From 20ae8328e6eb4b99c8e9c306ab6e09ac4922f395 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 30 Nov 2013 10:50:54 +0000 Subject: [PATCH] step in rewritting --- src/io.c | 10 ++-- src/bondflip.c | 41 +++++++++++--------- src/energy.c | 12 +++--- 3 files changed, 33 insertions(+), 30 deletions(-) diff --git a/src/bondflip.c b/src/bondflip.c index 478027d..17a1977 100644 --- a/src/bondflip.c +++ b/src/bondflip.c @@ -34,27 +34,27 @@ ts_vertex *kp,*km; - if(it->neigh_no< 3) return TS_FAIL; - if(k->neigh_no< 3) return TS_FAIL; + if(it->neigh->n< 3) return TS_FAIL; + if(k->neigh->n< 3) return TS_FAIL; if(k==NULL || it==NULL){ fatal("In bondflip, number of neighbours of k or it is less than 3!",999); } nei=0; - for(i=0;i<it->neigh_no;i++){ // Finds the nn of it, that is k - if(it->neigh[i]==k){ + for(i=0;i<it->neigh->n;i++){ // Finds the nn of it, that is k + if(it->neigh->vtx[i]==k){ nei=i; break; } } neip=nei+1; // I don't like it.. Smells like I must have it in correct order neim=nei-1; - if(neip>=it->neigh_no) neip=0; - if((ts_int)neim<0) neim=it->neigh_no-1; /* casting is essential... If not + if(neip>=it->neigh->n) neip=0; + if((ts_int)neim<0) neim=it->neigh->n-1; /* casting is essential... If not there the neim is never <0 !!! */ // fprintf(stderr,"The numbers are: %u %u\n",neip, neim); - km=it->neigh[neim]; // We located km and kp - kp=it->neigh[neip]; + km=it->neigh->vtx[neim]; // We located km and kp + kp=it->neigh->vtx[neip]; if(km==NULL || kp==NULL){ fatal("In bondflip, cannot determine km and kp!",999); @@ -64,8 +64,8 @@ /* test if the membrane is wrapped too much, so that kp is nearest neighbour of * km. If it is true, then don't flip! */ - for(i=0;i<km->neigh_no;i++){ - if(km->neigh[i] == kp) return TS_FAIL; + for(i=0;i<km->neigh->n;i++){ + if(km->neigh->vtx[i] == kp) return TS_FAIL; } // fprintf(stderr,"Membrane didn't wrap too much.. Continue.\n"); /* if bond would be too long, return... */ @@ -107,10 +107,10 @@ /* Calculating the new energy */ delta_energy=0; - for(i=0;i<k->neigh_no;i++) energy_vertex(k->neigh[i]); - for(i=0;i<kp->neigh_no;i++) energy_vertex(kp->neigh[i]); - for(i=0;i<km->neigh_no;i++) energy_vertex(km->neigh[i]); - for(i=0;i<it->neigh_no;i++) energy_vertex(it->neigh[i]); + for(i=0;i<k->neigh->n;i++) energy_vertex(k->neigh->vtx[i]); + for(i=0;i<kp->neigh->n;i++) energy_vertex(kp->neigh->vtx[i]); + for(i=0;i<km->neigh->n;i++) energy_vertex(km->neigh->vtx[i]); + for(i=0;i<it->neigh->n;i++) energy_vertex(it->neigh->vtx[i]); delta_energy+=k->xk* k->energy; delta_energy+=kp->xk* kp->energy; delta_energy+=km->xk* km->energy; @@ -279,15 +279,18 @@ // 3. step. Correct neighbours in vertex_list - vtx_remove_neighbour(k,it); + vertex_list_remove_vtx(k->neigh, it); + vertex_list_remove_vtx(it->neigh, k); + //vtx_remove_neighbour(k,it); // vtx_remove_neighbour(it,k); //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); + +// vtx_insert_neighbour(km,kp,k); +// vtx_insert_neighbour(kp,km,it); + vtx_add_neighbour(km,kp); //pazi na vrstni red. + vtx_add_neighbour(kp,km); //fprintf(stderr,"3. step: vertex neighbours corrected\n"); // 3a. step. If any changes to ts_vertex, do it here! diff --git a/src/energy.c b/src/energy.c index abbb8e7..a11dce8 100644 --- a/src/energy.c +++ b/src/energy.c @@ -31,14 +31,14 @@ ts_double s=0.0,xh=0.0,yh=0.0,zh=0.0,txn=0.0,tyn=0.0,tzn=0.0; ts_double x1,x2,x3,ctp,ctm,tot,xlen; ts_double h,ht; - for(jj=1; jj<=vtx->neigh_no;jj++){ + for(jj=1; jj<=vtx->neigh->n;jj++){ jjp=jj+1; - if(jjp>vtx->neigh_no) jjp=1; + if(jjp>vtx->neigh->n) jjp=1; jjm=jj-1; - if(jjm<1) jjm=vtx->neigh_no; - j=vtx->neigh[jj-1]; - jp=vtx->neigh[jjp-1]; - jm=vtx->neigh[jjm-1]; + if(jjm<1) jjm=vtx->neigh->n; + j=vtx->neigh->vtx[jj-1]; + jp=vtx->neigh->vtx[jjp-1]; + jm=vtx->neigh->vtx[jjm-1]; // printf("tristar_no=%u, neigh_no=%u, jj=%u\n",data->tristar_no,data->neigh_no,jj); jt=vtx->tristar[jj-1]; x1=vtx_distance_sq(vtx,jp); //shouldn't be zero! diff --git a/src/io.c b/src/io.c index 65fff4f..f35b57d 100644 --- a/src/io.c +++ b/src/io.c @@ -59,9 +59,9 @@ for(i=0;i<vlist->n;i++){ fprintf(fh," %.17E\t%.17E\t%.17E\t%u\n",vlist->vtx[i]->x, vlist->vtx[i]->y, vlist->vtx[i]->z, - vlist->vtx[i]->neigh_no); - for(j=0;j<vlist->vtx[i]->neigh_no;j++){ - fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh[j]->idx)); + vlist->vtx[i]->neigh->n); + for(j=0;j<vlist->vtx[i]->neigh->n;j++){ + fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh->vtx[j]->idx)); //-vlist->vtx+1)); } fprintf(fh,"\n"); @@ -107,11 +107,11 @@ fprintf(fh," %.17E\t%.17E\t%.17E\t%.17E\t%.17E\t%u\n", vlist->vtx[i]->xk,vlist->vtx[i]->c,vlist->vtx[i]->energy, vlist->vtx[i]->energy_h, vlist->vtx[i]->curvature, 0); - for(j=0;j<vlist->vtx[i]->neigh_no;j++){ + for(j=0;j<vlist->vtx[i]->neigh->n;j++){ fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length_dual); } fprintf(fh,"\n"); - for(j=0;j<vlist->vtx[i]->neigh_no;j++){ + for(j=0;j<vlist->vtx[i]->neigh->n;j++){ fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length); } fprintf(fh,"\n"); -- Gitblit v1.9.3