Changeset 47d041 for src/Fragmentation/MatrixContainer.cpp

Timestamp:

Nov 3, 2011, 7:44:01 PM (14 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

41a467

Parents:

50e4e5

git-author:

Frederik Heber <heber@…> (10/27/11 11:53:58)

git-committer:

Frederik Heber <heber@…> (11/03/11 19:44:01)

Message:

HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and ELOG().

• Replaced DoLog(.) && (Log() << Verbose(.) << ... << std::endl) by Log(., ...).
• Replaced Log() << Verbose(.) << .. << by Log(., ...)
• on multiline used stringstream to generate and message which was finally used in LOG(., output.str())
• there should be no more occurence of Log(). LOG() and ELOG() must be used instead.
• Eventually, this will allow for storing all errors and re-printing them on program exit which would be very helpful to ascertain error-free runs for the user.

File:

• src/Fragmentation/MatrixContainer.cpp (modified) (19 diffs)

src/Fragmentation/MatrixContainer.cpp

@@ -56 +56 @@
 bool MatrixContainer::InitialiseIndices(class MatrixContainer *_container)
 {
-  DoLog(0) && (Log() << Verbose(0) << "Initialising indices");
   if (_container == NULL) {
-    DoLog(0) && (Log() << Verbose(0) << " with trivial mapping." << endl);
+    LOG(0, "Initialising indices with trivial mapping.");
     Indices.resize(MatrixCounter + 1);
     for(int i=MatrixCounter+1;i--;) {
@@ -66 +65 @@
     }
   } else {
-    DoLog(0) && (Log() << Verbose(0) << " from other MatrixContainer." << endl);
+    std::stringstream output;
     if (MatrixCounter != _container->MatrixCounter)
       return false;
@@ -76 +75 @@
       for(int j=_container->RowCounter[i];j--;) {
         Indices[i][j] = _container->Indices[i][j];
-        //Log() << Verbose(0) << Indices[i][j] << "\t";
+        output << Indices[i][j] << "\t";
       }
-      //Log() << Verbose(0) << endl;
-    }
+    }
+    LOG(0, "Initialising indices from other MatrixContainer: " << output.str());
   }
   return true;
@@ -104 +103 @@
 
   if (input.fail()) {
-    DoeLog(1) && (eLog()<< Verbose(1) << endl << "MatrixContainer::ParseMatrix: Unable to parse istream." << endl);
+    ELOG(1, endl << "MatrixContainer::ParseMatrix: Unable to parse istream.");
     //performCriticalExit();
     return false;
@@ -119 +118 @@
   for(int k=skipcolumns;k--;)
     line >> Header[MatrixNr];
-  Log() << Verbose(0) << line.str() << endl;
+  LOG(0, line.str());
 
   // scan header for number of columns
@@ -129 +128 @@
       ColumnCounter[MatrixNr]++;
   }
-  Log() << Verbose(0) << line.str() << endl;
-  Log() << Verbose(1) << "ColumnCounter[" << MatrixNr << "]: " << ColumnCounter[MatrixNr] << "." << endl;
+  LOG(0, line.str());
+  LOG(1, "ColumnCounter[" << MatrixNr << "]: " << ColumnCounter[MatrixNr] << ".");
   if (ColumnCounter[MatrixNr] == 0) {
-    DoeLog(0) && (eLog()<< Verbose(0) << "ColumnCounter[" << MatrixNr << "]: " << ColumnCounter[MatrixNr] << " from ostream." << endl);
+    ELOG(0, "ColumnCounter[" << MatrixNr << "]: " << ColumnCounter[MatrixNr] << " from ostream.");
     performCriticalExit();
   }
@@ -142 +141 @@
   while (!input.eof()) {
     input.getline(filename, 1023);
-    Log() << Verbose(0) << "Comparing: " << strncmp(filename,"MeanForce",9) << endl;
+    LOG(0, "Comparing: " << strncmp(filename,"MeanForce",9));
     RowCounter[MatrixNr]++; // then line was not last MeanForce
     if (strncmp(filename,"MeanForce", 9) == 0) {
@@ -148 +147 @@
     }
   }
-  Log() << Verbose(1) << "RowCounter[" << MatrixNr << "]: " << RowCounter[MatrixNr] << " from input stream." << endl;
+  LOG(1, "RowCounter[" << MatrixNr << "]: " << RowCounter[MatrixNr] << " from input stream.");
   if (RowCounter[MatrixNr] == 0) {
-    DoeLog(0) && (eLog()<< Verbose(0) << "RowCounter[" << MatrixNr << "]: " << RowCounter[MatrixNr] << " from input stream." << endl);
+    ELOG(0, "RowCounter[" << MatrixNr << "]: " << RowCounter[MatrixNr] << " from input stream.");
     performCriticalExit();
   }
@@ -177 +176 @@
     input.getline(dummy, 1023);    // skip header
   line.str(dummy);
-  Log() << Verbose(0) << "Header: " << line.str() << endl;
+  LOG(0, "Header: " << line.str());
   for(int k=skipcolumns;k--;)  // skip columns in header too
     line >> filename;
@@ -183 +182 @@
   for(int j=0;j<RowCounter[MatrixNr];j++) {
     input.getline(filename, 1023);
-    stringstream lines(filename);
-    Log() << Verbose(2) << "Matrix at level " << j << ":";// << filename << endl;
+    std::stringstream lines(filename);
+    std::stringstream output;
+    output << "INFO: Matrix at level " << j << ":";// << filename << endl;
     for(int k=skipcolumns;k--;)
       lines >> filename;
     for(int k=0;(k<ColumnCounter[MatrixNr]) && (!lines.eof());k++) {
       lines >> Matrix[MatrixNr][j][k];
-      Log() << Verbose(1) << " " << std::setprecision(2) << Matrix[MatrixNr][j][k] << endl;
-    }
+      output << " " << std::setprecision(2) << Matrix[MatrixNr][j][k] << endl;
+    }
+    LOG(1, output.str());
   }
 
