Changeset 9b5a2c for src

Timestamp:

Oct 17, 2011, 4:18:42 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, 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:

dd9d69

Parents:

629e43

git-author:

Frederik Heber <heber@…> (09/19/11 15:44:11)

git-committer:

Frederik Heber <heber@…> (10/17/11 16:18:42)

Message:

Moved analysis modules into subfolder Analysis along with its unit tests.

• new Makefiles are included in src/Makefile.am and src/unittests/Makefile.am.

Location:

src

Files:

• Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) (1 diff)
• Actions/AnalysisAction/PairCorrelationAction.cpp (modified) (1 diff)
• Actions/AnalysisAction/PointCorrelationAction.cpp (modified) (1 diff)
• Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) (1 diff)
• Analysis/Makefile.am (added)
• Analysis/analysis_bonds.cpp (moved) (moved from src/analysis_bonds.cpp )
• Analysis/analysis_bonds.hpp (moved) (moved from src/analysis_bonds.hpp )
• Analysis/analysis_correlation.cpp (moved) (moved from src/analysis_correlation.cpp )
• Analysis/analysis_correlation.hpp (moved) (moved from src/analysis_correlation.hpp )
• Analysis/unittests/AnalysisBondsUnitTest.cpp (moved) (moved from src/unittests/AnalysisBondsUnitTest.cpp ) (1 diff)
• Analysis/unittests/AnalysisBondsUnitTest.hpp (moved) (moved from src/unittests/AnalysisBondsUnitTest.hpp )
• Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (moved) (moved from src/unittests/AnalysisCorrelationToPointUnitTest.cpp ) (1 diff)
• Analysis/unittests/AnalysisCorrelationToPointUnitTest.hpp (moved) (moved from src/unittests/AnalysisCorrelationToPointUnitTest.hpp )
• Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (moved) (moved from src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp ) (1 diff)
• Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (moved) (moved from src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp )
• Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (moved) (moved from src/unittests/AnalysisPairCorrelationUnitTest.cpp ) (1 diff)
• Analysis/unittests/AnalysisPairCorrelationUnitTest.hpp (moved) (moved from src/unittests/AnalysisPairCorrelationUnitTest.hpp )
• Analysis/unittests/CountBondsUnitTest.cpp (moved) (moved from src/unittests/CountBondsUnitTest.cpp ) (1 diff)
• Analysis/unittests/CountBondsUnitTest.hpp (moved) (moved from src/unittests/CountBondsUnitTest.hpp )
• Analysis/unittests/Makefile.am (added)
• Makefile.am (modified) (4 diffs)
• UIElements/Makefile.am (modified) (1 diff)
• unittests/Makefile.am (modified) (7 diffs)

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "Tesselation/boundary.hpp"
 #include "linkedcell.hpp"

src/Actions/AnalysisAction/PairCorrelationAction.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "Tesselation/boundary.hpp"
 #include "linkedcell.hpp"

src/Actions/AnalysisAction/PointCorrelationAction.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "Tesselation/boundary.hpp"
 #include "linkedcell.hpp"

src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "Tesselation/boundary.hpp"
 #include "linkedcell.hpp"

src/Analysis/unittests/AnalysisBondsUnitTest.cpp

@@ -28 +28 @@
 #include <cstring>
 
-#include "analysis_bonds.hpp"
+#include "Analysis/analysis_bonds.hpp"
 #include "atom.hpp"
 #include "Bond/bond.hpp"

src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp

@@ -26 +26 @@
 #include <cstring>
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

@@ -26 +26 @@
 #include <cstring>
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "atom.hpp"
 #include "Tesselation/boundary.hpp"

src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp

@@ -26 +26 @@
 #include <cstring>
 
-#include "analysis_correlation.hpp"
+#include "Analysis/analysis_correlation.hpp"
 #include "Descriptors/MoleculeDescriptor.hpp"
 

src/Analysis/unittests/CountBondsUnitTest.cpp

@@ -30 +30 @@
 #include "CodePatterns/Assert.hpp"
 
-#include "analysis_bonds.hpp"
+#include "Analysis/analysis_bonds.hpp"
 #include "atom.hpp"
 #include "Bond/bond.hpp"

src/Makefile.am

@@ -8 +8 @@
 
 include Actions/Makefile.am
+include Analysis/Makefile.am
 include Graph/Makefile.am
 include Parser/Makefile.am
@@ -16 +17 @@
 AM_LDFLAGS = -ldl ${BOOST_LDFLAGS}
 AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
-
-ANALYSISSOURCE = \
-  analysis_bonds.cpp \
-  analysis_correlation.cpp
-ANALYSISHEADER = \
-  analysis_bonds.hpp \
-  analysis_correlation.hpp
 
