void readkgml_sign_int(const char* filename,
vector<string> &vertices,
vector<int> &edges,
vector< vector<string> > &attr,
vector< vector<string> > &pathway_attr,
bool expand_complexes, bool verbose)
{
xmlDocPtr doc;
xmlXPathContextPtr xpathCtx = NULL;
xmlXPathObjectPtr nodes;
if(verbose) Rprintf("Processing KGML file: %s",filename);
/* Load XML document */
doc = xmlParseFile(filename);
if (doc == NULL) {
Rf_warningcall(mkChar(filename), "Unable to parse file.");
if(verbose) Rprintf(": Error.\n");
return;
}
//Check if the xml file has a KEGG DTD System.
/* Check it is a kegg pathway file */
if(doc->intSubset == NULL ||
strcmp( (char *) (doc->intSubset->name), "pathway") != 0 )
//strncmp( (char *) (doc->intSubset->SystemID), "http://www.kegg.jp/kegg/", 24) !=0)
{
Rf_warningcall(mkChar(filename), "File is not KEGG pathway file.");
xmlFreeDoc(doc);
if(verbose) Rprintf(": Error.\n");
return;
}
/* Get pathway information :*/
xmlNodePtr pathway = xmlDocGetRootElement(doc);
if(!pathway || strcmp( (char *) (pathway->name), "pathway") != 0){
Rf_warningcall(mkChar(filename), "No pathways in file.");
xmlXPathFreeContext(xpathCtx);
xmlFreeDoc(doc);
if(verbose) Rprintf(": Error.\n");
return;
}
vector<string> pathway_info;
const char* pathwayId = get_attr(pathway, "name");
if(!pathwayId){
Rf_warningcall(mkChar(filename), "Pathway ID not found in file. Using file name instead.");
pathwayId = filename;
}else{
pathwayId +=5; //Remove "path:" leading characters//
}
const char* pathwayTitle = get_attr(pathway, "title");
if(!pathwayTitle){
Rf_warningcall(mkChar(pathwayId), "Pathway title not found in file.");
pathwayTitle = "";
}
if(verbose) Rprintf(" \"%s\"",pathwayTitle);
/* Create xpath evaluation context */
xpathCtx = xmlXPathNewContext(doc);
if(xpathCtx == NULL) {
Rf_warningcall(mkChar(filename), "Unable to create new XPath context.");
xmlFreeDoc(doc);
if(verbose) Rprintf(": Error.\n");
return;
}
/* Evaluate xpath expression */
nodes = xmlXPathEvalExpression((xmlChar *) "//relation", xpathCtx);
if(nodes == NULL || nodes->nodesetval == NULL || nodes->nodesetval->nodeNr == 0) {
Rf_warningcall(mkChar(pathwayId), "Pathway contains no Protein-protein relationships.");
xmlXPathFreeContext(xpathCtx);
xmlFreeDoc(doc);
if(verbose) Rprintf(": Error.\n");
return;
}
/* Parse XML Reactions*/
xmlNodePtr curRelation;
int size = (nodes->nodesetval) ? nodes->nodesetval->nodeNr : 0;
if(verbose) Rprintf(": %d gene relations found.\n",size);
/* Looping over "relations" */
for(int i = 0; i < size; ++i) {
curRelation = nodes->nodesetval->nodeTab[i];
char* type = get_attr(curRelation, "type");
if(!type || strcmp(type, "maplink") == 0 )
continue;
// Get gene names for entry1 and entry2
vector<string> p1,p2; //Holder objects for all gene names in this "relation"
char* entry1 = get_attr(curRelation, "entry1");
char* p1_name = entry1 ? attr_by_id(entry1, "name", xpathCtx) : NULL;
if(p1_name && strcmp(p1_name, "undefined") == 0 ){
p1_name = get_group_components(entry1, xpathCtx);
}
if(!p1_name) continue;
char* entry2 = get_attr(curRelation, "entry2");
char* p2_name = entry2 ? attr_by_id(entry2, "name", xpathCtx) : NULL;
if(p2_name && strcmp(p2_name, "undefined") == 0 ){
p2_name = get_group_components(entry2, xpathCtx);
}
if(!p2_name) continue;
/* If complexes are expanded, each gene is a separate vertex.
