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#include "common.h"
#include <stdarg.h>
#include <search.h>
#define STATES 4
#define N_RATE_CATS 4
#define FASTAFILE "testdata/small.fas"
#define TREEFILE "testdata/small.rooted.tree"
#define TREEFILE_TIP "testdata/small.rooted.tip.tree"
static double prop_invar_list[4] = {0.0, 0.1, 0.5, 0.9};
typedef struct
{
int clv_valid;
} node_info_t;
int main(int argc, char * argv[])
{
unsigned int i, j;
unsigned int tip_nodes_count, inner_nodes_count, nodes_count, branch_count;
unsigned int matrix_count, ops_count;
unsigned int * matrix_indices;
double * branch_lengths;
pll_partition_t * partition;
pll_operation_t * operations;
pll_rnode_t ** travbuffer;
pll_rnode_t ** inner_nodes_list;
unsigned int params_indices[N_RATE_CATS] = {0,0,0,0};
/* parse the unrooted binary tree in newick format, and store the number
of tip nodes in tip_nodes_count */
pll_rtree_t * tree = pll_rtree_parse_newick(TREEFILE);
if (!tree)
{
printf("Error reading tree\n");
exit(1);
}
tip_nodes_count = tree->tip_count;
unsigned int attributes = get_attributes(argc, argv);
/* compute and show node count information */
inner_nodes_count = tip_nodes_count - 1;
nodes_count = inner_nodes_count + tip_nodes_count;
branch_count = nodes_count - 1;
printf("Number of tip/leaf nodes in tree: %d\n", tip_nodes_count);
printf("Number of inner nodes in tree: %d\n", inner_nodes_count);
printf("Total number of nodes in tree: %d\n", nodes_count);
printf("Number of branches in tree: %d\n", branch_count);
pll_rtree_show_ascii(tree->root,
PLL_UTREE_SHOW_LABEL |
PLL_UTREE_SHOW_BRANCH_LENGTH |
PLL_UTREE_SHOW_CLV_INDEX);
char * newick = pll_rtree_export_newick(tree->root,NULL);
printf("%s\n", newick);
free(newick);
/* create a libc hash table of size tip_nodes_count */
hcreate(tip_nodes_count);
/* populate a libc hash table with tree tip labels */
unsigned int * data = (unsigned int *)malloc(tip_nodes_count *
sizeof(unsigned int));
for (i = 0; i < tip_nodes_count; ++i)
{
data[i] = i;
ENTRY entry;
#ifdef __APPLE__
entry.key = xstrdup(tree->nodes[i]->label);
#else
entry.key = tree->nodes[i]->label;
#endif
entry.data = (void *)(data+i);
hsearch(entry, ENTER);
}
/* open FASTA file */
pll_fasta_t * fp = pll_fasta_open(FASTAFILE, pll_map_fasta);
if (!fp)
fatal("Error opening file");
char * seq = NULL;
char * hdr = NULL;
long seqlen;
long hdrlen;
long seqno;
/* allocate arrays to store FASTA headers and sequences */
char ** headers = (char **)calloc(tip_nodes_count, sizeof(char *));
char ** seqdata = (char **)calloc(tip_nodes_count, sizeof(char *));
/* read FASTA sequences and make sure they are all of the same length */
int sites = -1;
for (i = 0; pll_fasta_getnext(fp,&hdr,&hdrlen,&seq,&seqlen,&seqno); ++i)
{
if (i >= tip_nodes_count)
fatal("FASTA file contains more sequences than expected");
if (sites != -1 && sites != seqlen)
fatal("FASTA file does not contain equal size sequences\n");
if (sites == -1) sites = seqlen;
headers[i] = hdr;
seqdata[i] = seq;
}
/* did we stop reading the file because we reached EOF? */
if (pll_errno != PLL_ERROR_FILE_EOF)
fatal("Error while reading file");
/* close FASTA file */
pll_fasta_close(fp);
if (sites == -1)
fatal("Unable to read alignment");
if (i != tip_nodes_count)
fatal("Some taxa are missing from FASTA file");
partition = pll_partition_create(tip_nodes_count,
inner_nodes_count,
STATES,
(unsigned int)sites,
1,
branch_count,
N_RATE_CATS,
inner_nodes_count,
attributes
);
/* initialize the array of base frequencies */
double frequencies[4] = { 0.17, 0.19, 0.25, 0.39 };
/* substitution rates for the 4x4 GTR model. This means we need exactly
(4*4-4)/2 = 6 values, i.e. the number of elements above the diagonal */
double subst_params[6] = {1,1,1,1,1,1};
/* we'll use 4 rate categories, and currently initialize them to 0 */
double rate_cats[4] = {0};
/* compute the discretized category rates from a gamma distribution
with alpha shape 1 and store them in rate_cats */
pll_compute_gamma_cats(1, 4, rate_cats, PLL_GAMMA_RATES_MEAN);
/* set frequencies at model with index 0 (we currently have only one model) */
