LikelihoodCalculationSingleProcess.h

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// SPDX-FileCopyrightText: The Bio++ Development Group
//
// SPDX-License-Identifier: CECILL-2.1
 
#ifndef BPP_PHYL_LIKELIHOOD_DATAFLOW_LIKELIHOODCALCULATIONSINGLEPROCESS_H
#define BPP_PHYL_LIKELIHOOD_DATAFLOW_LIKELIHOODCALCULATIONSINGLEPROCESS_H
 
#include <Bpp/Graph/AssociationDAGraphImplObserver.h>
#include <Bpp/Seq/Container/AlignmentData.h>
 
#include "Bpp/Phyl/Likelihood/DataFlow/DataFlow.h"
#include "Bpp/Phyl/Likelihood/DataFlow/DataFlowCWiseComputing.h"
#include "Bpp/Phyl/SitePatterns.h"
#include "Bpp/Phyl/Likelihood/DataFlow/CollectionNodes.h"
#include "Bpp/Phyl/Likelihood/DataFlow/DiscreteDistribution.h"
#include "Bpp/Phyl/Likelihood/DataFlow/FrequencySet.h"
#include "Bpp/Phyl/Likelihood/DataFlow/LikelihoodCalculation.h"
#include "Bpp/Phyl/Likelihood/DataFlow/Model.h"
#include "Bpp/Phyl/Likelihood/SubstitutionProcess.h"
 
namespace bpp
{
class ProcessTree;
class ForwardLikelihoodTree;
class BackwardLikelihoodTree;
 
// using RowLik = Eigen::Matrix<double, 1, Eigen::Dynamic>;
// using MatrixLik = Eigen::Matrix<double, Eigen::Dynamic, Eigen::Dynamic>;
 
using LikelihoodFromRootConditional =
    MatrixProduct<RowLik, RowLik, MatrixLik>;
 
using LikelihoodFromRootConditionalAtRoot =
    MatrixProduct<RowLik, Eigen::RowVectorXd, MatrixLik>;
 
using TotalLogLikelihood = SumOfLogarithms<RowLik>;
 
using BuildConditionalLikelihood =
    CWiseMul<MatrixLik, std::tuple<MatrixLik, MatrixLik>>;
 
using ConditionalLikelihood = Value<MatrixLik>;
using ConditionalLikelihoodRef = ValueRef<MatrixLik>;
 
using SiteLikelihoods = Value<RowLik>;
using SiteLikelihoodsRef = ValueRef<RowLik>;
 
using AllRatesSiteLikelihoods = MatrixLik;
 
using SiteWeights = NumericConstant<Eigen::RowVectorXi>;
 
/*
 * @brief DAG of the conditional likelihoods (product of above and
 * below likelihoods), with same topology as forward & backward
 * likelihood DAGs.
 *
 */
 
using ConditionalLikelihoodDAG = AssociationDAGlobalGraphObserver<ConditionalLikelihood, uint>;
 
using ConditionalLikelihoodTree = AssociationTreeGlobalGraphObserver<ConditionalLikelihood, uint>;
 
using SiteLikelihoodsDAG = AssociationDAGlobalGraphObserver<SiteLikelihoods, uint>;
 
using SiteLikelihoodsTree = AssociationTreeGlobalGraphObserver<SiteLikelihoods, uint>;
 
using DAGindexes = std::vector<uint>;
 
class LikelihoodCalculationSingleProcess :
  public AlignedLikelihoodCalculation
{
private:
  class RateCategoryTrees
  {
public:
    std::shared_ptr<ProcessTree> phyloTree;
    std::shared_ptr<ForwardLikelihoodTree> flt;
 
    std::shared_ptr<BackwardLikelihoodTree> blt;
 
    std::shared_ptr<ConditionalLikelihoodDAG> clt;
 
    std::shared_ptr<SiteLikelihoodsDAG> lt;
 
    std::shared_ptr<SiteLikelihoodsTree> speciesLt;
 
