#include<stdlib.h>
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#include<math.h>
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#include "general.h"
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#include "vertex.h"
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#include "bond.h"
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#include "triangle.h"
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#include "vesicle.h"
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#include "energy.h"
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#include "timestep.h"
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#include "cell.h"
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#include "bondflip.h"
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//#include "io.h"
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#include<stdio.h>
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ts_bool single_bondflip_timestep(ts_vesicle *vesicle, ts_bond *bond, ts_double *rn){
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/*c Vertex and triangle (lm and lp) indexing for bond flip:
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c +----- k-------+ +----- k ------+
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c |lm1 / | \ lp1 | |lm1 / \ lp1 |
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c | / | \ | | / \ |
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c |/ | \ | FLIP |/ lm \ |
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c km lm | lp kp ---> km ---------- kp
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c |\ | / | |\ lp / |
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c | \ | / | | \ / |
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c |lm2 \ | / lp2 | |lm2 \ / lp2 |
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c +------it------+ +----- it -----+
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c
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*/
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ts_vertex *it=bond->vtx1;
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ts_vertex *k=bond->vtx2;
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ts_uint nei,neip,neim;
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ts_uint i; //j;
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ts_double oldenergy, delta_energy;
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// ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lp2=NULL, *lm1=NULL, *lm2=NULL;
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ts_vertex *kp,*km;
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if(it->neigh_no< 3) return TS_FAIL;
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if(k->neigh_no< 3) return TS_FAIL;
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if(k==NULL || it==NULL){
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fatal("In bondflip, number of neighbours of k or it is less than 3!",999);
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}
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nei=0;
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for(i=0;i<it->neigh_no;i++){ // Finds the nn of it, that is k
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if(it->neigh[i]==k){
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nei=i;
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break;
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}
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}
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neip=nei+1; // I don't like it.. Smells like I must have it in correct order
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neim=nei-1;
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if(neip>=it->neigh_no) neip=0;
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if((ts_int)neim<0) neim=it->neigh_no-1; /* casting is essential... If not
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there the neim is never <0 !!! */
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// fprintf(stderr,"The numbers are: %u %u\n",neip, neim);
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km=it->neigh[neim]; // We located km and kp
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kp=it->neigh[neip];
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if(km==NULL || kp==NULL){
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fatal("In bondflip, cannot determine km and kp!",999);
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}
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// fprintf(stderr,"I WAS HERE! after the 4 vertices are known!\n");
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/* test if the membrane is wrapped too much, so that kp is nearest neighbour of
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* km. If it is true, then don't flip! */
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for(i=0;i<km->neigh_no;i++){
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if(km->neigh[i] == kp) return TS_FAIL;
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}
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// fprintf(stderr,"Membrane didn't wrap too much.. Continue.\n");
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/* if bond would be too long, return... */
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if(vtx_distance_sq(km,kp) > vesicle->dmax ) return TS_FAIL;
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// fprintf(stderr,"Bond will not be too long.. Continue.\n");
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/* we make a bond flip. this is different than in original fortran */
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// 0. step. Get memory prior the flip
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oldenergy=0;
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oldenergy+=k->xk* k->energy;
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oldenergy+=kp->xk* kp->energy;
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oldenergy+=km->xk* km->energy;
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oldenergy+=it->xk* it->energy;
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// for(i=0;i<k->neigh_no;i++) oldenergy+=k->neigh[i]->xk*k->neigh[i]->energy;
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// for(i=0;i<kp->neigh_no;i++) oldenergy+=kp->neigh[i]->xk*kp->neigh[i]->energy;
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// for(i=0;i<km->neigh_no;i++) oldenergy+=km->neigh[i]->xk*km->neigh[i]->energy;
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// for(i=0;i<it->neigh_no;i++) oldenergy+=it->neigh[i]->xk*it->neigh[i]->energy;
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/*
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fprintf(stderr,"*** Naslov k=%ld\n",(long)k);
