Trisurf Monte Carlo simulator
Samo Penic
2016-03-01 ab798b28b9f3b836db6c9eb9e4a25d57981022ae
src/restore.c
@@ -12,13 +12,14 @@
#include "triangle.h"
#include "bond.h"
#include "energy.h"
#include "poly.h"
#include "initial_distribution.h"
#include "io.h"
ts_bool parseDump(char *dumpfname) {
ts_vesicle *parseDump(char *dumpfname) {
   xmlDocPtr doc;
   xmlNodePtr cur, cur1,cur2;
   ts_vesicle *vesicle=NULL;
   doc = xmlParseFile(dumpfname);
   
   if (doc == NULL ) {
@@ -37,6 +38,11 @@
   
   cur = cur->xmlChildrenNode;
   while (cur != NULL) {
      if ((!xmlStrcmp(cur->name, (const xmlChar *)"tape"))){
         setGlobalTapeTXTfromTapeTag(doc, cur);
      }
      if ((!xmlStrcmp(cur->name, (const xmlChar *)"trisurf"))){
         vesicle=parseTrisurfTag(doc, cur);
      }
@@ -68,18 +74,27 @@
   }
   
   xmlFreeDoc(doc);
//   vesicle->poly_list=init_poly_list(0, 0, vesicle->vlist, vesicle);
   init_normal_vectors(vesicle->tlist);
   mean_curvature_and_energy(vesicle);
/* TODO: cells, polymeres, filaments, core, tape */
/* TODO: filaments */
   fprintf(stderr,"Restoration completed\n");
   write_vertex_xml_file(vesicle,999);
   vesicle_free(vesicle);
   exit(0);
   return TS_SUCCESS;
//   write_vertex_xml_file(vesicle,999);
//   vesicle_free(vesicle);
//   exit(0);
   return vesicle;
}
ts_bool setGlobalTapeTXTfromTapeTag(xmlDocPtr doc, xmlNodePtr cur){
   xmlChar *tape = xmlNodeListGetString(doc, cur->xmlChildrenNode, 1);
   strcpy(tapetxt,(char *)tape);
   xmlFree(tape);
   return TS_SUCCESS;
}
/* this is a parser of additional data in xml */
@@ -121,16 +136,18 @@
   free(subtree);
#endif
   /*parse xml subtree */
   xmlChar *nvtx, *npoly, *nfono;
   xmlChar *nvtx, *npoly, *nmono;
   nvtx = xmlGetProp(cur, (xmlChar *)"nvtx");
   npoly=xmlGetProp(cur, (xmlChar *)"npoly");
   nfono=xmlGetProp(cur, (xmlChar *)"nfono");
   fprintf(stderr,"nvtx=%u\n",atoi((char *)nvtx));
   ts_vesicle *vesicle=init_vesicle(atoi((char *)nvtx),10,10,10,0.1);
   nmono=xmlGetProp(cur, (xmlChar *)"nmono");
   ts_tape *tape=parsetapebuffer(tapetxt);
   //fprintf(stderr,"nvtx=%u\n",atoi((char *)nvtx));
   //TODO: check if nvtx is in agreement with nshell from tape
   ts_vesicle *vesicle=init_vesicle(atoi((char *)nvtx),tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize);
   //vesicle->poly_list=init_poly_list(atoi((char *)npoly),atoi((char *)nmono), vesicle->vlist, vesicle);
   xmlFree(nvtx);
   xmlFree(npoly);
   xmlFree(nfono);
   xmlFree(nmono);
   child = cur->xmlChildrenNode;
   while (child != NULL) {
@@ -151,6 +168,8 @@
   }
   vesicle->tape=tape;
   set_vesicle_values_from_tape(vesicle);
   return vesicle;
}
@@ -266,7 +285,7 @@
   xmlNodePtr child = cur->xmlChildrenNode;
   xmlChar *points;
   char *pts;
   int i, idx;
   int i, idx, polyidx, monoidx;
   char *token[3];
   while (child != NULL) {
      if ((!xmlStrcmp(child->name, (const xmlChar *)"DataArray"))){
@@ -277,9 +296,17 @@
