2#ifndef INTARNA_PREDICTORMFEENS_H_
3#define INTARNA_PREDICTORMFEENS_H_
62 std::unordered_map<Interaction::Boundary, Z_type, Interaction::Boundary::Hash>
Z_partition;
106 ,
const size_t i2,
const size_t j2
108 ,
const bool isHybridZ );
120 ,
const size_t i2,
const size_t j2
122 ,
const bool isHybridZ );
147 addPartitionContribution(
const size_t i1,
const size_t j1
148 ,
const size_t i2,
const size_t j2
150 ,
const bool isHybridZ
160 updateOptimaUsingZ();
Definition InteractionEnergy.h:20
Definition Interaction.h:28
Definition OutputHandler.h:22
Definition PredictionTracker.h:15
Definition PredictorMfeEns.h:21
PredictorMfeEns(const InteractionEnergy &energy, OutputHandler &output, PredictionTracker *predTracker)
std::unordered_map< Interaction::Boundary, Z_type, Interaction::Boundary::Hash > Z_partition
map storing the partition of Zall for all considered interaction sites
Definition PredictorMfeEns.h:62
virtual void updateZ(const size_t i1, const size_t j1, const size_t i2, const size_t j2, const Z_type partFunct, const bool isHybridZ)
virtual ~PredictorMfeEns() override
void updateCompleteZ(const size_t i1, const size_t j1, const size_t i2, const size_t j2, const Z_type partFunct, const bool isHybridZ)
PredictionTracker * predTracker
access to the prediction tracker of the super class
Definition Predictor.h:91
virtual void traceBack(Interaction &interaction) override
InteractionEnergyIdxOffset energy
access to the interaction energy handler of the super class
Definition Predictor.h:85
OutputHandler & output
access to the output handler of the super class
Definition Predictor.h:88
bool updateZisComplete
whether updateZ() currently receives one complete boundary partition
Definition PredictorMfeEns.h:75
void updateExactCompleteZ(size_t i1, size_t j1, size_t i2, size_t j2, Z_type hybrid, Z_type coefficient)
const std::pair< Z_type, Z_type > * exactContribution
scoped coefficient and hybrid expected by the checked complete update
Definition PredictorMfeEns.h:72
virtual void reportOptima() override
Definition PredictorMfe.h:28
PredictionTracker * predTracker
access to the prediction tracker of the super class
Definition Predictor.h:91
InteractionEnergyIdxOffset energy
access to the interaction energy handler of the super class
Definition Predictor.h:85
OutputHandler & output
access to the output handler of the super class
Definition Predictor.h:88
Definition Accessibility.h:13
double Z_type
type for probabilities, RT and Boltzmann values
Definition general.h:88
data container to encode a site with respective partition function
Definition PredictorMfeEns.h:44
size_t j1
Definition PredictorMfeEns.h:46
Z_type partZ
Definition PredictorMfeEns.h:49
size_t i1
Definition PredictorMfeEns.h:45
size_t i2
Definition PredictorMfeEns.h:47
size_t j2
Definition PredictorMfeEns.h:48