Changeset ba94c5 for src

Timestamp:

Oct 25, 2011, 12:08:03 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:

d3abb1

Parents:

dadc74

git-author:

Frederik Heber <heber@…> (10/20/11 09:14:56)

git-committer:

Frederik Heber <heber@…> (10/25/11 12:08:03)

Message:

Removed modules graph.[ch]pp.

• typedef of KeyStack is placed in fragmentation_helpers.

Location:

src

Files:

• Fragmentation/Fragmentation.cpp (modified) (1 diff)
• Fragmentation/Fragmentation.hpp (modified) (1 diff)
• Fragmentation/UniqueFragments.cpp (modified) (1 diff)
• Fragmentation/fragmentation_helpers.cpp (modified) (1 diff)
• Fragmentation/fragmentation_helpers.hpp (modified) (2 diffs)
• Makefile.am (modified) (2 diffs)
• graph.cpp (deleted)
• graph.hpp (deleted)
• molecule.cpp (modified) (1 diff)
• molecule.hpp (modified) (1 diff)

src/Fragmentation/Fragmentation.cpp

@@ -33 +33 @@
 #include "Fragmentation/PowerSetGenerator.hpp"
 #include "Fragmentation/UniqueFragments.hpp"
-#include "graph.hpp"
 #include "Graph/BondGraph.hpp"
 #include "Graph/CheckAgainstAdjacencyFile.hpp"

src/Fragmentation/Fragmentation.hpp

@@ -18 +18 @@
 #include "Graph/DepthFirstSearchAnalysis.hpp"
 
-#include "graph.hpp"
+#include "Fragmentation/fragmentation_helpers.hpp"
 
 class atom;

src/Fragmentation/UniqueFragments.cpp

@@ -27 +27 @@
 #include "Bond/bond.hpp"
 #include "Element/element.hpp"
+#include "Fragmentation/fragmentation_helpers.hpp"
 #include "Fragmentation/Graph.hpp"
 #include "Fragmentation/KeySet.hpp"
-#include "graph.hpp"
 
 /** Constructor of class UniqueFragments.

src/Fragmentation/fragmentation_helpers.cpp

@@ -31 +31 @@
 #include "Fragmentation/Graph.hpp"
 #include "Fragmentation/KeySet.hpp"
-#include "graph.hpp"
 #include "Helpers/defs.hpp"
 #include "Helpers/helpers.hpp"

src/Fragmentation/fragmentation_helpers.hpp

@@ -14 +14 @@
 #endif
 
+#include <deque>
 #include <list>
 #include <map>
@@ -19 +20 @@
 #include <vector>
 
-#include "graph.hpp"
+typedef std::deque<int> KeyStack;
 
 class bond;

src/Makefile.am

@@ -171 +171 @@
   ConfigFileBuffer.cpp \
   Formula.cpp \
-  graph.cpp \
   linkedcell.cpp \
   moleculelist.cpp \
@@ -195 +194 @@
   ConfigFileBuffer.hpp \
   Formula.hpp \
-  graph.hpp \
   linkedcell.hpp \
   molecule.hpp \

src/molecule.cpp

@@ -33 +33 @@
 #include "config.hpp"
 #include "Element/element.hpp"
-#include "graph.hpp"
 #include "Graph/BondGraph.hpp"
 #include "LinearAlgebra/Exceptions.hpp"

src/molecule.hpp

@@ -24 +24 @@
 
 #include "types.hpp"
-#include "graph.hpp"
 #include "CodePatterns/Observer.hpp"
 #include "CodePatterns/ObservedIterator.hpp"
 #include "CodePatterns/Cacheable.hpp"
+#include "Fragmentation/fragmentation_helpers.hpp"
 #include "Helpers/defs.hpp"
 #include "Formula.hpp"