         token[2]=strtok(NULL,"\n");
         idx=0;
         while(token[0]!=NULL){
            vesicle->vlist->vtx[idx]->x=atof(token[0]);
            vesicle->vlist->vtx[idx]->y=atof(token[1]);
            vesicle->vlist->vtx[idx]->z=atof(token[2]);
            if(idx<vesicle->vlist->n){
               vesicle->vlist->vtx[idx]->x=atof(token[0]);
               vesicle->vlist->vtx[idx]->y=atof(token[1]);
               vesicle->vlist->vtx[idx]->z=atof(token[2]);
            } else {
               polyidx=(idx-vesicle->vlist->n)/vesicle->tape->nmono;
               monoidx=(idx-vesicle->vlist->n)%vesicle->tape->nmono;
               vesicle->poly_list->poly[polyidx]->vlist->vtx[monoidx]->x=atof(token[0]);
               vesicle->poly_list->poly[polyidx]->vlist->vtx[monoidx]->y=atof(token[1]);
               vesicle->poly_list->poly[polyidx]->vlist->vtx[monoidx]->z=atof(token[2]);
            }
            for(i=0;i<2;i++)   token[i]=strtok(NULL," ");   
            token[2]=strtok(NULL,"\n");
            idx++;
@@ -294,25 +321,38 @@
}
ts_bool parseXMLBonds(ts_vesicle *vesicle,xmlDocPtr doc, xmlNodePtr cur){
   xmlNodePtr child = cur->xmlChildrenNode;
   xmlChar *bonds;
   xmlChar *bonds, *conname;
   char *b;
   int idx;
   int idx, polyidx;
   char *token[2];
   while (child != NULL) {
      if ((!xmlStrcmp(child->name, (const xmlChar *)"DataArray")) && !xmlStrcmp(xmlGetProp(child, (xmlChar *)"Name"), (const xmlChar *)"connectivity") ){
      conname=xmlGetProp(child, (xmlChar *)"Name");
      if ((!xmlStrcmp(child->name, (const xmlChar *)"DataArray")) && !xmlStrcmp(conname, (const xmlChar *)"connectivity") ){
         bonds = xmlNodeListGetString(doc, child->xmlChildrenNode, 1);
         b=(char *)bonds;
         token[0]=strtok(b," ");
         token[1]=strtok(NULL,"\n");
         idx=0;
         while(token[0]!=NULL){
            bond_add(vesicle->blist, vesicle->vlist->vtx[atoi(token[0])], vesicle->vlist->vtx[atoi(token[1])]);
            if(idx<3*(vesicle->vlist->n-2)){
               bond_add(vesicle->blist, vesicle->vlist->vtx[atoi(token[0])], vesicle->vlist->vtx[atoi(token[1])]);
            }
            else {
            //find grafted vtx
               if((vesicle->tape->nmono-1)==(idx-3*(vesicle->vlist->n-2))%(vesicle->tape->nmono)){
                  polyidx=(idx-3*(vesicle->vlist->n-2))/(vesicle->tape->nmono);
                  fprintf(stderr,"poly=%d, vertex=%d\n",polyidx,atoi(token[0]));
                  vesicle->poly_list->poly[polyidx]->grafted_vtx=vesicle->vlist->vtx[atoi(token[0])];
                  vesicle->vlist->vtx[atoi(token[0])]->grafted_poly=vesicle->poly_list->poly[polyidx];
               }
            }
            token[0]=strtok(NULL," ");   
            token[1]=strtok(NULL,"\n");   
            idx++;
         }
         xmlFree(bonds);
      }
      xmlFree(conname);
      child=child->next;
   }
   fprintf(stderr,"Bond data j=%d\n",idx);