Trisurf Monte Carlo simulator
Samo Penic
2019-04-23 13f45e61241e43d709df10228b946ed9870e8ebb
Fixing the vesicle 123 and neighbours just for a test
3 files modified
21 ■■■■■ changed files
src/general.h 1 ●●●● patch | view | raw | blame | history
src/main.c 19 ●●●●● patch | view | raw | blame | history
src/vertexmove.c 1 ●●●● patch | view | raw | blame | history
src/general.h
@@ -158,6 +158,7 @@
        ts_double solAngle;
        struct ts_poly *grafted_poly;
        struct ts_cluster *cluster;
    ts_uint fixed;
};
typedef struct ts_vertex ts_vertex;
src/main.c
@@ -131,6 +131,25 @@
//    exit(1);
            //write_vertex_xml_file(vesicle,1000);
    //fix some vertices on mesh. Don't allow them to move.
    ts_uint i,j;
    ts_vertex *vtx;
       for(i=0;i<vesicle->vlist->n;i++){
               if(vesicle->vlist->vtx[i]->idx==123){
                       vtx=vesicle->vlist->vtx[i];
                       vtx->fixed=1;
                       for(j=0;j<vtx->neigh_no;j++){
                               vtx->neigh[j]->fixed=1;
                       }
               }
       }
    run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration);
    write_master_xml_file(command_line_args.output_fullfilename);
    write_dout_fcompat_file(vesicle,"dout");
src/vertexmove.c
@@ -24,6 +24,7 @@
    ts_double delta_energy, delta_energy_cv,oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0;
    ts_double costheta,sintheta,phi,r;
    //This will hold all the information of vtx and its neighbours
    if(vtx->fixed) return TS_FAIL;
    ts_vertex backupvtx[20], *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
    memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));