Changeset 47d041 for src/Fragmentation/ForceMatrix.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, Candidate_v1.7.0, 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/ForceMatrix.cpp (modified) (5 diffs)

src/Fragmentation/ForceMatrix.cpp

@@ -43 +43 @@
   stringstream line;
 
-  DoLog(0) && (Log() << Verbose(0) << "Parsing force indices for " << MatrixCounter << " matrices." << endl);
+  LOG(0, "Parsing force indices for " << MatrixCounter << " matrices.");
   Indices.resize(MatrixCounter + 1);
   line << name << FRAGMENTPREFIX << FORCESFILE;
   input.open(line.str().c_str(), ios::in);
-  //Log() << Verbose(0) << "Opening " << line.str() << " ... "  << input << endl;
+  //LOG(0, "Opening " << line.str() << " ... "  << input);
   if (input.fail()) {
-    DoLog(0) && (Log() << Verbose(0) << endl << "ForceMatrix::ParseIndices: Unable to open " << line.str() << ", is the directory correct?" << endl);
+    LOG(0, endl << "ForceMatrix::ParseIndices: Unable to open " << line.str() << ", is the directory correct?");
     return false;
   }
@@ -59 +59 @@
     Indices[i].resize(RowCounter[i]);
     FragmentNumber = FixedDigitNumber(MatrixCounter, i);
-    //Log() << Verbose(0) << FRAGMENTPREFIX << FragmentNumber << "[" << RowCounter[i] << "]:";
+    //std::stringstream output;
+    //output << FRAGMENTPREFIX << FragmentNumber << "[" << RowCounter[i] << "]:";
     delete[](FragmentNumber);
     for(int j=0;(j<RowCounter[i]) && (!line.eof());j++) {
       line >> Indices[i][j];
-      //Log() << Verbose(0) << " " << Indices[i][j];
+      //output << " " << Indices[i][j];
     }
-    //Log() << Verbose(0) << endl;
+    //LOG(0, output.str());
   }
   Indices[MatrixCounter].resize(RowCounter[MatrixCounter]);
@@ -92 +93 @@
       int j = Indices[ FragmentNr ][l];
       if (j > RowCounter[MatrixCounter]) {
-        DoeLog(0) && (eLog()<< Verbose(0) << "Current force index " << j << " is greater than " << RowCounter[MatrixCounter] << "!" << endl);
+        ELOG(0, "Current force index " << j << " is greater than " << RowCounter[MatrixCounter] << "!");
         performCriticalExit();
         return false;
       }
       if (j != -1) {
-        //if (j == 0) Log() << Verbose(0) << "Summing onto ion 0, type 0 from fragment " << FragmentNr << ", ion " << l << "." << endl;
+        //if (j == 0) LOG(0, "Summing onto ion 0, type 0 from fragment " << FragmentNr << ", ion " << l << ".");
         for(int k=2;k<ColumnCounter[MatrixCounter];k++)
           Matrix[MatrixCounter][j][k] += sign*Fragments.Matrix[ FragmentNr ][l][k];
@@ -128 +129 @@
     input.open(file.str().c_str(), ios::in);
     if (input.fail()) {
-      DoLog(0) && (Log() << Verbose(0) << endl << "ForceMatrix::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?" << endl);
+      LOG(0, endl << "ForceMatrix::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?");
       return false;
     }
@@ -137 +138 @@
       while (!zeile.eof()) {
         zeile >> nr;
-        //Log() << Verbose(0) << "Current index: " << getNr() << "." << endl;
+        //LOG(0, "Current index: " << getNr() << ".");
         if (nr > RowCounter[MatrixCounter])
           RowCounter[MatrixCounter] = nr;