File: phylosupertree.h

package info (click to toggle)
iqtree 1.5.3%2Bdfsg-2~bpo8%2B1
  • links: PTS, VCS
  • area: main
  • in suites: jessie-backports
  • size: 9,780 kB
  • sloc: cpp: 96,162; ansic: 59,874; python: 242; sh: 189; makefile: 45
file content (351 lines) | stat: -rw-r--r-- 11,915 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
/***************************************************************************
 *   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 PHYLOSUPERTREE_H
#define PHYLOSUPERTREE_H

#include "iqtree.h"
#include "supernode.h"
#include "superalignment.h"


/**
Phylogenetic tree for partition model (multi-gene alignment)

	@author BUI Quang Minh <minh.bui@univie.ac.at>
*/
class PhyloSuperTree : public IQTree, public vector<PhyloTree* >
{
public:
	/**
		constructor
	*/
    PhyloSuperTree();

	/**
		constructor
	*/
    PhyloSuperTree(SuperAlignment *alignment, PhyloSuperTree *super_tree);

	/**
		constructor
	*/
    PhyloSuperTree(Params &params);


    ~PhyloSuperTree();

    /**
        set checkpoint object
        @param checkpoint
    */
    virtual void setCheckpoint(Checkpoint *checkpoint);

    /**
        save object into the checkpoint
    */
    virtual void saveCheckpoint();

    /**
        restore object from the checkpoint
    */
    virtual void restoreCheckpoint();

    /** read partition model file */
    void readPartition(Params &params);

    /** read RAxML-style partition file */
    void readPartitionRaxml(Params &params);

    /** read partition model file in NEXUS format into variable info */
    void readPartitionNexus(Params &params);

    void printPartition(const char *filename);

    void printPartitionRaxml(const char *filename);

    void printBestPartition(const char *filename);
    void printBestPartitionRaxml(const char *filename);

    /** remove identical sequences from the tree */
    virtual void removeIdenticalSeqs(Params &params);

    /** reinsert identical sequences into the tree and reset original alignment */
    virtual void reinsertIdenticalSeqs(Alignment *orig_aln);

	virtual void setParams(Params* params);

	/**
	 * setup all necessary parameters  (declared as virtual needed for phylosupertree)
	 */
	virtual void initSettings(Params& params);

    virtual void setLikelihoodKernel(LikelihoodKernel lk, int num_threads);

    virtual void changeLikelihoodKernel(LikelihoodKernel lk);

	virtual bool isSuperTree() { return true; }

    /**
     * Return the tree string contining taxon names and branch lengths
     * @return
     */
    virtual string getTreeString();

    /**
            Read the tree saved with Taxon Names and branch lengths.
            @param tree_string tree string to read from
            @param updatePLL if true, tree is read into PLL
     */
    virtual void readTreeString(const string &tree_string);

    /**
     * save branch lengths into a vector
     */
    virtual void saveBranchLengths(DoubleVector &lenvec, int startid = 0, PhyloNode *node = NULL, PhyloNode *dad = NULL);
    /**
     * restore branch lengths from a vector previously called with saveBranchLengths
     */
    virtual void restoreBranchLengths(DoubleVector &lenvec, int startid = 0, PhyloNode *node = NULL, PhyloNode *dad = NULL);

    /**
            allocate a new node. Override this if you have an inherited Node class.
            @param node_id node ID
            @param node_name node name
            @return a new node
     */
    virtual Node* newNode(int node_id = -1, const char* node_name = NULL);

    /**
            allocate a new node. Override this if you have an inherited Node class.
            @param node_id node ID
            @param node_name node name issued by an interger
            @return a new node
     */
    virtual Node* newNode(int node_id, int node_name);

	/**
	 *		@return number of alignment patterns
	*/
	virtual int getAlnNPattern();

	/**
	 *		@return number of alignment sites
	*/
	virtual int getAlnNSite();

    /**
            compute the distance between 2 sequences.
            @param seq1 index of sequence 1
            @param seq2 index of sequence 2
            @param initial_dist initial distance
            @return distance between seq1 and seq2
     */
    virtual double computeDist(int seq1, int seq2, double initial_dist, double &var);

	/**
		create sub-trees T|Y_1,...,T|Y_k of the current super-tree T
		and map F={f_1,...,f_k} the edges of supertree T to edges of subtrees T|Y_i
	*/
	virtual void mapTrees();

	/*
	 * create one map f_i from supertree T to subtree indexed by part (called by mapTrees)
	 * @param part index of subtree
	 * @param part_taxa vector of taxa of T that are present in subtree
	 * @param node the current node of the post-order tree traversal
	 * @param dad the dad of that node used to direct the traversal
	 */
	void linkTree(int part, NodeVector &part_taxa, SuperNode *node = NULL, SuperNode *dad = NULL);

	/**
	 * Given current supertree T and subtrees T|Y_1,...,T|Y_k, build all maps f_1,...,f_k
	 */
	virtual void linkTrees();

	/**
	 * link a branch from supertree to subtree (called by linkTree)
	 * @param part index of subtree
	 * @param nei pointer to branch
	 * @param dad_nei pointer to reverse branch
	 */
	void linkBranch(int part, SuperNeighbor *nei, SuperNeighbor *dad_nei);


