Changeset 120a86

Timestamp:

Oct 18, 2011, 8:22:49 AM (13 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:

9011c1

Parents:

c17091

git-author:

Frederik Heber <heber@…> (10/06/11 13:54:34)

git-committer:

Frederik Heber <heber@…> (10/18/11 08:22:49)

Message:

TESTFIX: Added check whether streams are empty to ParserMpqcUnitTest::writeMpqcTest().

File:

• src/Parser/unittests/ParserMpqcUnitTest.cpp (modified) (4 diffs)

src/Parser/unittests/ParserMpqcUnitTest.cpp

@@ -288 +288 @@
     parser->save(&output, atoms);
     stringstream input(waterMpqc_CLHF);
+    // check for non-empty streams
+    input.peek();
+    output.peek();
+    CPPUNIT_ASSERT(input.good() && output.good());
+    // check equality of streams per line (for debugging)
     for (; std::getline(input, first) && std::getline(output, second); ) {
       //std::cout << "Comparing '" << first << "' to '" << second << "'" << std::endl;
@@ -300 +305 @@
         parser->getParams().getTheoryName(MpqcParser_Parameters::CLKS)
             );
+    parser->save(&output, atoms);
     stringstream input(waterMpqc_CLKS);
+    // check for non-empty streams
+    input.peek();
+    output.peek();
+    CPPUNIT_ASSERT(input.good() && output.good());
+    // check equality of streams per line (for debugging)
     for (; std::getline(input, first) && std::getline(output, second); ) {
       //std::cout << "Comparing '" << first << "' to '" << second << "'" << std::endl;
@@ -313 +324 @@
         parser->getParams().getTheoryName(MpqcParser_Parameters::MBPT2)
             );
+    parser->save(&output, atoms);
     stringstream input(waterMpqc_MBPT2);
+    // check for non-empty streams
+    input.peek();
+    output.peek();
+    CPPUNIT_ASSERT(input.good() && output.good());
+    // check equality of streams per line (for debugging)
     for (; std::getline(input, first) && std::getline(output, second); ) {
       //std::cout << "Comparing '" << first << "' to '" << second << "'" << std::endl;
@@ -326 +343 @@
         parser->getParams().getTheoryName(MpqcParser_Parameters::MBPT2_R12)
             );
+    parser->save(&output, atoms);
     stringstream input(waterMpqc_MBPT2_R12);
+    // check for non-empty streams
+    input.peek();
+    output.peek();
+    CPPUNIT_ASSERT(input.good() && output.good());
+    // check equality of streams per line (for debugging)
     for (; std::getline(input, first) && std::getline(output, second); ) {
       //std::cout << "Comparing '" << first << "' to '" << second << "'" << std::endl;