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fprintf(stderr,"*** Naslov it=%ld\n",(long)it);
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fprintf(stderr,"*** Naslov km=%ld\n",(long)km);
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fprintf(stderr,"*** Naslov kp=%ld\n",(long)kp);
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for(i=0;i<k->neigh_no;i++)
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fprintf(stderr,"k sosed=%ld\n",(long)k->neigh[i]);
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for(i=0;i<it->neigh_no;i++)
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fprintf(stderr,"it sosed=%ld\n",(long)it->neigh[i]);
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for(i=0;i<km->neigh_no;i++)
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fprintf(stderr,"km sosed=%ld\n",(long)km->neigh[i]);
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for(i=0;i<kp->neigh_no;i++)
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fprintf(stderr,"kp sosed=%ld\n",(long)kp->neigh[i]);
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*/
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// fprintf(stderr,"I WAS HERE! Before bondflip!\n");
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ts_flip_bond(k,it,km,kp, bond);
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// fprintf(stderr,"I WAS HERE! Bondflip successful!\n");
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/* Calculating the new energy */
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delta_energy=0;
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for(i=0;i<k->neigh_no;i++) energy_vertex(k->neigh[i]);
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for(i=0;i<kp->neigh_no;i++) energy_vertex(kp->neigh[i]);
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for(i=0;i<km->neigh_no;i++) energy_vertex(km->neigh[i]);
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for(i=0;i<it->neigh_no;i++) energy_vertex(it->neigh[i]);
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delta_energy+=k->xk* k->energy;
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delta_energy+=kp->xk* kp->energy;
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delta_energy+=km->xk* km->energy;
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delta_energy+=it->xk* it->energy;
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// for(i=0;i<k->neigh_no;i++) delta_energy+=k->neigh[i]->xk*k->neigh[i]->energy;
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// for(i=0;i<kp->neigh_no;i++) delta_energy+=kp->neigh[i]->xk*kp->neigh[i]->energy;
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// for(i=0;i<km->neigh_no;i++) delta_energy+=km->neigh[i]->xk*km->neigh[i]->energy;
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// for(i=0;i<it->neigh_no;i++) delta_energy+=it->neigh[i]->xk*it->neigh[i]->energy;
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delta_energy-=oldenergy;
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// fprintf(stderr,"I WAS HERE! Got energy!\n");
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/* MONTE CARLO */
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if(delta_energy>=0){
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#ifdef TS_DOUBLE_DOUBLE
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if(exp(-delta_energy)< drand48() )
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#endif
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#ifdef TS_DOUBLE_FLOAT
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if(expf(-delta_energy)< (ts_float)drand48())
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#endif
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#ifdef TS_DOUBLE_LONGDOUBLE
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if(expl(-delta_energy)< (ts_ldouble)drand48())
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#endif
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{
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//not accepted, reverting changes
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// fprintf(stderr,"Failed to move, due to MC\n");
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// ts_flip_bond(km,kp,it,k, bond);
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ts_flip_bond(kp,km,k,it, bond);
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/*
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fprintf(stderr,"*** Naslov k=%d\n",k);
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fprintf(stderr,"*** Naslov it=%d\n",it);
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fprintf(stderr,"*** Naslov km=%d\n",km);
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fprintf(stderr,"*** Naslov kp=%d\n",kp);
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for(i=0;i<k->neigh_no;i++)
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fprintf(stderr,"k sosed=%d\n",k->neigh[i]);
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for(i=0;i<it->neigh_no;i++)
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fprintf(stderr,"it sosed=%d\n",it->neigh[i]);
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for(i=0;i<km->neigh_no;i++)
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fprintf(stderr,"km sosed=%d\n",km->neigh[i]);
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for(i=0;i<kp->neigh_no;i++)
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fprintf(stderr,"kp sosed=%d\n",kp->neigh[i]);
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*/
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// fprintf(stderr,"Reverted condition!\n");
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return TS_FAIL;
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}
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}
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// fprintf(stderr,"Success\n");
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/* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
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return TS_SUCCESS;
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}
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ts_bool ts_flip_bond(ts_vertex *k,ts_vertex *it,ts_vertex *km, ts_vertex *kp,
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ts_bond *bond){
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ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lm2=NULL;
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ts_uint i,j; //lmidx, lpidx;
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if(k==NULL || it==NULL || km==NULL || kp==NULL){
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fatal("ts_flip_bond: You called me with invalid pointers to vertices",999);
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}
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// 1. step. We find lm and lp from k->tristar !
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for(i=0;i<it->tristar_no;i++){
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for(j=0;j<k->tristar_no;j++){
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if((it->tristar[i] == k->tristar[j])){ //ce gre za skupen trikotnik
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if((it->tristar[i]->vertex[0] == km || it->tristar[i]->vertex[1]
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== km || it->tristar[i]->vertex[2]== km )){
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lm=it->tristar[i];
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// lmidx=i;
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}
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else
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{
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lp=it->tristar[i];
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// lpidx=i;
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}
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}
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}
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}
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if(lm==NULL || lp==NULL) fatal("ts_flip_bond: Cannot find triangles lm and lp!",999);
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//we look for important triangles lp1 and lm2.
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for(i=0;i<k->tristar_no;i++){
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for(j=0;j<kp->tristar_no;j++){
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if((k->tristar[i] == kp->tristar[j]) && k->tristar[i]!=lp){ //ce gre za skupen trikotnik
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lp1=k->tristar[i];
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}
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}
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}
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for(i=0;i<it->tristar_no;i++){
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for(j=0;j<km->tristar_no;j++){
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if((it->tristar[i] == km->tristar[j]) && it->tristar[i]!=lm){ //ce gre za skupen trikotnik
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lm2=it->tristar[i];
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}
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}
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}
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/*
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// DEBUG TESTING!
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fprintf(stderr,"*** Naslov k=%d\n",k);
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fprintf(stderr,"*** Naslov it=%d\n",it);
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fprintf(stderr,"*** Naslov km=%d\n",km);
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fprintf(stderr,"*** Naslov kp=%d\n",kp);
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for(i=0;i<k->neigh_no;i++)
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fprintf(stderr,"k sosed=%d\n",k->neigh[i]);
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for(i=0;i<it->neigh_no;i++)
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fprintf(stderr,"it sosed=%d\n",it->neigh[i]);
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// END DEBUG TESTING!
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*/
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if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999);
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/*
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//DEBUG TESTING
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fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n");
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fprintf(stderr,"--- Naslov lm=%ld",(long)lm);
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fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lm->vertex[0],(long)lm->vertex[1], (long)lm->vertex[2]);
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fprintf(stderr,"--- Naslov lp=%ld",(long)lp);
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fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lp->vertex[0],(long)lp->vertex[1], (long)lp->vertex[2]);
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fprintf(stderr,"--- Naslov lm2=%ld",(long)lm2);
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fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lm2->vertex[0],(long)lm2->vertex[1], (long)lm2->vertex[2]);
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fprintf(stderr,"--- Naslov lp1=%ld",(long)lp1);
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fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lp1->vertex[0],(long)lp1->vertex[1], (long)lp1->vertex[2]);
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for(i=0;i<lm->neigh_no;i++)
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fprintf(stderr,"lm sosed=%ld\n",(long)lm->neigh[i]);
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for(i=0;i<lp->neigh_no;i++)
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fprintf(stderr,"lp sosed=%ld\n",(long)lp->neigh[i]);
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// END DEBUG TESTING
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*/
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/*
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// DEBUG TESTING!
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for(i=0;i<3;i++){
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if(lp1->neigh[i]==lp) fprintf(stderr,"Nasel sem par lp1->lp\n");
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if(lp->neigh[i]==lp1) fprintf(stderr,"Nasel sem par lp->lp1\n");
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if(lm2->neigh[i]==lm) fprintf(stderr,"Nasel sem par lm2->lm\n");
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if(lm->neigh[i]==lm2) fprintf(stderr,"Nasel sem par lm->lm2\n");
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}
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// END DEBUG TESTING!
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*/
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// 2. step. We change the triangle vertices... (actual bond flip)
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for(i=0;i<3;i++) if(lm->vertex[i]== it) lm->vertex[i]= kp;
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for(i=0;i<3;i++) if(lp->vertex[i]== k) lp->vertex[i]= km;
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//fprintf(stderr,"2. step: actual bondflip made\n");
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// 2a. step. If any changes in triangle calculations must be done, do it here!
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// * normals are recalculated here
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triangle_normal_vector(lp);
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triangle_normal_vector(lm);
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//fprintf(stderr,"2a. step: triangle normals recalculated\n");
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// 3. step. Correct neighbours in vertex_list
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vtx_remove_neighbour(k,it);
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// vtx_remove_neighbour(it,k);
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//fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n");
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//Tukaj pa nastopi tezava... Kam dodati soseda?
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vtx_insert_neighbour(km,kp,k);
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vtx_insert_neighbour(kp,km,it);
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// vertex_add_neighbour(km,kp); //pazi na vrstni red.
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// vertex_add_neighbour(kp,km);
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//fprintf(stderr,"3. step: vertex neighbours corrected\n");
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// 3a. step. If any changes to ts_vertex, do it here!
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// bond_length calculatons not required for it is done in energy.c
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// 4. step. Correct bond_list (don't know why I still have it!)
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bond->vtx1=km;
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bond->vtx2=kp;
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//fprintf(stderr,"4. step: bondlist corrected\n");
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// 5. step. Correct neighbouring triangles
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triangle_remove_neighbour(lp,lp1);
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// fprintf(stderr,".\n");
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triangle_remove_neighbour(lp1,lp);
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// fprintf(stderr,".\n");
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triangle_remove_neighbour(lm,lm2);
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// fprintf(stderr,".\n");
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triangle_remove_neighbour(lm2,lm);
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triangle_add_neighbour(lm,lp1);
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triangle_add_neighbour(lp1,lm);
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triangle_add_neighbour(lp,lm2); //Vrstni red?!
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triangle_add_neighbour(lm2,lp);
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//fprintf(stderr,"5. step: triangle neigbours corrected\n");
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// 6. step. Correct tristar for vertices km, kp, k and it
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vertex_add_tristar(km,lp); // Preveri vrstni red!
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vertex_add_tristar(kp,lm);
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vtx_remove_tristar(it,lm);
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vtx_remove_tristar(k,lp);
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//fprintf(stderr,"6. step: tristar corrected\n");
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/*
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//DEBUG TESTING
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fprintf(stderr,"--- Naslov lm=%d",lm);
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fprintf(stderr," vtxs(%d, %d, %d)\n",lm->vertex[0],lm->vertex[1], lm->vertex[2]);
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fprintf(stderr,"--- Naslov lp=%d",lp);
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fprintf(stderr," vtxs(%d, %d, %d)\n",lp->vertex[0],lp->vertex[1], lp->vertex[2]);
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fprintf(stderr,"--- Naslov lm2=%d",lm2);
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fprintf(stderr," vtxs(%d, %d, %d)\n",lm2->vertex[0],lm2->vertex[1], lm2->vertex[2]);
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fprintf(stderr,"--- Naslov lp1=%d",lp1);
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fprintf(stderr," vtxs(%d, %d, %d)\n",lp1->vertex[0],lp1->vertex[1], lp1->vertex[2]);
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for(i=0;i<lm->neigh_no;i++)
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fprintf(stderr,"lm sosed=%d\n",lm->neigh[i]);
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for(i=0;i<lp->neigh_no;i++)
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fprintf(stderr,"lp sosed=%d\n",lp->neigh[i]);
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// END DEBUG TESTING
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*/
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energy_vertex(k);
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energy_vertex(kp);
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energy_vertex(km);
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energy_vertex(it);
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// END modifications to data structure!
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return TS_SUCCESS;
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}
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