@@ -227 +228 @@
   input.open(file.str().c_str(), ios::in);
   if (input.bad()) {
-    DoLog(0) && (Log() << Verbose(0) << endl << "MatrixContainer::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?" << endl);
+    LOG(0, endl << "MatrixContainer::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?");
     return false;
   }
@@ -236 +237 @@
   }
   input.close();
-  DoLog(0) && (Log() << Verbose(0) << "Determined " << MatrixCounter << " fragments." << endl);
-
-  DoLog(0) && (Log() << Verbose(0) << "Parsing through each fragment and retrieving " << prefix << suffix << "." << endl);
+  LOG(0, "Determined " << MatrixCounter << " fragments.");
+
+  LOG(0, "Parsing through each fragment and retrieving " << prefix << suffix << ".");
   Header.clear();
   Matrix.clear();
@@ -253 +254 @@
     file << name << FRAGMENTPREFIX << FragmentNumber << prefix << suffix;
     std::ifstream input(file.str().c_str());
-    DoLog(0) &&( Log() << Verbose(0) << "Opening " << file.str() << " ... " << endl);
+    LOG(1, "INFO: Opening " << file.str() << " ... ");
     if (!ParseMatrix(input, skiplines, skipcolumns, i)) {
       input.close();
@@ -373 +374 @@
   // go through each order
   for (int CurrentFragment=0;CurrentFragment<KeySets.FragmentsPerOrder[Order];CurrentFragment++) {
-    //Log() << Verbose(0) << "Current Fragment is " << CurrentFragment << "/" << KeySets.OrderSet[Order][CurrentFragment] << "." << endl;
+    //LOG(0, "Current Fragment is " << CurrentFragment << "/" << KeySets.OrderSet[Order][CurrentFragment] << ".");
     // then go per order through each suborder and pick together all the terms that contain this fragment
     for(int SubOrder=0;SubOrder<=Order;SubOrder++) { // go through all suborders up to the desired order
       for (int j=0;j<KeySets.FragmentsPerOrder[SubOrder];j++) { // go through all possible fragments of size suborder
         if (KeySets.Contains(KeySets.OrderSet[Order][CurrentFragment], KeySets.OrderSet[SubOrder][j])) {
-          //Log() << Verbose(0) << "Current other fragment is " << j << "/" << KeySets.OrderSet[SubOrder][j] << "." << endl;
+          //LOG(0, "Current other fragment is " << j << "/" << KeySets.OrderSet[SubOrder][j] << ".");
           // if the fragment's indices are all in the current fragment
           for(int k=0;k<RowCounter[ KeySets.OrderSet[SubOrder][j] ];k++) { // go through all atoms in this fragment
             int m = MatrixValues.Indices[ KeySets.OrderSet[SubOrder][j] ][k];
-            //Log() << Verbose(0) << "Current index is " << k << "/" << m << "." << endl;
+            //LOG(0, "Current index is " << k << "/" << m << ".");
             if (m != -1) { // if it's not an added hydrogen
               for (int l=0;l<RowCounter[ KeySets.OrderSet[Order][CurrentFragment] ];l++) { // look for the corresponding index in the current fragment
-                //Log() << Verbose(0) << "Comparing " << m << " with " << MatrixValues.Indices[ KeySets.OrderSet[Order][CurrentFragment] ][l] << "." << endl;
+                //LOG(0, "Comparing " << m << " with " << MatrixValues.Indices[ KeySets.OrderSet[Order][CurrentFragment] ][l] << ".");
                 if (m == MatrixValues.Indices[ KeySets.OrderSet[Order][CurrentFragment] ][l]) {
                   m = l;
@@ -391 +392 @@
                 }
               }
-              //Log() << Verbose(0) << "Corresponding index in CurrentFragment is " << m << "." << endl;
+              //LOG(0, "Corresponding index in CurrentFragment is " << m << ".");
               if (m > RowCounter[ KeySets.OrderSet[Order][CurrentFragment] ]) {
-                DoeLog(0) && (eLog()<< Verbose(0) << "In fragment No. " << KeySets.OrderSet[Order][CurrentFragment]   << " current force index " << m << " is greater than " << RowCounter[ KeySets.OrderSet[Order][CurrentFragment] ] << "!" << endl);
+                ELOG(0, "In fragment No. " << KeySets.OrderSet[Order][CurrentFragment]   << " current force index " << m << " is greater than " << RowCounter[ KeySets.OrderSet[Order][CurrentFragment] ] << "!");
                 performCriticalExit();
                 return false;
@@ -406 +407 @@
             }
             //if ((ColumnCounter[ KeySets.OrderSet[SubOrder][j] ]>1) && (RowCounter[0]-1 >= 1))
-             //Log() << Verbose(0) << "Fragments[ KeySets.OrderSet[" << Order << "][" << CurrentFragment << "]=" << KeySets.OrderSet[Order][CurrentFragment] << " ][" << RowCounter[0]-1 << "][" << 1 << "] = " <<  Matrix[ KeySets.OrderSet[Order][CurrentFragment] ][RowCounter[0]-1][1] << endl;
+             //LOG(0, "Fragments[ KeySets.OrderSet[" << Order << "][" << CurrentFragment << "]=" << KeySets.OrderSet[Order][CurrentFragment] << " ][" << RowCounter[0]-1 << "][" << 1 << "] = " <<  Matrix[ KeySets.OrderSet[Order][CurrentFragment] ][RowCounter[0]-1][1]);
           }
         } else {
-          //Log() << Verbose(0) << "Fragment " << KeySets.OrderSet[SubOrder][j] << " is not contained in fragment " << KeySets.OrderSet[Order][CurrentFragment] << "." << endl;
+          //LOG(0, "Fragment " << KeySets.OrderSet[SubOrder][j] << " is not contained in fragment " << KeySets.OrderSet[Order][CurrentFragment] << ".");
         }
       }
     }
-   //Log() << Verbose(0) << "Final Fragments[ KeySets.OrderSet[" << Order << "][" << CurrentFragment << "]=" << KeySets.OrderSet[Order][CurrentFragment] << " ][" << KeySets.AtomCounter[0]-1 << "][" << 1 << "] = " <<  Matrix[ KeySets.OrderSet[Order][CurrentFragment] ][KeySets.AtomCounter[0]-1][1] << endl;
+   //LOG(0, "Final Fragments[ KeySets.OrderSet[" << Order << "][" << CurrentFragment << "]=" << KeySets.OrderSet[Order][CurrentFragment] << " ][" << KeySets.AtomCounter[0]-1 << "][" << 1 << "] = " <<  Matrix[ KeySets.OrderSet[Order][CurrentFragment] ][KeySets.AtomCounter[0]-1][1]);
   }
 
