Finished spontaneous force

Samo Penic

2016-07-06 250de4d124ea8dc4929a9c334d94fc51018fa53c

 src/restore.c

@@ -1,3 +1,4 @@
/* vim: set ts=4 sts=4 sw=4 noet : */
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
@@ -14,12 +15,12 @@
#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 ) {
@@ -38,6 +39,11 @@
   
   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);
      }
@@ -48,13 +54,18 @@
            if ((!xmlStrcmp(cur1->name, (const xmlChar *)"Piece"))){
               cur2=cur1->xmlChildrenNode;
               while(cur2!=NULL){
                  if ((!xmlStrcmp(cur2->name, (const xmlChar *)"Points"))){
                     fprintf(stderr,"Found point data\n");
                  if ((!xmlStrcmp(cur2->name, (const xmlChar *)"PointData"))){
                     if(vesicle!=NULL)
                        parseXMLPointData(vesicle,doc,cur2);
                  }
                  if ((!xmlStrcmp(cur2->name, (const xmlChar *)"Points"))){
                     //fprintf(stderr,"Found point data\n");
                     if(vesicle!=NULL)
                        //fprintf(stderr,"Fils: %ld, Nfono: %ld\n", vesicle->tape->nfil, vesicle->tape->nfono);
                        parseXMLVertexPosition(vesicle, doc, cur2);
                  }
                  if ((!xmlStrcmp(cur2->name, (const xmlChar *)"Cells"))){
                  fprintf(stderr,"Found cell(Bonds) data\n");
                  //fprintf(stderr,"Found cell(Bonds) data\n");
                     if(vesicle!=NULL)
                        parseXMLBonds(vesicle, doc, cur2);
                  }
@@ -70,25 +81,32 @@
   
   xmlFreeDoc(doc);

   vesicle->poly_list=init_poly_list(0, 0, vesicle->vlist, vesicle);
//   vesicle->poly_list=init_poly_list(0, 0, vesicle->vlist, vesicle);

   init_normal_vectors(vesicle->tlist);
   mean_curvature_and_energy(vesicle);
   sweep_attraction_bond_energy(vesicle);

/* TODO: cells, polymeres, filaments, core, tape */
/* TODO: filaments */

   fprintf(stderr,"Restoration completed\n");
//   ts_fprintf(stdout,"Restoration completed\n");
//   write_vertex_xml_file(vesicle,999);
   vesicle_free(vesicle);
   exit(0);
//   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 */
ts_vesicle *parseTrisurfTag(xmlDocPtr doc, xmlNodePtr cur){
   fprintf(stderr,"Parsing trisurf tag\n");
   //fprintf(stderr,"Parsing trisurf tag\n");
   xmlNodePtr child;

#ifdef COMPRESS
@@ -118,23 +136,25 @@
       inflateInit(&infstream);
       inflate(&infstream, Z_NO_FLUSH);
       inflateEnd(&infstream);   
   fprintf(stderr,"%lu\n",cLen);
   //fprintf(stderr,"%lu\n",cLen);
   subtree[infstream.total_out]='\0'; //zero terminate string   
   fprintf(stderr,"%s\n",subtree);
   //fprintf(stderr,"%s\n",subtree);
   
   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) {
@@ -150,18 +170,56 @@
       if ((!xmlStrcmp(child->name, (const xmlChar *)"tristar"))){
         parseTrisurfTristar(vesicle, doc, child);
      }
       if ((!xmlStrcmp(child->name, (const xmlChar *)"nucleus"))){
         parseTrisurfNucleus(vesicle, doc, child);
      }
        if ((!xmlStrcmp(child->name, (const xmlChar *)"constant_volume"))){
         parseTrisurfConstantVolume(doc, child);
      }
        if ((!xmlStrcmp(child->name, (const xmlChar *)"constant_area"))){
         parseTrisurfConstantArea(doc, child);
      }


   child = child->next;
   }



   vesicle->tape=tape;
   set_vesicle_values_from_tape(vesicle);
   return vesicle;
}



/* Low level tags parsers */
ts_bool parseTrisurfConstantVolume(xmlDocPtr doc, xmlNodePtr cur){
   xmlChar *cvol = xmlNodeListGetString(doc, cur->xmlChildrenNode, 1);
   char *n=(char *)cvol;
   V0=atof(n);
   xmlFree(cvol);
   return TS_SUCCESS;
}
ts_bool parseTrisurfConstantArea(xmlDocPtr doc, xmlNodePtr cur){
   xmlChar *carea = xmlNodeListGetString(doc, cur->xmlChildrenNode, 1);
   char *n=(char *)carea;
   A0=atof(n);
   xmlFree(carea);
   return TS_SUCCESS;
}

ts_bool parseTrisurfNucleus(ts_vesicle *vesicle, xmlDocPtr doc, xmlNodePtr cur){
   xmlChar *coords = xmlNodeListGetString(doc, cur->xmlChildrenNode, 1);
   char *n=(char *)coords;
   char *token=strtok(n," ");
   ts_uint i;
   for(i=0;i<3;i++){
      vesicle->nucleus_center[i]=atof(token);
      token=strtok(NULL," ");
   }
   xmlFree(coords);
   return TS_SUCCESS;
}

ts_bool parseTrisurfVtxn(ts_vertex_list *vlist, xmlDocPtr doc, xmlNodePtr cur){

@@ -206,7 +264,7 @@
      for(i=0;i<3;i++)   vtx[i]=strtok(NULL," ");
      j++;
   }   
   fprintf(stderr,"Parsing triangles %s j=%d\n",triangles,j);	
   //fprintf(stderr,"Parsing triangles %s j=%d\n",triangles,j);	

   xmlFree(triangles);
   return TS_SUCCESS;
@@ -230,7 +288,7 @@
      j++;
      for(i=0;i<3;i++)   ntria[i]=strtok(NULL," ");
   }   
   fprintf(stderr,"Parsing triangle neighbors j=%d\n",j);	
   //fprintf(stderr,"Parsing triangle neighbors j=%d\n",j);	

   xmlFree(triangles);
   return TS_SUCCESS;
@@ -264,13 +322,54 @@
   return TS_SUCCESS;
}


