Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 336da8 was 3102010, checked in by Frederik Heber <heber@…>, 12 years ago |
Getter (Orthogonal)Summation::getSetVales() added.
- this is actually access some specific contributions such as the one from the
super set.
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-
Property mode
set to
100644
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File size:
1.7 KB
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1 | /*
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2 | * Summation.hpp
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3 | *
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4 | * Created on: Jun 30, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef SUMMATION_HPP_
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9 | #define SUMMATION_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 | #include <map>
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18 |
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19 | #include "SetValue.hpp"
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20 | #include "SubsetMap.hpp"
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21 | #include "SetValueMap.hpp"
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22 |
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23 | /** Summation is a functor executing a simple summation of SetValue's
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24 | * that are each associated to a certain IndexSet whose union is a SetOfIndexSets.
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25 | *
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26 | * This is kept in signature alike to OrthogonalSummation.
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27 | *
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28 | * For the given class we require the following functions:
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29 | * -# operator=(): assignment operator for placement in vector
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30 | * -# operator+=(): addition operator for adding one instance from another
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31 | * -# operator-=(): subtraction operator for subtracting one instance from another
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32 | * -# operator<<(): output operator
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33 | */
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34 | template <class T>
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35 | class Summation
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36 | {
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37 | public:
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38 | typedef std::vector< IndexSet::ptr > InputSets_t;
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39 | typedef std::vector< T > InputValues_t;
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40 | Summation(InputSets_t &indices, InputValues_t& values, SubsetMap::ptr _subsetmap = SubsetMap::ptr());
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41 |
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42 | /** Performs the summation and returns result.
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43 | *
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44 | * @param level sum up to this level
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45 | * @return resulting value
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46 | */
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47 | T operator()(const size_t level) const;
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48 |
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49 | /** Returns const reference to internal setvalues.
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50 | *
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51 | * @return const reference to internal setvalues.
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52 | */
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53 | const SetValueMap<T> & getSetValues() const {
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54 | return setvalues;
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55 | }
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56 |
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57 | private:
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58 | T Sum(const size_t level) const;
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59 |
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60 | private:
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61 | //!> SubsetTree with the tree-like structure of subsets
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62 | SubsetMap::ptr subsetmap;
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63 | //!> set of all subset values
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64 | SetValueMap<T> setvalues;
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65 | };
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66 |
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67 | #include "Summation_impl.hpp"
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68 |
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69 | #endif /* SUMMATION_HPP_ */
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