From 737e1c8236e7e9b72cf08c5d173e0a307c38600c Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 10 Jul 2012 12:34:47 +0000 Subject: [PATCH] Merge branch 'bondflip' --- src/Makefile.am | 2 src/bondflip.h | 2 src/main.c | 7 +- src/timestep.c | 3 src/vertex.c | 68 +++++++++++++++++++++- src/bondflip.c | 70 ++++++++++++----------- src/triangle.h | 2 src/triangle.c | 3 + src/vertex.h | 3 9 files changed, 114 insertions(+), 46 deletions(-) diff --git a/src/Makefile.am b/src/Makefile.am index 90d92c2..e61ecec 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -1,6 +1,6 @@ trisurfdir=../ trisurf_PROGRAMS = trisurf -trisurf_SOURCES = general.c vertex.c bond.c triangle.c cell.c vesicle.c initial_distribution.c io.c frame.c energy.c timestep.c vertexmove.c main.c +trisurf_SOURCES = general.c vertex.c bond.c triangle.c cell.c vesicle.c initial_distribution.c io.c frame.c energy.c timestep.c vertexmove.c bondflip.c main.c #trisurf_LDFLAGS = -lm -lconfuse shdiscoverdir=../ shdiscover_PROGRAMS= shdiscover diff --git a/src/bondflip.c b/src/bondflip.c index e56cc4e..478027d 100644 --- a/src/bondflip.c +++ b/src/bondflip.c @@ -8,6 +8,7 @@ #include "energy.h" #include "timestep.h" #include "cell.h" +#include "bondflip.h" //#include "io.h" #include<stdio.h> @@ -27,7 +28,7 @@ ts_vertex *it=bond->vtx1; ts_vertex *k=bond->vtx2; ts_uint nei,neip,neim; - ts_uint i,j; + ts_uint i; //j; ts_double oldenergy, delta_energy; // ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lp2=NULL, *lm1=NULL, *lm2=NULL; @@ -39,7 +40,7 @@ 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){ nei=i; @@ -68,7 +69,7 @@ } // fprintf(stderr,"Membrane didn't wrap too much.. Continue.\n"); /* if bond would be too long, return... */ - if(vertex_distance_sq(km,kp) > vesicle->dmax ) return TS_FAIL; + if(vtx_distance_sq(km,kp) > vesicle->dmax ) return TS_FAIL; // fprintf(stderr,"Bond will not be too long.. Continue.\n"); /* we make a bond flip. this is different than in original fortran */ @@ -83,26 +84,26 @@ // 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=%d\n",k); -fprintf(stderr,"*** Naslov it=%d\n",it); -fprintf(stderr,"*** Naslov km=%d\n",km); -fprintf(stderr,"*** Naslov kp=%d\n",kp); +fprintf(stderr,"*** Naslov k=%ld\n",(long)k); +fprintf(stderr,"*** Naslov it=%ld\n",(long)it); +fprintf(stderr,"*** Naslov km=%ld\n",(long)km); +fprintf(stderr,"*** Naslov kp=%ld\n",(long)kp); for(i=0;i<k->neigh_no;i++) - fprintf(stderr,"k sosed=%d\n",k->neigh[i]); + fprintf(stderr,"k sosed=%ld\n",(long)k->neigh[i]); for(i=0;i<it->neigh_no;i++) - fprintf(stderr,"it sosed=%d\n",it->neigh[i]); + fprintf(stderr,"it sosed=%ld\n",(long)it->neigh[i]); for(i=0;i<km->neigh_no;i++) - fprintf(stderr,"km sosed=%d\n",km->neigh[i]); + fprintf(stderr,"km sosed=%ld\n",(long)km->neigh[i]); for(i=0;i<kp->neigh_no;i++) - fprintf(stderr,"kp sosed=%d\n",kp->neigh[i]); + 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; @@ -174,7 +175,7 @@ ts_bond *bond){ ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lm2=NULL; - ts_uint i,j, lmidx, lpidx; + ts_uint i,j; //lmidx, lpidx; if(k==NULL || it==NULL || km==NULL || kp==NULL){ fatal("ts_flip_bond: You called me with invalid pointers to vertices",999); } @@ -232,26 +233,24 @@ */ if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999); - -//fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n"); - /* //DEBUG TESTING -fprintf(stderr,"--- Naslov lm=%d",lm); +fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n"); +fprintf(stderr,"--- Naslov