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
Line | |
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1 | /*
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2 | * DiscreteValidator_impl.hpp
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3 | *
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4 | * Created on: Apr 16, 2012
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5 | * Author: ankele
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6 | */
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7 |
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8 | #ifndef DISCRETEVALIDATOR_IMPL_HPP_
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9 | #define DISCRETEVALIDATOR_IMPL_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 | template <class T>
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18 | bool DiscreteValidator<T>::isValid(const T & _value) const
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19 | {
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20 | typename std::vector<T>::const_iterator iter = std::find(ValidValues.begin(), ValidValues.end(), _value);
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21 | if (iter != ValidValues.end()) {
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22 | //std::cout << "Found " << _value << ":" << *iter << std::endl;
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23 | return true;
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24 | } else {
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25 | //std::cout << "Did not find " << _value << "." << std::endl;
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26 | return false;
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27 | }
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28 | }
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29 |
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30 | template <class T>
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31 | Validator<T>* DiscreteValidator<T>::clone() const
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32 | {
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33 | return new DiscreteValidator<T>(ValidValues);
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34 | };
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35 |
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36 |
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37 | template <class T>
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38 | bool DiscreteValidator<T>::operator==(const Validator<T> &_instance) const
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39 | {
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40 | const DiscreteValidator<T> *inst = dynamic_cast<const DiscreteValidator<T> *>(&_instance);
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41 | if (inst)
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42 | return ValidValues == inst->ValidValues;
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43 | return false;
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44 | };
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45 |
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46 | template <class T>
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47 | void DiscreteValidator<T>::appendValidValue(const T &_value)
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48 | {
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49 | ASSERT(!isValid(_value),
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50 | "DiscreteValidator<>::appendValidValue() - value "+toString(_value)+" is already among the valid");
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51 | ValidValues.push_back(_value);
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52 | }
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53 |
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54 | /** Internal function for finding the index of a desired value.
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55 | *
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56 | * \note As this is internal, we do not ASSERT value's presence, but return -1
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57 | * such that other functions may ASSERT on that.
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58 | *
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59 | * \param _value value to get the index of
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60 | * \return index such that ValidValues[index] == _value
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61 | */
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62 | template <class T>
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63 | const size_t DiscreteValidator<T>::findIndexOfValue(const T &_value) const
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64 | {
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65 | size_t index = 0;
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66 | const size_t max = ValidValues.size();
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67 | for (; index < max; ++index) {
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68 | if (ValidValues[index] == _value)
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69 | break;
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70 | }
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71 | if (index == max)
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72 | return (size_t)-1;
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73 | else
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74 | return index;
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75 | }
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76 |
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77 |
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78 | #endif /* DISCRETEVALIDATOR_IMPL_HPP_ */
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