    ~RateCategoryTrees();
  };
 
  class ProcessNodes
  {
public:
    std::shared_ptr<ProcessTree> treeNode_;
    std::shared_ptr<ConfiguredModel> modelNode_; // Used for
    // StateMap and root frequencies if stationarity
 
    std::shared_ptr<ConfiguredFrequencySet> rootFreqsNode_;
    std::shared_ptr<ConfiguredDistribution> ratesNode_;
  };
 
  /************************************/
  /* Dependencies */
 
  std::shared_ptr<const SubstitutionProcessInterface> process_;
  std::shared_ptr<const AlignmentDataInterface> psites_;
 
  /*****************************
   ****** Patterns
   *
   * @brief Links between sites and patterns.
   *
   * The size of this vector is equal to the number of sites in the container,
   * each element corresponds to a site in the container and points to the
   * corresponding column in the likelihood array of the root node.
   * If the container contains no repeated site, there will be a strict
   * equivalence between each site and the likelihood array of the root node.
   * However, if this is not the case, some pointers may point toward the same
   * element in the likelihood array.
   */
 
  ValueRef<PatternType> rootPatternLinks_;
 
  std::shared_ptr<SiteWeights> rootWeights_;
  std::shared_ptr<AlignmentDataInterface> shrunkData_;
 
  /************************************/
  /* DataFlow objects */
 
  ProcessNodes processNodes_;
 
  ValueRef<Eigen::RowVectorXd> rFreqs_;
 
  /* Likelihood Trees with for all rate categories */
  std::vector<RateCategoryTrees> vRateCatTrees_;
 
  /*
   * Node for the probabilities of the rate classes
   *
   */
 
  ValueRef<Eigen::RowVectorXd> catProb_;
 
  /* Likelihood tree on mean likelihoods on rate categories */
  std::shared_ptr<ConditionalLikelihoodTree> condLikelihoodTree_;
  /**************************************/
 
public:
  LikelihoodCalculationSingleProcess(Context& context,
      std::shared_ptr<const AlignmentDataInterface> sites,
      std::shared_ptr<const SubstitutionProcessInterface> process);
 
  LikelihoodCalculationSingleProcess(Context& context,
      std::shared_ptr<const SubstitutionProcessInterface> process);
 
  /*
   * @brief Build using Nodes of CollectionNodes.
   *
   * @param collection The CollectionNodes
   * @param nProcess the process Number in the collection
   * @param nData the data Number in the collection
   */
  LikelihoodCalculationSingleProcess(std::shared_ptr<CollectionNodes> collection,
      std::shared_ptr<const AlignmentDataInterface> sites,
      size_t nProcess);
 
 
  LikelihoodCalculationSingleProcess(std::shared_ptr<CollectionNodes> collection,
      size_t nProcess);
 
 
  /*
   * @brief Copy the likelihood calculation IN THE SAME CONTEXT.
   *
   */
 
  LikelihoodCalculationSingleProcess(const LikelihoodCalculationSingleProcess& lik);
 
  LikelihoodCalculationSingleProcess* clone() const
  {
    throw bpp::Exception("LikelihoodCalculationSingleProcess clone should not happen.");
  }
 
  void setData(std::shared_ptr<const AlignmentDataInterface> sites)
  {
    if (psites_)
      cleanAllLikelihoods();
 
    psites_ = sites;
    setPatterns_();
    if (isInitialized())
    {
      vRateCatTrees_.clear();
      makeLikelihoodsAtRoot_();
    }
  }
 
  void setNumericalDerivateConfiguration(double delta, const NumericalDerivativeType& config);
 
  void setClockLike(double rate = 1);
 