* Otherwise, all genes participating in the relation are kept in a single vertex.
*/
if(expand_complexes){
p1 = split(p1_name, ' ');
p2 = split(p2_name, ' ');
}else{
p1.push_back(p1_name);
p2.push_back(p2_name);
}
// Check if p1, p2 are already in our stack.
vector<size_t> p1_pos, p2_pos;
for(size_t j = 0; j < p1.size(); j++){
p1_pos.push_back( elem_pos( vertices, p1[j] ) );
if(p1_pos[j] == vertices.size())
vertices.push_back(p1[j]);
}
for(size_t k = 0; k < p2.size(); k++){
p2_pos.push_back( elem_pos( vertices, p2[k] ) );
if(p2_pos[k] == vertices.size())
vertices.push_back(p2[k]);
}
/* Setting pathway attributes for all added vertices */
//making sure pathway and vertices vectors are of the same size//
for(size_t p_attr = pathway_attr.size(); p_attr < vertices.size(); p_attr++)
{ pathway_attr.push_back(vector<string>()); }
//Adding this pathway as attribute, if it's not already added//
string pid = pathwayId;
for(size_t j=0; j<p1_pos.size(); j++){
if( !elem_in_vector(pathway_attr[ p1_pos[j] ], pid ) ){
pathway_attr[ p1_pos[j] ].push_back(pathwayId);
pathway_attr[ p1_pos[j] ].push_back(pathwayTitle);
}
}
for(size_t k=0; k<p2_pos.size(); k++){
if( !elem_in_vector(pathway_attr[ p2_pos[k] ], pid ) ){
pathway_attr[ p2_pos[k] ].push_back(pathwayId);
pathway_attr[ p2_pos[k] ].push_back(pathwayTitle);
}
}
/* Edges to connect the added vertices, and their attributes */
// Relation parsing depennds on its type //
if( strcmp(type, "PPrel") == 0 || strcmp(type, "GErel") == 0 || strcmp(type, "PCrel") == 0 ){
// Add all combinatiosn from p1-> p2 as edges.
for(size_t j=0; j<p1_pos.size(); j++){
for(size_t k=0; k<p2_pos.size(); k++){
edges.push_back(p1_pos[j]); edges.push_back(p2_pos[k]);
}
}
vector<string> e_attr;
xpathCtx->node = curRelation;
xmlNodeSetPtr subtype = xmlXPathEvalExpression( (const xmlChar *) "./subtype", xpathCtx ) ->nodesetval;
int numOfattr = (subtype) ? subtype->nodeNr : 0;
for (int a = 0;a < numOfattr;a++){
xmlNodePtr sub_node = subtype->nodeTab[a];
char* subtype_name = get_attr(sub_node, "name");
if(!subtype_name)
continue;
if(strcmp(subtype_name, "compound") == 0){
char* cpd_name = attr_by_id(get_attr(sub_node, "value"), "name", xpathCtx);
e_attr.push_back(cpd_name);
}else{
e_attr.push_back(subtype_name);
}
}
// Add the same attribute for all added edges.
for(size_t l=0; l<p1_pos.size()*p2_pos.size(); l++)
attr.push_back(e_attr);
}
else if(strcmp(type, "ECrel") == 0 ){
/* ECrel indicated participation in 2 succesive reactions
* For ECrel, KGML deson't respect the direction of the relation
* Here, I will try to find whether it's entry1->entry2, or the reverse.
* Below, p1 particpates in r1, and p2 in r2, and the shared compound is cpd.
*/
char* cpd_id = get_attr(curRelation->children->next, "value");
char* cpd = attr_by_id(cpd_id, "name", xpathCtx); //Cpd name
if(!cpd) continue;
char* r1_name = attr_by_id(entry1, "reaction",xpathCtx);
xmlNodePtr r1node = r1_name ? node_by_attr_val("name", r1_name, "reaction",xpathCtx) : NULL;
if(!r1node)continue;
bool r1_rev = strcmp(get_attr(r1node, "type"), "reversible") == 0;
bool r1_cpd = false; //If R1->Cpd (compound is a product of R1).
