Changeset a67d19 for src/periodentafel.cpp

Timestamp:

Apr 22, 2010, 2:00:03 PM (15 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:

299554

Parents:

6613ec

Message:

Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) << ...);

Most of the files are affected, but this is necessary as if DoLog() says verbosity is not enough, all the stream operators won"t get executed which saves substantial amount of computation time.

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

File:

• src/periodentafel.cpp (modified) (5 diffs)

src/periodentafel.cpp

@@ -49 +49 @@
   pointer->sort = &pointer->Z;
   if (pointer->Z < 1 && pointer->Z >= MAX_ELEMENTS)
-    Log() << Verbose(0) << "Invalid Z number!\n";
+    DoLog(0) && (Log() << Verbose(0) << "Invalid Z number!\n");
   return add(pointer, end);
 };
@@ -104 +104 @@
   int Z;
   do {
-    Log() << Verbose(0) << "Atomic number Z: ";
+    DoLog(0) && (Log() << Verbose(0) << "Atomic number Z: ");
     cin >> Z;
     walker = this->FindElement(Z);  // give type
@@ -118 +118 @@
   element *walker = NULL;
   int Z = -1;
-  Log() << Verbose(0) << "Atomic number: " << Z << endl;
+  DoLog(0) && (Log() << Verbose(0) << "Atomic number: " << Z << endl);
   cin >> Z;
   walker = FindElement(Z);
   if (walker == NULL) {
-    Log() << Verbose(0) << "Element not found in database, please enter." << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Element not found in database, please enter." << endl);
     walker = new element;
     walker->Z = Z;
-    Log() << Verbose(0) << "Mass: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Mass: " << endl);
     cin >> walker->mass;
-    Log() << Verbose(0) << "Name [max 64 chars]: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Name [max 64 chars]: " << endl);
     cin >> walker->name;
-    Log() << Verbose(0) << "Short form [max 3 chars]: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Short form [max 3 chars]: " << endl);
     cin >> walker->symbol;
     periodentafel::AddElement(walker);
@@ -198 +198 @@
     infile.getline(header1, MAXSTRINGSIZE);
     infile.getline(header2, MAXSTRINGSIZE); // skip first two header lines
-    Log() << Verbose(0) <<  "Parsed elements:";
+    DoLog(0) && (Log() << Verbose(0) <<  "Parsed elements:");
     while (!infile.eof()) {
       element *neues = new element;
@@ -220 +220 @@
       //infile >> ws;
       infile >> ws;
-      Log() << Verbose(0) << " " << neues->symbol;
+      DoLog(0) && (Log() << Verbose(0) << " " << neues->symbol);
       //neues->Output((ofstream *)&cout);
       if ((neues->Z > 0) && (neues->Z < MAX_ELEMENTS))
         periodentafel::AddElement(neues);
       else {
-        Log() << Verbose(0) << "Could not parse element: ";
+        DoLog(0) && (Log() << Verbose(0) << "Could not parse element: ");
         neues->Output((ofstream *)&cout);
         delete(neues);
       }
     }
-    Log() << Verbose(0) << endl;
+    DoLog(0) && (Log() << Verbose(0) << endl);
     infile.close();
     infile.clear();