  /**************************************************/
 
  /*
   * @brief Return the loglikehood (see as a function, ie
   * computation node).
   *
   */
  void makeLikelihoods()
  {
    if (!psites_)
      throw Exception("LikelihoodCalculationSingleProcess::makeLikelihoods : data not set.");
 
    makeLikelihoodsAtRoot_();
  }
 
 
  const DAGindexes& getNodesIds(uint speciesId) const;
 
  const DAGindexes& getEdgesIds(uint speciesId, size_t nCat) const;
 
  size_t getNumberOfSites() const
  {
    return psites_ ? psites_->getNumberOfSites() : 0;
  }
 
  size_t getNumberOfDistinctSites() const
  {
    return shrunkData_ ? shrunkData_->getNumberOfSites() : getNumberOfSites();
  }
 
  const SubstitutionProcessInterface& substitutionProcess() const
  {
    return *process_;
  }
 
  std::shared_ptr<const SubstitutionProcessInterface> getSubstitutionProcess() const
  {
    return process_;
  }
 
  const AlignmentDataInterface& data() const
  {
    return *psites_;
  }
 
  std::shared_ptr<const AlignmentDataInterface> getData() const
  {
    return psites_;
  }
 
  const StateMapInterface& stateMap() const
  {
    return processNodes_.modelNode_->targetValue()->stateMap();
  }
 
  std::shared_ptr<const StateMapInterface> getStateMap() const
  {
    return processNodes_.modelNode_->targetValue()->getStateMap();
  }
 
  /************************************************
   *** Patterns
   ****************************/
 
  /*
   * @brief the relations between real position and shrunked data
   * positions.
   *
   * @param currentPosition : position in real data
   *
   * @return matching position in shrunked data
   *
   */
  size_t getRootArrayPosition(size_t currentPosition) const
  {
    return rootPatternLinks_ ? rootPatternLinks_->targetValue()(Eigen::Index(currentPosition)) : currentPosition;
  }
 
  const PatternType& getRootArrayPositions() const { return rootPatternLinks_->targetValue(); }
 
  ValueRef<PatternType> getRootPatternLinks() const
  {
    return rootPatternLinks_;
  }
 
  const AlignmentDataInterface& shrunkData() const
  {
    return *shrunkData_;
  }
 
  std::shared_ptr<const AlignmentDataInterface> getShrunkData() const
  {
    return shrunkData_;
  }
 
  /*
   * @brief Expands (ie reverse of shrunkage) a vector computed of
   * shrunked data (ie from one value per distinct site to one
   * value per site).
   *
   */
  ValueRef<RowLik> expandVector(ValueRef<RowLik> vector)
  {
    if (!rootPatternLinks_)
      return vector;
    else
      return CWisePattern<RowLik>::create(getContext_(), {vector, rootPatternLinks_}, RowVectorDimension ((int)getData()->getNumberOfSites()));
  }
 
  /*
   * @brief Expands (ie reverse of shrunkage) a matrix computed of
   * shrunked data (ie from one value per distinct site to one
   * value per site). Columns are sites.
   *
   */
  ValueRef<MatrixLik> expandMatrix(ValueRef<MatrixLik> matrix)
  {
    if (!rootPatternLinks_)
      return matrix;
    else
      return CWisePattern<MatrixLik>::create(getContext_(), {matrix, rootPatternLinks_}, MatrixDimension (matrix->targetValue().rows(), Eigen::Index (getData()->getNumberOfSites())));
  }
 
  /*
   * @brief: Get the weight of a position in the shrunked data (ie
   * the number of sites corresponding to this site)
   *
   */
  unsigned int getWeight(size_t pos) const
  {
    return (uint)(rootWeights_->targetValue()(Eigen::Index(pos)));
  }
 
  std::shared_ptr<SiteWeights> getRootWeights()
  {
    return rootWeights_;
  }
 
  ValueRef<Eigen::RowVectorXd> getRootFreqs()
  {
    return rFreqs_;
  }
 
  /********************************************************
   * @Likelihoods
   *
   *****************************************************/
 
  /*
   * @brief Get Matrix of Conditional Likelihoods at Node *
   *
   * @param nodeId  Id of the node in PhyloTree, ie species id
   * @param shrunk if matrix is on shrunked data (default: false)
   *
   */
  ConditionalLikelihoodRef getLikelihoodsAtNode(uint nodeId, bool shrunk = false)
  {
    if (!(condLikelihoodTree_ && condLikelihoodTree_->hasNode(nodeId)))
      makeLikelihoodsAtNode_(nodeId);
 
    auto vv = condLikelihoodTree_->getNode(nodeId);
 
    return shrunk ? vv : expandMatrix(vv);
  }
 
  /*
   * @brief Get the number of rate classes
   *
   */
  size_t getNumberOfClasses() const
  {
    return vRateCatTrees_.size();
  }
 