pll_set_frequencies(partition, 0, frequencies);
/* set 6 substitution parameters at model with index 0 */
pll_set_subst_params(partition, 0, subst_params);
/* set rate categories */
pll_set_category_rates(partition, rate_cats);
/* find sequences in hash table and link them with the corresponding taxa */
for (i = 0; i < tip_nodes_count; ++i)
{
ENTRY query;
query.key = headers[i];
ENTRY * found = NULL;
found = hsearch(query,FIND);
if (!found)
fatal("Sequence with header %s does not appear in the tree", hdr);
unsigned int tip_clv_index = *((unsigned int *)(found->data));
pll_set_tip_states(partition, tip_clv_index, pll_map_nt, seqdata[i]);
}
/* destroy hash table */
hdestroy();
/* we no longer need these two arrays (keys and values of hash table... */
free(data);
/* ...neither the sequences and the headers as they are already
present in the form of probabilities in the tip CLVs */
for(i = 0; i < tip_nodes_count; ++i)
{
free(seqdata[i]);
free(headers[i]);
}
free(seqdata);
free(headers);
/* allocate a buffer for storing pointers to nodes of the tree in postorder
traversal */
travbuffer = (pll_rnode_t **)malloc(nodes_count * sizeof(pll_rnode_t *));
branch_lengths = (double *)malloc(branch_count * sizeof(double));
matrix_indices = (unsigned int *)malloc(branch_count * sizeof(int));
operations = (pll_operation_t *)malloc(inner_nodes_count *
sizeof(pll_operation_t));
/* get inner nodes */
inner_nodes_list = (pll_rnode_t **)malloc(inner_nodes_count *
sizeof(pll_rnode_t *));
memcpy(inner_nodes_list,
tree->nodes+tip_nodes_count,
inner_nodes_count*sizeof(pll_rnode_t *));
unsigned int traversal_size;
/* compute a partial traversal starting from the randomly selected
inner node */
if (!pll_rtree_traverse(tree->root,
PLL_TREE_TRAVERSE_POSTORDER,
cb_rfull_traversal,
travbuffer,
&traversal_size))
fatal("Function pll_rtree_traverse() root node as parameter");
/* given the computed traversal descriptor, generate the operations
structure, and the corresponding probability matrix indices that
may need recomputing */
pll_rtree_create_operations(travbuffer,
traversal_size,
branch_lengths,
matrix_indices,
operations,
&matrix_count,
&ops_count);
printf ("Traversal size: %d\n", traversal_size);
printf ("Operations: %d\n", ops_count);
printf ("Matrices: %d\n", matrix_count);
for (j=0; j<4; ++j)
{
pll_update_invariant_sites_proportion(partition,
0,
prop_invar_list[j]);
/* update matrix_count probability matrices for model with index 0. The i-th
matrix (i ranges from 0 to matrix_count - 1) is generated using branch
length branch_lengths[i] and can be refered to with index
matrix_indices[i] */
pll_update_prob_matrices(partition,
params_indices,
matrix_indices,
branch_lengths,
matrix_count);
for (i = 0; i < branch_count; ++i)
{
printf ("P-matrix (%d) for branch length %f\n", i, branch_lengths[i]);
pll_show_pmatrix(partition, i,6);
printf ("\n");
}
/* use the operations array to compute all ops_count inner CLVs. Operations
will be carried out sequentially starting from operation 0 towrds ops_count-1 */
pll_update_partials(partition, operations, ops_count);
/* compute the likelihood on an edge of the unrooted tree by specifying
the CLV indices at the two end-point of the branch, the probability matrix
index for the concrete branch length, and the index of the model of whose
frequency vector is to be used */
double logl = pll_compute_root_loglikelihood(partition,
tree->root->clv_index,
tree->root->scaler_index,
params_indices,
NULL);
printf("Log-L: %f (pinv = %f)\n", logl, prop_invar_list[j]);
}
/* deallocate the inner nodes list */
free(inner_nodes_list);
/* destroy all structures allocated for the concrete PLL partition instance */
pll_partition_destroy(partition);
/* deallocate traversal buffer, branch lengths array, matrix indices
array and operations */
free(travbuffer);
free(branch_lengths);
free(matrix_indices);
free(operations);
/* we will no longer need the tree structure */
pll_rtree_destroy(tree,NULL);
return (EXIT_SUCCESS);
}
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