lm=%ld",(long)lm); -fprintf(stderr," vtxs(%d, %d, %d)\n",lm->vertex[0],lm->vertex[1], lm->vertex[2]); -fprintf(stderr,"--- Naslov lp=%d",lp); -fprintf(stderr," vtxs(%d, %d, %d)\n",lp->vertex[0],lp->vertex[1], lp->vertex[2]); -fprintf(stderr,"--- Naslov lm2=%d",lm2); -fprintf(stderr," vtxs(%d, %d, %d)\n",lm2->vertex[0],lm2->vertex[1], lm2->vertex[2]); -fprintf(stderr,"--- Naslov lp1=%d",lp1); -fprintf(stderr," vtxs(%d, %d, %d)\n",lp1->vertex[0],lp1->vertex[1], lp1->vertex[2]); +fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lm->vertex[0],(long)lm->vertex[1], (long)lm->vertex[2]); +fprintf(stderr,"--- Naslov lp=%ld",(long)lp); +fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lp->vertex[0],(long)lp->vertex[1], (long)lp->vertex[2]); +fprintf(stderr,"--- Naslov lm2=%ld",(long)lm2); +fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lm2->vertex[0],(long)lm2->vertex[1], (long)lm2->vertex[2]); +fprintf(stderr,"--- Naslov lp1=%ld",(long)lp1); +fprintf(stderr," vtxs(%ld, %ld, %ld)\n",(long)lp1->vertex[0],(long)lp1->vertex[1], (long)lp1->vertex[2]); for(i=0;i<lm->neigh_no;i++) - fprintf(stderr,"lm sosed=%d\n",lm->neigh[i]); + fprintf(stderr,"lm sosed=%ld\n",(long)lm->neigh[i]); for(i=0;i<lp->neigh_no;i++) - fprintf(stderr,"lp sosed=%d\n",lp->neigh[i]); + fprintf(stderr,"lp sosed=%ld\n",(long)lp->neigh[i]); // END DEBUG TESTING */ /* @@ -276,14 +275,17 @@ // * normals are recalculated here triangle_normal_vector(lp); triangle_normal_vector(lm); +//fprintf(stderr,"2a. step: triangle normals recalculated\n"); // 3. step. Correct neighbours in vertex_list - vertex_remove_neighbour(k,it); - vertex_remove_neighbour(it,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? - vertex_insert_neighbour(km,kp,k); - vertex_insert_neighbour(kp,km,it); + 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"); @@ -300,7 +302,7 @@ // 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); @@ -318,8 +320,8 @@ // 6. step. Correct tristar for vertices km, kp, k and it vertex_add_tristar(km,lp); // Preveri vrstni red! vertex_add_tristar(kp,lm); - vertex_remove_tristar(it,lm); - vertex_remove_tristar(k,lp); + vtx_remove_tristar(it,lm); + vtx_remove_tristar(k,lp); //fprintf(stderr,"6. step: tristar corrected\n"); /* diff --git a/src/bondflip.h b/src/bondflip.h index 6713c31..8d7ee37 100644 --- a/src/bondflip.h +++ b/src/bondflip.h @@ -1,4 +1,4 @@ -#ifdef _H_BONDFLIP +#ifndef _H_BONDFLIP #define _H_BONDFLIP ts_bool single_bondflip_timestep(ts_vesicle *vesicle, ts_bond *bond, ts_double *rn); diff --git a/src/main.c b/src/main.c index f331f12..ca9ed07 100644 --- a/src/main.c +++ b/src/main.c @@ -30,11 +30,12 @@ retval=vtx_add_cneighbour(blist,vlist->vtx[1],vlist->vtx[0]); if(retval==TS_FAIL) printf("1. already a member or vertex is null!\n"); -retval=vtx_add_cneighbour(blist,vlist->vtx[0],vlist->vtx[1]); +retval=vtx_add_neighbour(vlist->vtx[0],vlist->vtx[1]); if(retval==TS_FAIL) printf("2. already a member or vertex is null!\n"); - -retval=vtx_remove_neighbour(vlist->vtx[0],vlist->vtx[1]); +fprintf(stderr,"Was here"); +retval=vtx_remove_neighbour(vlist->vtx[1],vlist->vtx[0]); vtx_add_neighbour(vlist->vtx[0],vlist->vtx[1]); +fprintf(stderr,"Was here too!