Changeset 543ce4 for molecuilder/src/datacreator.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/datacreator.cpp (modified) (14 diffs)

molecuilder/src/datacreator.cpp

@@ -25 +25 @@
   output.open(name.str().c_str(), ios::out);
   if (output == NULL) {
-    cout << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
+    Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
     return false;
   }
@@ -43 +43 @@
   output.open(name.str().c_str(), ios::app);
   if (output == NULL) {
-    cout << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
+    Log() << Verbose(0) << "Unable to open " << name.str() << " for writing, is directory correct?" << endl;
     return false;
   }
@@ -63 +63 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "#Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
@@ -96 +96 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "#Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
@@ -133 +133 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
@@ -165 +165 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# Order\tFrag.No.\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
@@ -198 +198 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
   Fragments.SetLastMatrix(Force.Matrix[Force.MatrixCounter], 0);
   for (int BondOrder=0;BondOrder<KeySets.Order;BondOrder++) {
-    //cout << "Current order is " << BondOrder << "." << endl;
+    //Log() << Verbose(0) << "Current order is " << BondOrder << "." << endl;
     Fragments.SumSubForces(Fragments, KeySets, BondOrder, -1.);
     // errors per atom
@@ -244 +244 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
   for (int BondOrder=0;BondOrder<KeySets.Order;BondOrder++) {
-    //cout << "Current order is " << BondOrder << "." << endl;
+    //Log() << Verbose(0) << "Current order is " << BondOrder << "." << endl;
     Fragments.SumSubForces(Fragments, KeySets, BondOrder, 1.);
     // errors per atom
@@ -281 +281 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false; 
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# AtomNo\t" << Fragments.Header[Fragments.MatrixCounter] << endl;
   Fragments.SetLastMatrix(Hessian.Matrix[Hessian.MatrixCounter], 0);
   for (int BondOrder=0;BondOrder<KeySets.Order;BondOrder++) {
-    //cout << "Current order is " << BondOrder << "." << endl;
+    //Log() << Verbose(0) << "Current order is " << BondOrder << "." << endl;
     Fragments.SumSubHessians(Fragments, KeySets, BondOrder, -1.);
     // errors per atom
@@ -321 +321 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false; 
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# AtomNo\t";
@@ -331 +331 @@
   output << Fragments.RowCounter[ Fragments.MatrixCounter ] << "\t";
   for (int BondOrder=0;BondOrder<KeySets.Order;BondOrder++) {
-    //cout << "Current order is " << BondOrder << "." << endl;
+    //Log() << Verbose(0) << "Current order is " << BondOrder << "." << endl;
     Fragments.SumSubHessians(Fragments, KeySets, BondOrder, -1.);
     // frobenius norm of errors per atom
@@ -363 +363 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false; 
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "# AtomNo\t" << Fragments.Header[ Fragments.MatrixCounter ] << endl;
   Fragments.SetLastMatrix(0., 0);
   for (int BondOrder=0;BondOrder<KeySets.Order;BondOrder++) {
-    //cout << "Current order is " << BondOrder << "." << endl;
+    //Log() << Verbose(0) << "Current order is " << BondOrder << "." << endl;
     Fragments.SumSubHessians(Fragments, KeySets, BondOrder, 1.);
     // errors per atom
@@ -393 +393 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum << endl;
   output << "#Order\tFrag.No.\t" << Fragment.Header[ Fragment.MatrixCounter ] << endl;
@@ -458 +458 @@
   filename << prefix << ".dat";
   if (!OpenOutputFile(output, dir, filename.str().c_str())) return false;
-  cout << msg << endl;
+  Log() << Verbose(0) << msg << endl;
   output << "# " << msg << ", created on " << datum;
   output << "#Order\tFrag.No.\t" << Fragment.Header[ Fragment.MatrixCounter ] << endl;