Changeset d4a44c
- Timestamp:
- Mar 1, 2011, 10:16:39 AM (14 years ago)
- 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:
- 458c31
- Parents:
- 715b67
- git-author:
- Frederik Heber <heber@…> (02/21/11 14:04:46)
- git-committer:
- Frederik Heber <heber@…> (03/01/11 10:16:39)
- Files:
-
- 1 deleted
- 1 edited
- 3 moved
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/FragmentationAction/CreateAdjacencyAction.cpp
r715b67 rd4a44c 7 7 8 8 /* 9 * C onstructBondGraphAction.cpp9 * CreateAdjacencyAction.cpp 10 10 * 11 11 * Created on: May 9, 2010 … … 43 43 using namespace std; 44 44 45 #include "Actions/FragmentationAction/C onstructBondGraphAction.hpp"45 #include "Actions/FragmentationAction/CreateAdjacencyAction.hpp" 46 46 47 47 // and construct the stuff 48 #include "C onstructBondGraphAction.def"48 #include "CreateAdjacencyAction.def" 49 49 #include "Action_impl_pre.hpp" 50 50 /** =========== define the function ====================== */ 51 Action::state_ptr FragmentationC onstructBondGraphAction::performCall() {51 Action::state_ptr FragmentationCreateAdjacencyAction::performCall() { 52 52 // obtain information 53 53 getParametersfromValueStorage(); … … 57 57 config *configuration = World::getInstance().getConfig(); 58 58 BondGraph *BG = World::getInstance().getBondGraph(); 59 ASSERT(BG != NULL, "FragmentationC onstructBondGraphAction: BondGraph is NULL.");59 ASSERT(BG != NULL, "FragmentationCreateAdjacencyAction: BondGraph is NULL."); 60 60 double BondDistance = BG->getMaxDistance(); 61 61 bool IsAngstroem = configuration->GetIsAngstroem(); … … 172 172 } 173 173 174 Action::state_ptr FragmentationC onstructBondGraphAction::performUndo(Action::state_ptr _state) {175 // FragmentationC onstructBondGraphState *state = assert_cast<FragmentationConstructBondGraphState*>(_state.get());174 Action::state_ptr FragmentationCreateAdjacencyAction::performUndo(Action::state_ptr _state) { 175 // FragmentationCreateAdjacencyState *state = assert_cast<FragmentationCreateAdjacencyState*>(_state.get()); 176 176 177 177 return Action::success; 178 178 } 179 179 180 Action::state_ptr FragmentationC onstructBondGraphAction::performRedo(Action::state_ptr _state){180 Action::state_ptr FragmentationCreateAdjacencyAction::performRedo(Action::state_ptr _state){ 181 181 return Action::success; 182 182 } 183 183 184 bool FragmentationC onstructBondGraphAction::canUndo() {184 bool FragmentationCreateAdjacencyAction::canUndo() { 185 185 return false; 186 186 } 187 187 188 bool FragmentationC onstructBondGraphAction::shouldUndo() {188 bool FragmentationCreateAdjacencyAction::shouldUndo() { 189 189 return false; 190 190 } -
src/Actions/FragmentationAction/CreateAdjacencyAction.def
r715b67 rd4a44c 1 1 /* 2 * C onstructBondGraphAction.def2 * CreateAdjacencyAction.def 3 3 * 4 4 * Created on: Aug 26, 2010 … … 25 25 #define MENUNAME "fragmentation" 26 26 #define MENUPOSITION 1 27 #define ACTIONNAME C onstructBondGraph28 #define TOKEN "c onstruct-bondgraph"27 #define ACTIONNAME CreateAdjacency 28 #define TOKEN "create-adjacency" 29 29 30 30 -
src/Actions/FragmentationAction/CreateAdjacencyAction.hpp
r715b67 rd4a44c 1 1 /* 2 * C onstructBondGraphAction.hpp2 * CreateAdjacencyAction.hpp 3 3 * 4 4 * Created on: May 9, 2010 … … 6 6 */ 7 7 8 #ifndef C ONSTRUCTBONDGRAPHACTION_HPP_9 #define C ONSTRUCTBONDGRAPHACTION_HPP_8 #ifndef CREATEADJACENCYACTION_HPP_ 9 #define CREATEADJACENCYACTION_HPP_ 10 10 11 11 // include config.h … … 17 17 #include "Actions/Action.hpp" 18 18 19 #include "C onstructBondGraphAction.def"19 #include "CreateAdjacencyAction.def" 20 20 #include "Action_impl_header.hpp" 21 21 22 #endif /* C ONSTRUCTBONDGRAPHACTION_HPP_ */22 #endif /* CREATEADJACENCYACTION_HPP_ */ -
src/Actions/Makefile.am
r715b67 rd4a44c 85 85 86 86 FRAGMENTATIONACTIONSOURCE = \ 87 FragmentationAction/C onstructBondGraphAction.cpp \87 FragmentationAction/CreateAdjacencyAction.cpp \ 88 88 FragmentationAction/DepthFirstSearchAction.cpp \ 89 89 FragmentationAction/FragmentationAction.cpp \ 90 90 FragmentationAction/SubgraphDissectionAction.cpp 91 91 FRAGMENTATIONACTIONHEADER = \ 92 FragmentationAction/C onstructBondGraphAction.hpp \92 FragmentationAction/CreateAdjacencyAction.hpp \ 93 93 FragmentationAction/DepthFirstSearchAction.hpp \ 94 94 FragmentationAction/FragmentationAction.hpp \
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