\n"); vlist->vtx[0]->x=1.0; vlist->vtx[0]->x=1.1; diff --git a/src/timestep.c b/src/timestep.c index 1e1ffff..83e6f9b 100644 --- a/src/timestep.c +++ b/src/timestep.c @@ -5,6 +5,7 @@ #include "general.h" #include "timestep.h" #include "vertexmove.h" +#include "bondflip.h" ts_bool single_timestep(ts_vesicle *vesicle){ ts_bool retval; @@ -23,7 +24,7 @@ rnvec[2]=drand48(); //find a bond and return a pointer to a bond... //call single_bondflip_timestep... -// retval=single_bondflip_timestep(vesicle,&vesicle->blist.bond[i],rnvec); + retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[i],rnvec); } if(retval); diff --git a/src/triangle.c b/src/triangle.c index e051316..dc53487 100644 --- a/src/triangle.c +++ b/src/triangle.c @@ -147,11 +147,13 @@ //fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3); } tria->neigh_no--; +// fprintf(stderr,"*** tria_number=%d\n",tria->neigh_no); tria->neigh=(ts_triangle **)realloc(tria->neigh,tria->neigh_no*sizeof(ts_triangle *)); if(tria->neigh == NULL){ fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100); } /* we repeat the procedure for neighbour */ + j=0; for(i=0;i<ntria->neigh_no;i++){ if(ntria->neigh[i]!=tria){ ntria->neigh[j]=ntria->neigh[i]; @@ -163,6 +165,7 @@ //fatal("In triangle_remove_neighbour: Specified neighbour does not exist for given triangle",3); } ntria->neigh_no--; +// fprintf(stderr,"*** ntria_number=%d\n",ntria->neigh_no); ntria->neigh=(ts_triangle **)realloc(ntria->neigh,ntria->neigh_no*sizeof(ts_triangle *)); if(ntria->neigh == NULL){ fatal("Reallocation of memory failed during removal of vertex neighbour in triangle_remove_neighbour",100); diff --git a/src/triangle.h b/src/triangle.h index a3d8184..a1a0fd0 100644 --- a/src/triangle.h +++ b/src/triangle.h @@ -6,5 +6,5 @@ ts_bool triangle_add_neighbour(ts_triangle *tria, ts_triangle *ntria); ts_bool triangle_normal_vector(ts_triangle *tria); ts_bool triangle_list_free(ts_triangle_list *tlist); - +ts_bool triangle_remove_neighbour(ts_triangle *tria, ts_triangle *ntria); #endif diff --git a/src/vertex.c b/src/vertex.c index 21ad48e..38647aa 100644 --- a/src/vertex.c +++ b/src/vertex.c @@ -74,20 +74,23 @@ /* remove it from the list while shifting remaining neighbours up */ ts_uint i,j=0; for(i=0;i<vtx->neigh_no;i++){ +// fprintf(stderr,"neigh_addr=%ld\n", (long)vtx->neigh[i]); if(vtx->neigh[i]!=nvtx){ vtx->neigh[j]=vtx->neigh[i]; j++; } } +// fprintf(stderr,"remove_neighbour: vtx1_addr=%ld, vtx2_addr=%ld\n",(long)vtx,(long)nvtx); /* resize memory. potentionally time consuming */ vtx->neigh_no--; vtx->neigh=(ts_vertex **)realloc(vtx->neigh,vtx->neigh_no*sizeof(ts_vertex *)); if(vtx->neigh == NULL && vtx->neigh_no!=0) - fatal("Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); - + fatal("(1) Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); +//fprintf(stderr,"first alloc"); /* repeat for the neighbour */ /* find a neighbour */ /* remove it from the list while shifting remaining neighbours up */ + j=0; for(i=0;i<nvtx->neigh_no;i++){ if(nvtx->neigh[i]!=vtx){ nvtx->neigh[j]=nvtx->neigh[i]; @@ -95,10 +98,12 @@ } } /* resize memory. potentionally time consuming. */ +// fprintf(stderr,"Neigbours=%d\n",nvtx->neigh_no); nvtx->neigh_no--; - nvtx->neigh=(ts_vertex **)realloc(nvtx->neigh,nvtx->neigh_no*sizeof(ts_vertex *)); + nvtx->neigh=(ts_vertex **)realloc(nvtx->neigh,nvtx->neigh_no*sizeof(ts_vertex *)); +// fprintf(stderr,"Neigbours=%d\n",nvtx->neigh_no); if(nvtx->neigh == NULL && nvtx->neigh_no!