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35 /*! \internal \file
36  * \brief
37  * Implements routines to calculate an exponential moving average.
38  *
39  * \author Christian Blau <blau@kth.se>
40  * \ingroup module_math
41  */
42 #include "gmxpre.h"
43 
44 #include "exponentialmovingaverage.h"
45 
46 #include "gromacs/utility/exceptions.h"
47 #include "gromacs/utility/keyvaluetree.h"
48 
49 namespace gmx
50 {
51 
52 //! Convert the exponential moving average state as key-value-tree object
exponentialMovingAverageStateAsKeyValueTree(KeyValueTreeObjectBuilder builder,const ExponentialMovingAverageState & state)53 void exponentialMovingAverageStateAsKeyValueTree(KeyValueTreeObjectBuilder            builder,
54                                                  const ExponentialMovingAverageState& state)
55 {
56     builder.addValue<real>("weighted-sum", state.weightedSum_);
57     builder.addValue<real>("weighted-count", state.weightedCount_);
58     builder.addValue<bool>("increasing", state.increasing_);
59 }
60 
61 //! Sets the exponential moving average state from a key-value-tree object
exponentialMovingAverageStateFromKeyValueTree(const KeyValueTreeObject & object)62 ExponentialMovingAverageState exponentialMovingAverageStateFromKeyValueTree(const KeyValueTreeObject& object)
63 {
64     const real weightedSum   = object["weighted-sum"].cast<real>();
65     const real weightedCount = object["weighted-count"].cast<real>();
66     const bool increasing    = object["increasing"].cast<bool>();
67     return { weightedSum, weightedCount, increasing };
68 }
69 
ExponentialMovingAverage(real timeConstant,const ExponentialMovingAverageState & state)70 ExponentialMovingAverage::ExponentialMovingAverage(real timeConstant,
71                                                    const ExponentialMovingAverageState& state) :
72     state_(state)
73 {
74     if (timeConstant < 1)
75     {
76         GMX_THROW(InconsistentInputError(
77                 "Lag time may not be negative or zero for exponential moving averages."));
78     }
79     inverseTimeConstant_ = 1. / timeConstant;
80 }
81 
updateWithDataPoint(real dataPoint)82 void ExponentialMovingAverage::updateWithDataPoint(real dataPoint)
83 {
84     state_.weightedSum_   = dataPoint + (1 - inverseTimeConstant_) * state_.weightedSum_;
85     state_.weightedCount_ = 1 + (1 - inverseTimeConstant_) * state_.weightedCount_;
86 
87     state_.increasing_ = dataPoint * state_.weightedCount_ > state_.weightedSum_;
88 }
89 
state() const90 const ExponentialMovingAverageState& ExponentialMovingAverage::state() const
91 {
92     return state_;
93 }
94 
biasCorrectedAverage() const95 real ExponentialMovingAverage::biasCorrectedAverage() const
96 {
97     return state_.weightedSum_ / state_.weightedCount_;
98 }
99 
increasing() const100 bool ExponentialMovingAverage::increasing() const
101 {
102     return state_.increasing_;
103 }
104 
inverseTimeConstant() const105 real ExponentialMovingAverage::inverseTimeConstant() const
106 {
107     return inverseTimeConstant_;
108 }
109 
110 } // namespace gmx
111