/* this parses the data for vertices (like spontaneous curvature, etc.) */
ts_bool parseXMLPointData(ts_vesicle *vesicle,xmlDocPtr doc, xmlNodePtr cur){
   xmlNodePtr child = cur->xmlChildrenNode;
   xmlChar *property_name;
   xmlChar *values;
   char *vals;
   char *token;
   int idx, polyidx, monoidx, filidx, fonoidx;
   while (child != NULL) {
      if ((!xmlStrcmp(child->name, (const xmlChar *)"DataArray"))){
         property_name=xmlGetProp(child, (xmlChar *)"Name");
      //   fprintf(stderr,"Name: %s\n", property_name);
         if(!xmlStrcmp(property_name,(const xmlChar *)"spontaneous_curvature")){
            values=xmlNodeListGetString(doc,child->xmlChildrenNode,1);
            vals=(char *)values;
            token=strtok(vals," ");
            idx=0;
            while(token!=NULL){
               if(idx<vesicle->vlist->n){
                  vesicle->vlist->vtx[idx]->c=atof(token);
               } else if(vesicle->tape->nmono && vesicle->tape->npoly && idx<vesicle->vlist->n+vesicle->tape->nmono*vesicle->tape->npoly) {
                  polyidx=(idx-vesicle->vlist->n)/vesicle->tape->nmono;
                  monoidx=(idx-vesicle->vlist->n)%vesicle->tape->nmono;
                  vesicle->poly_list->poly[polyidx]->vlist->vtx[monoidx]->c=atof(token);
               } else {
                  filidx=(idx-vesicle->vlist->n-vesicle->tape->nmono*vesicle->tape->npoly)/vesicle->tape->nfono;
                  fonoidx=(idx-vesicle->vlist->n-vesicle->tape->nmono*vesicle->tape->npoly)%vesicle->tape->nfono;
                  //fprintf(stderr,"filidx=%d, fonoidx=%d, coord=%s,%s,%s\n",filidx,fonoidx,token[0],token[1],token[2]);
                  vesicle->filament_list->poly[filidx]->vlist->vtx[fonoidx]->c=atof(token);
               }
               idx++;
               token=strtok(NULL," ");
            }
            xmlFree(values);		
         }
         xmlFree(property_name);
      }
		
      child=child->next;
   }
   return TS_SUCCESS;
}
/* this is a parser of vertex positions and bonds from main xml data */
ts_bool parseXMLVertexPosition(ts_vesicle *vesicle,xmlDocPtr doc, xmlNodePtr cur){
   xmlNodePtr child = cur->xmlChildrenNode;
   xmlChar *points;
   char *pts;
   int i, idx;
   int i, idx, polyidx, monoidx, filidx, fonoidx;
   char *token[3];
   while (child != NULL) {
      if ((!xmlStrcmp(child->name, (const xmlChar *)"DataArray"))){
@@ -281,9 +380,24 @@
         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 if(vesicle->tape->nmono && vesicle->tape->npoly && idx<vesicle->vlist->n+vesicle->tape->nmono*vesicle->tape->npoly) {
               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]);
            } else {
               filidx=(idx-vesicle->vlist->n-vesicle->tape->nmono*vesicle->tape->npoly)/vesicle->tape->nfono;
               fonoidx=(idx-vesicle->vlist->n-vesicle->tape->nmono*vesicle->tape->npoly)%vesicle->tape->nfono;
               //fprintf(stderr,"filidx=%d, fonoidx=%d, coord=%s,%s,%s\n",filidx,fonoidx,token[0],token[1],token[2]);
               vesicle->filament_list->poly[filidx]->vlist->vtx[fonoidx]->x=atof(token[0]);
               vesicle->filament_list->poly[filidx]->vlist->vtx[fonoidx]->y=atof(token[1]);
               vesicle->filament_list->poly[filidx]->vlist->vtx[fonoidx]->z=atof(token[2]);
            }
            for(i=0;i<2;i++)   token[i]=strtok(NULL," ");   
            token[2]=strtok(NULL,"\n");
            idx++;
@@ -292,7 +406,8 @@
      }
      child=child->next;
   }
   fprintf(stderr,"Vertices position j=%d\n",idx);	
   //fprintf(stderr,"Came here\n");
   //fprintf(stderr,"Vertices position j=%d\n",idx);	

   return TS_SUCCESS;
}
@@ -300,7 +415,7 @@
   xmlNodePtr child = cur->xmlChildrenNode;
   xmlChar *bonds, *conname;
   char *b;
   int idx;
   int idx, polyidx;
   char *token[2];
   while (child != NULL) {
      conname=xmlGetProp(child, (xmlChar *)"Name");
@@ -311,7 +426,19 @@
         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->npoly && vesicle->tape->nmono && (vesicle->tape->nmono-1)==(idx-3*(vesicle->vlist->n-2))%(vesicle->tape->nmono)
                  && idx<(3*vesicle->vlist->n-2+vesicle->tape->nmono*vesicle->tape->npoly+vesicle->tape->npoly)){
                  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++;
@@ -321,7 +448,7 @@
      xmlFree(conname);
      child=child->next;
   }
   fprintf(stderr,"Bond data j=%d\n",idx);	
   //fprintf(stderr,"Bond data j=%d\n",idx);	
   return TS_SUCCESS;
}