, ArgcList);
+      ParseCommandLineOptions(argc,argv,World::getInstance().getMolecules(),World::getInstance().getPeriode(),*World::getInstance().getConfig(), (char *&)ConfigFileName, ArgcList);
       // copy all remaining arguments to a new argv
       Arguments = Malloc<char *>(ArgcList.size(), "main - **Arguments");
       cout << "The following arguments are handled by CommandLineParser: ";
-      for (list<int>::iterator ArgcRunner = ArgcList.begin(); ArgcRunner != ArgcList.end(); ++ArgcRunner) {
+      for (set<int>::iterator ArgcRunner = ArgcList.begin(); ArgcRunner != ArgcList.end(); ++ArgcRunner) {
         Arguments[ArgcSize] = Malloc<char>(strlen(argv[*ArgcRunner])+2, "main - *Arguments[]");
         strcpy(Arguments[ArgcSize], argv[*ArgcRunner]);
@@ -2558 +2572 @@
   }
 
-  cleanUp();
-  Memory::getState();
-  return (ExitFlag == 1 ? 0 : ExitFlag);
+  return (0);
 }