Changeset 4fbca9c for src/unittests/ParserTremoloUnitTest.hpp

Timestamp:

Dec 5, 2010, 12:01:43 AM (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:

cabb46

Parents:

e828c0

git-author:

Frederik Heber <heber@…> (12/04/10 18:05:33)

git-committer:

Frederik Heber <heber@…> (12/05/10 00:01:43)

Message:

PdbParser::save() fully working.

• added UnitTest for PdbParser.
• split ParserUnitTest into Common and Tremolo.
• split off classes PdbAtomInfoContainer and PdbKey into own modules.
• PdbParser can now load ATOM and CONECT entries.

File:

• src/unittests/ParserTremoloUnitTest.hpp (moved) (moved from src/unittests/ParserUnitTest.hpp ) (4 diffs)

src/unittests/ParserTremoloUnitTest.hpp

@@ -1 +1 @@
 /*
- * ParserUnitTest.hpp
+ * ParserTremoloUnitTest.hpp
  *
  *  Created on: Mar 3, 2010
  *      Author: metzler
  */
-#ifndef PARSERUNITTEST_HPP_
-#define PARSERUNITTEST_HPP_
+#ifndef PARSERTREMOLOUNITTEST_HPP_
+#define PARSERTREMOLOUNITTEST_HPP_
 
 #include <cppunit/extensions/HelperMacros.h>
 #include <string>
 
-class ParserUnitTest :  public CppUnit::TestFixture
+class ParserTremoloUnitTest :  public CppUnit::TestFixture
 {
-  CPPUNIT_TEST_SUITE( ParserUnitTest ) ;
-  CPPUNIT_TEST ( rewriteAnXyzTest );
+  CPPUNIT_TEST_SUITE( ParserTremoloUnitTest ) ;
   CPPUNIT_TEST ( readTremoloPreliminaryCommentsTest );
   CPPUNIT_TEST ( readTremoloCoordinatesTest );
@@ -22 +21 @@
   CPPUNIT_TEST ( readAndWriteTremoloTorsionInformationTest );
   CPPUNIT_TEST ( writeTremoloTest );
-  CPPUNIT_TEST ( readwritePcpTest );
-  CPPUNIT_TEST ( writeMpqcTest );
   CPPUNIT_TEST_SUITE_END();
 
@@ -30 +27 @@
   void tearDown();
 
-  void rewriteAnXyzTest();
   void readTremoloPreliminaryCommentsTest();
   void readTremoloCoordinatesTest();
@@ -38 +34 @@
   void readAndWriteTremoloTorsionInformationTest();
   void writeTremoloTest();
-  void readwritePcpTest();
-  void writeMpqcTest();
 };
 
-#endif /* PARSERUNITTEST_HPP_ */
+#endif /* PARSERTREMOLOUNITTEST_HPP_ */