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/***************************************************************************
* Copyright (C) 2009 by BUI Quang Minh *
* minh.bui@univie.ac.at *
* *
* This program is free software; you can redistribute it and/or modify *
* it under the terms of the GNU General Public License as published by *
* the Free Software Foundation; either version 2 of the License, or *
* (at your option) any later version. *
* *
* This program is distributed in the hope that it will be useful, *
* but WITHOUT ANY WARRANTY; without even the implied warranty of *
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
* GNU General Public License for more details. *
* *
* You should have received a copy of the GNU General Public License *
* along with this program; if not, write to the *
* Free Software Foundation, Inc., *
* 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. *
***************************************************************************/
#ifndef RATEHETEROGENEITY_H
#define RATEHETEROGENEITY_H
#include "utils/optimization.h"
#include <string>
#include "utils/tools.h"
#include "utils/checkpoint.h"
using namespace std;
class PhyloTree;
const double MIN_SITE_RATE = 1e-6;
const double MAX_SITE_RATE = 100.0;
const double TOL_SITE_RATE = 1e-6;
/**
class for among-site rate heterogeneity, the default is homogeneous (equal) rate model
@author BUI Quang Minh <minh.bui@univie.ac.at>
*/
class RateHeterogeneity : public Optimization, public CheckpointFactory
{
friend class ModelFactory;
friend class ModelPoMoMixture;
public:
/**
constructor
*/
RateHeterogeneity();
/**
destructor
*/
virtual ~RateHeterogeneity();
/**
start structure for checkpointing
*/
virtual void startCheckpoint();
/**
save object into the checkpoint
*/
virtual void saveCheckpoint();
/**
restore object from the checkpoint
*/
virtual void restoreCheckpoint();
/**
set phylogenetic tree
@param tree associated phyogenetic tree
*/
void setTree(PhyloTree *tree);
/**
set phylogenetic tree
@param tree associated phyogenetic tree
*/
PhyloTree *getTree() { return phylo_tree; }
/**
* @return model name with parameters in form of e.g. GTR{a,b,c,d,e,f}
*/
virtual string getNameParams() { return name; }
/**
@return false by default. True if rates are site-specific (Meyer and von Haeseler (2003) model)
*/
virtual bool isSiteSpecificRate() { return false; }
/**
@return TRUE if this is a heterotachy model, default: FALSE
*/
virtual bool isHeterotachy() { return false; }
/**
get the number of rate categories. The default returns 1 category since it is homogeneous model
@return the number of rate categories
*/
virtual int getNRate() { return 1; }
/**
set the number of rate categories. The default raises assertion since it is homogeneous model
*/
virtual void setNCategory(int ncat) { ASSERT(0); }
/**
initialize from checkpoint rates and prop from rate model with #category-1
*/
virtual void initFromCatMinusOne() {}
/**
get the number of rate categories for site-specific category model
The default returns 1 category since it is homogeneous model
@return the number of rate categories
*/
virtual int getNDiscreteRate() { return 1; }
/**
get the rate of a specified category. Default returns 1.0 since it is homogeneous model
@param category category ID from 0 to #category-1
@return the rate of the specified category
*/
virtual double getRate(int category) { return 1.0; }
/**
set the rate of a specified category.
@param category category ID from 0 to #category-1
@param value the rate of the specified category
*/
virtual void setRate(int category, double value) { }
/**
get the proportion of a specified category. Default returns 1.0 since it is homogeneous model
@param category category ID from 0 to #category-1
@return the proportion of the specified category
*/
virtual double getProp(int category) { return 1.0; }
/**
set the proportion of a specified category.
