Changes in src/Parser/XyzParser.cpp [112b09:86cff86]

File:

• src/Parser/XyzParser.cpp (modified) (2 diffs)

src/Parser/XyzParser.cpp

@@ -27 +27 @@
  */
 XyzParser::~XyzParser() {
-  delete(&comment);
 }
 
@@ -58 +57 @@
  */
 void XyzParser::save(ostream* file) {
-  *file << World::getInstance().numAtoms() << endl << comment << endl;
+  if (comment == "") {
+    time_t now = time((time_t *)NULL);   // Get the system time and put it into 'now' as 'calender time'
+    comment = "Created by molecuilder on ";
+    // ctime ends in \n\0, we have to cut away the newline
+    std::string time(ctime(&now));
+    size_t pos = time.find('\n');
+    if (pos != 0)
+      comment += time.substr(0,pos);
+    else
+      comment += time;
+  }
+  *file << World::getInstance().numAtoms() << endl << "\t" << comment << endl;
 
   vector<atom*> atoms = World::getInstance().getAllAtoms();
   for(vector<atom*>::iterator it = atoms.begin(); it != atoms.end(); it++) {
-    *file << fixed << (*it)->getType()->symbol << "\t" << (*it)->x[0] << "\t" << (*it)->x[1] << "\t" << (*it)->x[2] << endl;
+    *file << noshowpoint << (*it)->getType()->symbol << "\t" << (*it)->x[0] << "\t" << (*it)->x[1] << "\t" << (*it)->x[2] << endl;
   }
 }