 ATOMSOURCE = \
@@ -177 +171 @@
 
 MOLECUILDERSOURCE = \
-  ${ANALYSISSOURCE} \
   ${ATOMSOURCE} \
   ${BONDSOURCE} \
@@ -207 +200 @@
 
 MOLECUILDERHEADER = \
-  ${ANALYSISHEADER} \
   ${ATOMHEADER} \
   ${BONDHEADER} \

src/UIElements/Makefile.am

@@ -264 +264 @@
         libMolecuilderActionPrototypes.la \
         libMolecuilderActions.la \
+        libMolecuilderAnalysis.la \
         libMolecuilderGraph.la \
         libMolecuilder.la \

src/unittests/Makefile.am

@@ -7 +7 @@
 
 include ../../src/Actions/unittests/Makefile.am
+include ../../src/Analysis/unittests/Makefile.am
 include ../../src/Descriptors/unittests/Makefile.am
 include ../../src/Fragmentation/unittests/Makefile.am
@@ -23 +24 @@
 
 GENERALTESTS = \
-  AnalysisBondsUnitTest \
-  AnalysisCorrelationToPointUnitTest \
-  AnalysisCorrelationToSurfaceUnitTest \
-  AnalysisPairCorrelationUnitTest \
   BoxUnitTest \
-  CountBondsUnitTest \
   ElementUnitTest \
   FormulaUnittest \
@@ -57 +53 @@
 TESTSOURCES = \
         ${ACTIONTESTSSOURCES} \
+        ${ANALYSISTESTSSOURCES} \
         ${DESCRIPTORTESTSSOURCES} \
         ${FRAGMENTATIONTESTSSOURCES} \
@@ -67 +64 @@
         $(UIELEMENTSCOMMANDLINEPARSERTESTSSOURCES) \
         ${UIELEMENTSMENUTESTSSOURCES} \
-  AnalysisBondsUnitTest.cpp \
-  AnalysisCorrelationToPointUnitTest.cpp \
-  AnalysisCorrelationToSurfaceUnitTest.cpp  \
-  AnalysisPairCorrelationUnitTest.cpp \
   BoxUnitTest.cpp \
-  CountBondsUnitTest.cpp \
   ElementUnitTest.cpp \
   FormulaUnitTest.cpp \
@@ -82 +74 @@
 TESTHEADERS = \
         ${ACTIONTESTSHEADERS} \
+        ${ANALYSISTESTSHEADERS} \
         ${DESCRIPTORTESTSHEADERS} \
         ${FRAGMENTATIONTESTSHEADERS} \
@@ -92 +85 @@
         $(UIELEMENTSCOMMANDLINEPARSERTESTSHEADERS) \
         ${UIELEMENTSMENUTESTSHEADERS} \
-  AnalysisBondsUnitTest.hpp \
-  AnalysisCorrelationToPointUnitTest.hpp \
-  AnalysisCorrelationToSurfaceUnitTest.hpp  \
-  AnalysisPairCorrelationUnitTest.hpp \
   BoxUnitTest.hpp \
-  CountBondsUnitTest.hpp \
   ElementUnitTest.hpp \
   FormulaUnitTest.hpp \
@@ -106 +94 @@
   
 
-AnalysisBondsUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        AnalysisBondsUnitTest.cpp \
-        AnalysisBondsUnitTest.hpp
-AnalysisBondsUnitTest_LDADD = ${ALLLIBS}
-
-AnalysisCorrelationToPointUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        AnalysisCorrelationToPointUnitTest.cpp \
-        AnalysisCorrelationToPointUnitTest.hpp
-AnalysisCorrelationToPointUnitTest_LDADD = ${ALLLIBS}
-
-AnalysisCorrelationToSurfaceUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        AnalysisCorrelationToSurfaceUnitTest.cpp \
-        AnalysisCorrelationToSurfaceUnitTest.hpp
-AnalysisCorrelationToSurfaceUnitTest_LDADD = ${ALLLIBS}
-
-AnalysisPairCorrelationUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        AnalysisPairCorrelationUnitTest.cpp \
-        AnalysisPairCorrelationUnitTest.hpp
-AnalysisPairCorrelationUnitTest_LDADD = ${ALLLIBS}
-
 BoxUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
         BoxUnitTest.cpp \
         BoxUnitTest.hpp
 BoxUnitTest_LDADD = ${ALLLIBS}
-
-CountBondsUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        CountBondsUnitTest.cpp \
-        CountBondsUnitTest.hpp
-CountBondsUnitTest_LDADD = ${ALLLIBS}
 
 ElementUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \