Trisurf Monte Carlo simulator
Samo Penic
2013-11-27 0652ee2715994b48a9bbfd1132bf0b65ad206289
src/bondflip.c
@@ -13,6 +13,7 @@
#include<stdio.h>
ts_bool single_bondflip_timestep(ts_vesicle *vesicle, ts_bond *bond, ts_double *rn){
   return TS_SUCCESS;
/*c  Vertex and triangle (lm and lp) indexing for bond flip:
c      +----- k-------+              +----- k ------+
c      |lm1 / | \ lp1 |              |lm1 /   \ lp1 |
@@ -83,7 +84,7 @@
//  for(i=0;i<kp->neigh_no;i++) oldenergy+=kp->neigh[i]->xk*kp->neigh[i]->energy;
//  for(i=0;i<km->neigh_no;i++) oldenergy+=km->neigh[i]->xk*km->neigh[i]->energy;
//  for(i=0;i<it->neigh_no;i++) oldenergy+=it->neigh[i]->xk*it->neigh[i]->energy;
/*
fprintf(stderr,"*** Naslov k=%ld\n",(long)k);
fprintf(stderr,"*** Naslov it=%ld\n",(long)it);
fprintf(stderr,"*** Naslov km=%ld\n",(long)km);
@@ -100,10 +101,10 @@
    fprintf(stderr,"kp sosed=%ld\n",(long)kp->neigh[i]);
    fprintf(stderr,"I WAS HERE! Before bondflip!\n");
*/
//    fprintf(stderr,"I WAS HERE! Before bondflip!\n");
    ts_flip_bond(k,it,km,kp, bond);
    fprintf(stderr,"I WAS HERE! Bondflip successful!\n");
//    fprintf(stderr,"I WAS HERE! Bondflip successful!\n");
/* Calculating the new energy */
  delta_energy=0;
@@ -233,7 +234,7 @@
*/
if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999);
/*
//DEBUG TESTING
fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n");
fprintf(stderr,"--- Naslov lm=%ld",(long)lm);
@@ -252,7 +253,7 @@
for(i=0;i<lp->neigh_no;i++)
    fprintf(stderr,"lp sosed=%ld\n",(long)lp->neigh[i]);
// END DEBUG TESTING
*/
/*
// DEBUG TESTING!
@@ -270,25 +271,25 @@
// 2. step. We change the triangle vertices... (actual bond flip)
    for(i=0;i<3;i++) if(lm->vertex[i]== it) lm->vertex[i]= kp;
    for(i=0;i<3;i++) if(lp->vertex[i]== k) lp->vertex[i]= km;
fprintf(stderr,"2. step: actual bondflip made\n");
//fprintf(stderr,"2. step: actual bondflip made\n");
// 2a. step. If any changes in triangle calculations must be done, do it here!
//   * normals are recalculated here
    triangle_normal_vector(lp);
    triangle_normal_vector(lm);
fprintf(stderr,"2a. step: triangle normals recalculated\n");
//fprintf(stderr,"2a. step: triangle normals recalculated\n");
// 3. step. Correct neighbours in vertex_list
            vtx_remove_neighbour(k,it);
//            vtx_remove_neighbour(it,k);
fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n");
//fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n");
    
            //Tukaj pa nastopi tezava... Kam dodati soseda?
            vtx_insert_neighbour(km,kp,k);
            vtx_insert_neighbour(kp,km,it);
//            vertex_add_neighbour(km,kp); //pazi na vrstni red.
//            vertex_add_neighbour(kp,km);
fprintf(stderr,"3. step: vertex neighbours corrected\n");
//fprintf(stderr,"3. step: vertex neighbours corrected\n");
// 3a. step. If any changes to ts_vertex, do it here!
//   bond_length calculatons not required for it is done in energy.c
@@ -302,7 +303,7 @@
// 5. step. Correct neighbouring triangles 
   
    triangle_remove_neighbour(lp,lp1);
   // fprintf(stderr,".\n");
  //  fprintf(stderr,".\n");
    triangle_remove_neighbour(lp1,lp);
  //  fprintf(stderr,".\n");
    triangle_remove_neighbour(lm,lm2);