Changeset 6f0841 for src/Fragmentation

Timestamp:

Dec 28, 2011, 3:30:06 PM (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:

df9cbd

Parents:

91f592

git-author:

Frederik Heber <heber@…> (11/15/11 14:58:11)

git-committer:

Frederik Heber <heber@…> (12/28/11 15:30:06)

Message:

Shifted all modules related to atoms into own subfolder src/Atom/

• also created own convenience library for this. This makes unit testing on list containing TesselPoint or atom a lot easier.
• shifted TesselPoint to src/Atom from src/Tesselation and adapted include's.

Location:

src/Fragmentation

Files:

• AdaptivityMap.cpp (modified) (1 diff)
• BondsPerShortestPath.cpp (modified) (1 diff)
• Fragmentation.cpp (modified) (1 diff)
• PowerSetGenerator.cpp (modified) (1 diff)
• UniqueFragments.cpp (modified) (1 diff)
• fragmentation_helpers.cpp (modified) (1 diff)

src/Fragmentation/AdaptivityMap.cpp

@@ -26 +26 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Helpers/defs.hpp"
 #include "Helpers/helpers.hpp"

src/Fragmentation/BondsPerShortestPath.cpp

@@ -26 +26 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Bond/bond.hpp"
 #include "Element/element.hpp"

src/Fragmentation/Fragmentation.cpp

@@ -25 +25 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Bond/bond.hpp"
 #include "Element/element.hpp"

src/Fragmentation/PowerSetGenerator.cpp

@@ -27 +27 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Bond/bond.hpp"
 #include "Fragmentation/KeySet.hpp"

src/Fragmentation/UniqueFragments.cpp

@@ -24 +24 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Bond/bond.hpp"
 #include "Element/element.hpp"

src/Fragmentation/fragmentation_helpers.cpp

@@ -26 +26 @@
 #include "CodePatterns/Log.hpp"
 
-#include "atom.hpp"
+#include "Atom/atom.hpp"
 #include "Bond/bond.hpp"
 #include "Element/element.hpp"