if(!r1_rev){
xpathCtx->node = r1node;
string childXPath = ((string)"./*[@name='")+((string)cpd)+((string)"']");
xmlNodeSetPtr children = xmlXPathEvalExpression(
(const xmlChar *) childXPath.c_str(), xpathCtx ) ->nodesetval;
char* role = children && children->nodeNr >0 ? (char*)children->nodeTab[0]-> name : NULL;
if(!role) continue;
if(strcmp( role , "product") == 0)
r1_cpd = true;
else{ r1_cpd = false;}
}// !r1_rev
char* r2_name = attr_by_id(entry2, "reaction",xpathCtx);
xmlNodePtr r2node = r2_name ? node_by_attr_val("name", r2_name, "reaction",xpathCtx) : NULL;
if(!r2node)continue;
bool r2_rev = strcmp(get_attr(r2node, "type"), "reversible") == 0;
bool r2_cpd = false;
if(!r2_rev){
xpathCtx->node = r2node;
string childXPath = ((string)"./*[@name='")+((string)cpd)+((string)"']");
xmlNodeSetPtr children = xmlXPathEvalExpression(
(const xmlChar *) childXPath.c_str(), xpathCtx ) ->nodesetval;
char* role = children && children->nodeNr >0 ? (char*)children->nodeTab[0]-> name : NULL;
if(!role) continue;
if(strcmp( role , "product") == 0)
r2_cpd = true;
else{ r2_cpd = false;}
}// !r2_rev
/* the order of r1, r2 is:
* r1 -> r2 if cpd is a product of r1 and substrate of 2
* meaning r1_cpd=true, r2_cpd=false.
* The opposite is also true.
* The value of r1_cpd doesn't matter if r1 reversible.
*/
if((r1_rev || r1_cpd) && (r2_rev || !r2_cpd)){
for(size_t j=0; j<p1_pos.size(); j++){
for(size_t k=0; k<p2_pos.size(); k++){
edges.push_back(p1_pos[j]); edges.push_back(p2_pos[k]);
vector<string> e_attr; e_attr.push_back(cpd);
attr.push_back(e_attr);
}
}
}// R1->R2
if((r1_rev || !r1_cpd) && (r2_rev || r2_cpd)){
for(size_t j=0; j<p1_pos.size(); j++){
for(size_t k=0; k<p2_pos.size(); k++){
edges.push_back(p2_pos[k]); edges.push_back(p1_pos[j]);
vector<string> e_attr; e_attr.push_back(cpd);
attr.push_back(e_attr);
}
}
}// R2->R1 (order is reversed)
}// End ECrel
}// End for(relations)
}//kgml_sig_int
bool elem_in_vector(vector<T> v, T &e){
return( elem_pos(v,e) < v.size() );
}
/*
* Returns maximal element of m1 * m2.
*/
struct elem_pos_t* max_res_elem(struct matrix_t* m1, struct matrix_t* m2) {
msize_t row, col;
elem_t* restrict res;
msize_t max_row, max_col;
elem_t max_res;
#ifndef NDEBUG
max_row = max_col = -1;
#endif
max_res = MIN_ELEM;
#ifndef NDEBUG
print_matrix(m1);
print_matrix(m2);
#endif
assert (m1->n_cols == m2->n_rows);
/* Optimize for cache misses */
if ((m2 = transpose(m2)) == NULL) {
return NULL;
}
if ((res = (elem_t*) _mm_malloc(sizeof(elem_t) * m1->n_rows * m2->n_rows, ELEM_ALIGN)) == NULL) {
return NULL;
}
{
msize_t m1_nrows, m2_nrows, m1_ncols;
m1_nrows = m1->n_rows;
m2_nrows = m2->n_rows;
m1_ncols = m1->n_cols;
/* no dependencies between iterations */
#pragma parallel
for (row = 0; row < m1_nrows; row++) {
#pragma parallel
for (col = 0; col < m2_nrows; col++) {
res[row * m2_nrows + col] =
mult_vect(m1->data[row], m2->data[col], m1_ncols);
}
}
for (row = 0; row < m1_nrows; row++) {
for (col = 0; col < m2_nrows; col++) {
if (res[row * m2_nrows + col] > max_res) {
max_res = res[row * m2_nrows + col];
max_row = row;
max_col = col;
}
}
}
}
free_matrix(m2);
_mm_free(res);
assert ((max_row >= 0) && (max_col >= 0));
return elem_pos(max_row, max_col, max_res);
}
