Changeset c6ddcb for src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp

Timestamp:

Sep 14, 2016, 6:42:52 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

028790

Parents:

c24071

git-author:

Frederik Heber <heber@…> (03/10/16 14:40:45)

git-committer:

Frederik Heber <heber@…> (09/14/16 18:42:52)

Message:

Added getRoughBoundingBox to SaturatedFragment.

File:

• src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp (modified) (4 diffs)

src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp

@@ -20 +20 @@
 #include "Fragmentation/Exporters/SaturatedFragment.hpp"
 
+class element;
 class KeySet;
+class molecule;
 
 /********************************************** Test classes **************************************/
@@ -28 +30 @@
     CPPUNIT_TEST_SUITE( SaturatedFragmentTest) ;
     CPPUNIT_TEST ( getKeySet_Test );
+    CPPUNIT_TEST ( getRoughBoundingBox );
     CPPUNIT_TEST_SUITE_END();
 
@@ -34 +37 @@
       void tearDown();
       void getKeySet_Test();
+      void getRoughBoundingBox();
 
 private:
@@ -40 +44 @@
       KeySet *set;
       SaturatedFragment *fragment;
+
+      molecule *TestMolecule;
+      const element *hydrogen;
+      const element *oxygen;
 };