    /**
            initialize partial_lh vector of all PhyloNeighbors, allocating central_partial_lh
     */
    virtual void initializeAllPartialLh();

    /**
            de-allocate central_partial_lh
     */
    virtual void deleteAllPartialLh();

    /**
     NEWLY ADDED (2014-12-04): clear all partial likelihood for a clean computation again
     */
    virtual void clearAllPartialLH(bool make_null = false);
    

    /**
            compute the tree likelihood
            @param pattern_lh (OUT) if not NULL, the function will assign pattern log-likelihoods to this vector
                            assuming pattern_lh has the size of the number of patterns
            @return tree likelihood
     */
    virtual double computeLikelihood(double *pattern_lh = NULL);

    /**
     * @return number of elements per site lhl entry, used in conjunction with computePatternLhCat
     */
    virtual int getNumLhCat(SiteLoglType wsl);

    /**
            compute pattern likelihoods only if the accumulated scaling factor is non-zero.
            Otherwise, copy the pattern_lh attribute
            @param pattern_lh (OUT) pattern log-likelihoods,
                            assuming pattern_lh has the size of the number of patterns
            @param cur_logl current log-likelihood (for sanity check)
            @param pattern_lh_cat (OUT) if not NULL, store all pattern-likelihood per category
     */
    virtual void computePatternLikelihood(double *pattern_lh, double *cur_logl = NULL,
    		double *pattern_lh_cat = NULL, SiteLoglType wsl = WSL_RATECAT);

    /**
            compute pattern posterior probabilities per rate/mixture category
            @param pattern_prob_cat (OUT) all pattern-probabilities per category
            @param wsl either WSL_RATECAT, WSL_MIXTURE or WSL_MIXTURE_RATECAT
     */
    virtual void computePatternProbabilityCategory(double *pattern_prob_cat, SiteLoglType wsl);

    /**
            optimize all branch lengths of all subtrees, then compute branch lengths
            of supertree as weighted average over all subtrees
            @param iterations number of iterations to loop through all branches
            @return the likelihood of the tree
     */
    virtual double optimizeAllBranches(int my_iterations = 100, double tolerance = TOL_LIKELIHOOD, int maxNRStep = 100);

    /**
            search the best swap for a branch
            @return NNIMove The best Move/Swap
            @param cur_score the current score of the tree before the swaps
            @param node1 1 of the 2 nodes on the branch
            @param node2 1 of the 2 nodes on the branch
     */
    virtual NNIMove getBestNNIForBran(PhyloNode *node1, PhyloNode *node2, NNIMove *nniMoves = NULL);

    /**
            Do an NNI on the supertree and synchronize all subtrees respectively
            @param move the single NNI
     */
    virtual void doNNI(NNIMove &move, bool clearLH = true);

    /**
     *   Apply 5 new branch lengths stored in the NNI move
     *   @param nnimove the NNI move currently in consideration
     */
    virtual void changeNNIBrans(NNIMove nnimove);

    /**
        OBSOLETE!
     * 	 Restore the branch lengths from the saved values
	 * @param node the current node of the post-order tree traversal
	 * @param dad the dad of that node used to direct the traversal
     */
//    virtual void restoreAllBrans(PhyloNode *node = NULL, PhyloNode *dad = NULL);

    /**
            reinsert the whole list of leaves back into the supertree then call mapTrees
            @param del_leaves the list of deleted leaves, returned by deleteLeaves() function
     */
    virtual void reinsertLeaves(PhyloNodeVector &del_leaves);

	/**
		compute the weighted average of branch lengths over partitions
	*/
	virtual void computeBranchLengths();

	/**
	 * print debug information about all maps
	 */
	virtual void printMapInfo();

	/**
	 * initialize partition information for super tree
	*/
	virtual void initPartitionInfo();

	int getMaxPartNameLength();

	/**
		partition information
	*/
	vector<PartitionInfo> part_info;

    /* partition ID sorted in descending order of computation cost */
    IntVector part_order;
    IntVector part_order_by_nptn;

    /* compute part_order vector */
    void computePartitionOrder();

    /**
            get the name of the model
    */
    virtual string getModelName();
	/**
	 * extract subtree containing all taxa from partition IDs
	 * @param ids partitions IDs
	 * @return subtree
	 */
    PhyloTree *extractSubtree(IntVector &ids);

    /**
     * compute the memory size required for storing partial likelihood vectors
     * @return memory size required in bytes
     */
    virtual uint64_t getMemoryRequired(size_t ncategory = 1, bool full_mem = false);

    /**
     * count the number of super branches that map to no branches in gene trees
     */
    int countEmptyBranches(PhyloNode *node = NULL, PhyloNode *dad = NULL);

    /**
            Neighbor-joining/parsimony tree might contain negative branch length. This
            function will fix this.
            @param fixed_length fixed branch length to set to negative branch lengths
            @param node the current node
            @param dad dad of the node, used to direct the search
            @return The number of branches that have no/negative length
     */
    virtual int fixNegativeBranch(bool force = false, Node *node = NULL, Node *dad = NULL);

    virtual int computeParsimonyBranchObsolete(PhyloNeighbor *dad_branch, PhyloNode *dad, int *branch_subst = NULL);

    /** True when mixed codon with other data type */
    bool rescale_codon_brlen;
    
    int totalNNIs, evalNNIs;

};

#endif