@@ -429 +430 @@
   char *FragmentNumber = NULL;
 
-  DoLog(0) && (Log() << Verbose(0) << "Writing fragment files." << endl);
+  LOG(0, "Writing fragment files.");
   for(int i=0;i<MatrixCounter;i++) {
     stringstream line;
@@ -437 +438 @@
     output.open(line.str().c_str(), ios::out);
     if (output == NULL) {
-      DoeLog(0) && (eLog()<< Verbose(0) << "MatrixContainer::WriteTotalFragments: Unable to open output energy file " << line.str() << "!" << endl);
+      ELOG(0, "MatrixContainer::WriteTotalFragments: Unable to open output energy file " << line.str() << "!");
       performCriticalExit();
       return false;
@@ -463 +464 @@
   stringstream line;
 
-  DoLog(0) && (Log() << Verbose(0) << "Writing matrix values of " << suffix << "." << endl);
+  LOG(0, "Writing matrix values of " << suffix << ".");
   line << name << prefix << suffix;
   output.open(line.str().c_str(), ios::out);
   if (output == NULL) {
-    DoeLog(0) && (eLog()<< Verbose(0) << "MatrixContainer::WriteLastMatrix: Unable to open output matrix file " << line.str() << "!" << endl);
+    ELOG(0, "MatrixContainer::WriteLastMatrix: Unable to open output matrix file " << line.str() << "!");
     performCriticalExit();
     return false;