=0) - fatal("Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); + fatal("(2) Reallocation of memory failed during removal of vertex neighbour in vtx_remove_neighbour",100); return TS_SUCCESS; } @@ -110,11 +115,14 @@ bond=bond_add(blist,vtx1,vtx2); if(bond==NULL) return TS_FAIL; vtx1->bond_no++; + vtx2->bond_no++; // vtx2->data->bond_no++; vtx1->bond=(ts_bond **)realloc(vtx1->bond, vtx1->bond_no*sizeof(ts_bond *)); + vtx2->bond=(ts_bond **)realloc(vtx2->bond, vtx2->bond_no*sizeof(ts_bond *)); // vtx2->data->bond=(ts_bond **)realloc(vtx2->data->bond, vtx2->data->bond_no*sizeof(ts_bond *)); vtx1->bond[vtx1->bond_no-1]=bond; + vtx2->bond[vtx2->bond_no-1]=bond; // vtx2->ata->bond[vtx2->data->bond_no-1]=bond; return TS_SUCCESS; } @@ -122,6 +130,7 @@ ts_bool vtx_add_cneighbour(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2){ ts_bool retval; retval=vtx_add_neighbour(vtx1,vtx2); + // retval=vtx_add_neighbour(vtx2,vtx1); if(retval==TS_SUCCESS) retval=vtx_add_bond(blist,vtx1,vtx2); return retval; @@ -207,6 +216,57 @@ } +/* Insert neighbour is a function that is required in bondflip. It inserts a + * neighbour exactly in the right place. */ +inline ts_bool vtx_insert_neighbour(ts_vertex *vtx, ts_vertex *nvtx, ts_vertex *vtxm){ +//nvtx is a vertex that is to be inserted after vtxm! + ts_uint i,j,midx; + vtx->neigh_no++; + if(vtxm==NULL || nvtx==NULL || vtx==NULL) + fatal("vertex_insert_neighbour: one of pointers has been zero.. Cannot proceed.",3); + //We need to reallocate space! The pointer *neight must be zero if not having neighbours jey (if neigh_no was 0 at thime of calling + vtx->neigh=realloc(vtx->neigh,vtx->neigh_no*sizeof(ts_vertex *)); + if(vtx->neigh == NULL){ + fatal("Reallocation of memory failed during insertion of vertex neighbour in vertex_insert_neighbour",3); + } + midx=0; + for(i=0;i<vtx->neigh_no-1;i++) if(vtx->neigh[i]==vtxm) {midx=i; break;} + // fprintf(stderr,"midx=%d, vseh=%d\n",midx,vtx->neigh_no-2); + if(midx==vtx->neigh_no-2) { + vtx->neigh[vtx->neigh_no-1]=nvtx; + } else { + for(j=vtx->neigh_no-2;j>midx;j--) { + vtx->neigh[j+1]=vtx->neigh[j]; +// vtx->bond_length[j+1]=vtx->bond_length[j]; +// vtx->bond_length_dual[j+1]=vtx->bond_length_dual[j]; + } + vtx->neigh[midx+1]=nvtx; + } + return TS_SUCCESS; +} + + +/* vtx remove tristar is required in bondflip. */ +/* TODO: Check whether it is important to keep the numbering of tristar + * elements in some order or not! */ +inline ts_bool vtx_remove_tristar(ts_vertex *vtx, ts_triangle *tristar){ + ts_uint i,j=0; + for(i=0;i<vtx->tristar_no;i++){ + if(vtx->tristar[i]!=tristar){ + vtx->tristar[j]=vtx->tristar[i]; + j++; + } + } + vtx->tristar_no--; + vtx->tristar=realloc(vtx->tristar,vtx->tristar_no*sizeof(ts_triangle *)); + if(vtx->neigh == NULL){ + fatal("Reallocation of memory failed during insertion of vertex neighbour in vertex_add_neighbour",3); + } + return TS_SUCCESS; +} + + + /* ****************************************************************** */ /* ***** New vertex copy operations. Inherently they are slow. ***** */ /* ****************************************************************** */ diff --git a/src/vertex.h b/src/vertex.h index 98efff5..97775d2 100644 --- a/src/vertex.h +++ b/src/vertex.h @@ -24,7 +24,8 @@ ts_bool vtx_set_global_values(ts_vesicle *vesicle); inline ts_double vtx_direct(ts_vertex *vtx1, ts_vertex *vtx2, ts_vertex *vtx3); inline ts_bool vertex_add_tristar(ts_vertex *vtx, ts_triangle *tristarmem); - +inline ts_bool vtx_insert_neighbour(ts_vertex *vtx, ts_vertex *nvtx, ts_vertex *vtxm); +inline ts_bool vtx_remove_tristar(ts_vertex *vtx, ts_triangle *tristar); ts_bool vtx_copy(ts_vertex *cvtx,ts_vertex *ovtx); ts_bool vtx_duplicate(ts_vertex *cvtx, ts_vertex *ovtx); ts_vertex **vtx_neigh_copy(ts_vertex_list *vlist,ts_vertex *ovtx); -- Gitblit v1.9.3