Changeset 543ce4 for molecuilder/src/periodentafel.cpp

Timestamp:

Nov 4, 2009, 7:56:04 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

4ef101, aa8542

Parents:

ec70ec

Message:

Huge change from ofstream * (const) out --> Log().

• first shift was done via regular expressions
• then via error messages from the code
• note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
• make check runs fine
• MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/periodentafel.cpp (modified) (11 diffs)

molecuilder/src/periodentafel.cpp

@@ -13 +13 @@
 #include "helpers.hpp"
 #include "lists.hpp"
+#include "log.hpp"
 #include "periodentafel.hpp"
 #include "verbose.hpp"
@@ -47 +48 @@
   pointer->sort = &pointer->Z;
   if (pointer->Z < 1 && pointer->Z >= MAX_ELEMENTS)
-    cout << Verbose(0) << "Invalid Z number!\n";
+    Log() << Verbose(0) << "Invalid Z number!\n";
   return add(pointer, end);
 };
@@ -102 +103 @@
   int Z;
   do {
-    cout << Verbose(0) << "Atomic number Z: ";
+    Log() << Verbose(0) << "Atomic number Z: ";
     cin >> Z;
     walker = this->FindElement(Z);  // give type
@@ -116 +117 @@
   element *walker = NULL;
   int Z = -1;
-  cout << Verbose(0) << "Atomic number: " << Z << endl;
+  Log() << Verbose(0) << "Atomic number: " << Z << endl;
   cin >> Z;
   walker = FindElement(Z);
   if (walker == NULL) {
-    cout << Verbose(0) << "Element not found in database, please enter." << endl;
+    Log() << Verbose(0) << "Element not found in database, please enter." << endl;
     walker = new element;
     walker->Z = Z;
-    cout << Verbose(0) << "Mass: " << endl;
+    Log() << Verbose(0) << "Mass: " << endl;
     cin >> walker->mass;
-    cout << Verbose(0) << "Name [max 64 chars]: " << endl;
+    Log() << Verbose(0) << "Name [max 64 chars]: " << endl;
     cin >> walker->name;
-    cout << Verbose(0) << "Short form [max 3 chars]: " << endl;
+    Log() << Verbose(0) << "Short form [max 3 chars]: " << endl;
     cin >> walker->symbol;
     periodentafel::AddElement(walker);
@@ -196 +197 @@
     infile.getline(header1, MAXSTRINGSIZE);
     infile.getline(header2, MAXSTRINGSIZE); // skip first two header lines
-    cout <<  "Parsed elements:";
+    Log() << Verbose(0) <<  "Parsed elements:";
     while (!infile.eof()) {
       element *neues = new element;
@@ -218 +219 @@
       //infile >> ws;
       infile >> ws;
-      cout << " " << neues->symbol;
+      Log() << Verbose(0) << " " << neues->symbol;
       //neues->Output((ofstream *)&cout);
       if ((neues->Z > 0) && (neues->Z < MAX_ELEMENTS))
         periodentafel::AddElement(neues);
       else {
-        cout << "Could not parse element: ";
+        Log() << Verbose(0) << "Could not parse element: ";
         neues->Output((ofstream *)&cout);
         delete(neues);
       }
     }
-    cout << endl;
+    Log() << Verbose(0) << endl;
     infile.close();
     infile.clear();
@@ -245 +246 @@
       infile >> FindElement((int)tmp)->Valence;
       infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->Valence << " valence electrons." << endl;
+      //Log() << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->Valence << " valence electrons." << endl;
     }
     infile.close();
@@ -263 +264 @@
       infile >> FindElement((int)tmp)->NoValenceOrbitals;
       infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->NoValenceOrbitals << " number of singly occupied valence orbitals." << endl;
+      //Log() << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->NoValenceOrbitals << " number of singly occupied valence orbitals." << endl;
     }
     infile.close();
@@ -284 +285 @@
       infile >> ptr->HBondDistance[2];
       infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->HBondDistance[0] << " Angstrom typical distance to hydrogen." << endl;
+      //Log() << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->HBondDistance[0] << " Angstrom typical distance to hydrogen." << endl;
     }
     infile.close();
@@ -305 +306 @@
       infile >> ptr->HBondAngle[2];
       infile >> ws;
-      //cout << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->HBondAngle[0] << ", " << FindElement((int)tmp)->HBondAngle[1] << ", " << FindElement((int)tmp)->HBondAngle[2] << " degrees bond angle for one, two, three connected hydrogens." << endl;
+      //Log() << Verbose(3) << "Element " << (int)tmp << " has " << FindElement((int)tmp)->HBondAngle[0] << ", " << FindElement((int)tmp)->HBondAngle[1] << ", " << FindElement((int)tmp)->HBondAngle[2] << " degrees bond angle for one, two, three connected hydrogens." << endl;
     }
     infile.close();
@@ -312 +313 @@
 
   if (!otherstatus)
-    cerr << "WARNING: Something went wrong while parsing the other databases!" << endl;
+    eLog() << Verbose(0) << "WARNING: Something went wrong while parsing the other databases!" << endl;
 
   return status;