  /*
   * @brief Get forward shrunked likelihood matrix at Node (ie just
   * above the node), for a given rate class.
   *
   * @param nodeId Node Index in the forward tree (! ie in the
   * computation tree, not the species tree).
   *
   * @param nCat  Rate class category
   *
   */
 
  ConditionalLikelihoodRef getForwardLikelihoodsAtNodeForClass(uint nodeId, size_t nCat);
 
  /*
   * @brief Get backward shrunked likelihood matrix at Node (ie at the
   * top of the node), for a given rate class.
   *
   * @param nodeId Node Index in the backward tree (! ie in the
   * computation tree, not the species tree).
   *
   * @param nCat  Rate class category
   *
   */
 
  ConditionalLikelihoodRef getBackwardLikelihoodsAtNodeForClass(uint nodeId, size_t nCat);
 
  /*
   * @brief Get backward shrunked likelihood matrix at Edge (ie at
   * the top of the edge), for a given rate class.
   *
   * These likelihoods are multiplied by the probability of the edge
   *
   * @param edgeId Edge Index in the backward tree (! ie in the
   * computation tree, not the species tree).
   *
   * @param nCat  Rate class category
   *
   */
 
  ConditionalLikelihoodRef getBackwardLikelihoodsAtEdgeForClass(uint edgeId, size_t nCat);
 
  /*
   * @brief Get shrunked conditional likelihood matrix at Node (ie
   * just above the node), for a given rate class.
   *
   * These likelihoods are multiplied by the probability of the node.
   *
   * @param nodeId Node Index in the forward tree (! ie in the
   * computation tree, not the species tree).
   *
   * @param nCat  Rate class category
   *
   */
 
  ConditionalLikelihoodRef getConditionalLikelihoodsAtNodeForClass(uint nodeId, size_t nCat);
 
  SiteLikelihoodsRef getLikelihoodsAtNodeForClass(uint nodeId, size_t nCat);
 
  void makeLikelihoodsTree()
  {
    auto allIndex = process_->parametrizablePhyloTree().getAllNodesIndexes();
 
    for (auto id: allIndex)
    {
      makeLikelihoodsAtNode_(id);
    }
  }
 
  /*********************************/
  /* @brief Methods for external usage (after lik computation) */
 
  RowLik getSiteLikelihoodsForAClass(size_t nCat, bool shrunk = false);
 
  AllRatesSiteLikelihoods getSiteLikelihoodsForAllClasses(bool shrunk = false);
 
 
  std::shared_ptr<ProcessTree> getTreeNode(size_t nCat)
  {
    if (nCat >= vRateCatTrees_.size())
      throw Exception("LikelihoodCalculationSingleProcess::getTreeNode : bad class number " + TextTools::toString(nCat));
 
    return vRateCatTrees_[nCat].phyloTree;
  }
 
  std::shared_ptr<ForwardLikelihoodTree> getForwardLikelihoodTree(size_t nCat);
 
  std::shared_ptr<BackwardLikelihoodTree> getBackwardLikelihoodTree(size_t nCat);
 
private:
  void setPatterns_();
 
  void makeForwardLikelihoodTree_();
 
  void makeProcessNodes_();
 
  void makeRootFreqs_();
 
  void makeLikelihoodsAtRoot_();
 
  void makeProcessNodes_(CollectionNodes& pl, size_t nProc);
 
  void makeLikelihoodsAtNode_(uint nodeId);
 
  void makeLikelihoodsAtDAGNode_(uint nodeId);
 
  std::shared_ptr<SiteLikelihoodsTree> getSiteLikelihoodsTree_(size_t nCat);
 
public:
  void cleanAllLikelihoods();
 
  friend class LikelihoodCalculationOnABranch;
};
} // namespace bpp
#endif // BPP_PHYL_LIKELIHOOD_DATAFLOW_LIKELIHOODCALCULATIONSINGLEPROCESS_H