@param category category ID from 0 to #category-1
@return the proportion of the specified category
*/
virtual void setProp(int category, double value) {}
/**
get the rate of a specified site-pattern. Default returns 1.0 since it is homogeneous model
@param ptn pattern ID
@return the rate of the specified site-pattern
*/
virtual double getPtnRate(int ptn) { return 1.0; }
/**
get rate category of a specified site-pattern. Default returns -1 since it is homogeneous model
@param ptn pattern ID
@return the rate category of the specified site-pattern
*/
virtual int getPtnCat(int ptn) { return -1; }
/**
get the proportion of invariable sites. Default returns 0.0 since it is homogeneous model
@return the proportion of invariable sites
*/
virtual double getPInvar() { return 0.0; }
/**
set the proportion of invariable sites. Default: do nothing
@param pinv the proportion of invariable sites
*/
virtual void setPInvar(double pinv) { }
virtual bool isFixPInvar() const {
return true;
}
/**
set whether to fix p_invar
*/
virtual void setFixPInvar(bool fixPInvar) {}
/**
Set whether or not to optimize p_invar
@param opt TRUE to optimize p_invar, FALSE otherwise
*/
// virtual void setOptimizePInvar(bool opt) { }
/**
get the Gamma shape. Default returns 0.0 since it is homogeneous model
@return Gamma shape
*/
virtual double getGammaShape() { return 0.0; }
/**
set the Gamma shape. Default: nothing
@param gs Gamma shape
*/
virtual void setGammaShape(double gs) {}
virtual bool isFixGammaShape() const {
return true;
}
/**
set whether to fix gamma shape
*/
virtual void setFixGammaShape(bool fixGammaShape) {}
/**
@return >0 if this is a Gamma model (default: 0)
*/
virtual int isGammaRate() { return 0; }
/**
fix parameters, so that no optimization done
@param mode some input mode
*/
virtual int getFixParams() { return 0; }
/**
fix parameters, so that no optimization done
@param mode some input mode
*/
virtual void setFixParams(int mode) {}
/**
* check whether +I+G is used
*/
virtual bool isGammai() const {
return false;
}
/**
the target function which needs to be optimized
@param x the input vector x
@return the function value at x
*/
virtual double targetFunk(double x[]);
/**
* setup the bounds for joint optimization with BFGS
*/
virtual void setBounds(double *lower_bound, double *upper_bound, bool *bound_check) {}
/**
set number of optimization steps
@param opt_steps number of optimization steps
*/
virtual void setOptimizeSteps(int optimize_steps) { }
/**
optimize parameters. Default does nothing
@return the best likelihood
*/
virtual double optimizeParameters(double gradient_epsilon) { return 0.0; }
/**
classify rates into categories, this is meant for the discrete MH model.
The default just return tree_lh
@param tree_lh the current tree log-likelihood
*/
virtual double classifyRates(double tree_lh) { return tree_lh; }
/**
* used to normal branch lengths if mean rate is not equal to 1 (e.g. FreeRate model)
* @return mean rate, default = 1
*/
virtual double meanRates() { return 1.0; }
/**
* rescale rates s.t. mean rate is equal to 1, useful for FreeRate model
* @return rescaling factor
*/
virtual double rescaleRates() { return 1.0; }
/**
write information
@param out output stream
*/
virtual void writeInfo(ostream &out) {}
/**
write parameters, used with modeltest
@param out output stream
*/
virtual void writeParameters(ostream &out) {}
/**
Compute site-specific rates. Override this for Gamma model
@param pattern_rates (OUT) pattern rates. Resizing if necesary
@return total number of categories
*/
virtual int computePatternRates(DoubleVector &pattern_rates, IntVector &pattern_cat) { return 1; }
/**
name of the rate heterogeneity type
*/
string name;
/**
* Specify whether the initial starting value of the gamma shape and p_inv
* has already been tested.
*/
bool testParamDone;
/**
full name of the rate heterogeneity type
*/
string full_name;
/**
phylogenetic tree associated
*/
PhyloTree *phylo_tree;
protected:
/**
this function is served for the multi-dimension optimization. It should pack the model parameters
into a vector that is index from 1 (NOTE: not from 0)
@param variables (OUT) vector of variables, indexed from 1
*/
virtual void setVariables(double *variables) {}
/**
this function is served for the multi-dimension optimization. It should assign the model parameters
from a vector of variables that is index from 1 (NOTE: not from 0)
@param variables vector of variables, indexed from 1
@return TRUE if parameters are changed, FALSE otherwise (2015-10-20)
*/
virtual bool getVariables(double *variables) { return false; }
};
#endif
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