From aad5008716b9f53c40233a8d891bea82d1b3e5f3 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Wed, 18 May 2016 13:58:50 +0000 Subject: [PATCH] Improved tsmeasure. Found a nasty bug in trisurf regarding snapshot accuracy. Fixed it. --- src/frame.c | 89 ++++++++++++++++++++++++++++++-------------- 1 files changed, 60 insertions(+), 29 deletions(-) diff --git a/src/frame.c b/src/frame.c index a578188..b29d3e3 100644 --- a/src/frame.c +++ b/src/frame.c @@ -1,56 +1,87 @@ +/* vim: set ts=4 sts=4 sw=4 noet : */ #include<stdlib.h> #include "general.h" #include "cell.h" #include "frame.h" + + +#include "triangle.h" ts_bool centermass(ts_vesicle *vesicle){ - ts_uint i, n=vesicle->vlist->n; + ts_uint i,j, n=vesicle->vlist->n; ts_vertex **vtx=vesicle->vlist->vtx; vesicle->cm[0]=0; vesicle->cm[1]=0; vesicle->cm[2]=0; for(i=0;i<n;i++){ - vesicle->cm[0]+=vtx[i]->data->x; - vesicle->cm[1]+=vtx[i]->data->y; - vesicle->cm[2]+=vtx[i]->data->z; + vesicle->cm[0]+=vtx[i]->x; + vesicle->cm[1]+=vtx[i]->y; + vesicle->cm[2]+=vtx[i]->z; } - vesicle->cm[0]/=(float)n; - vesicle->cm[1]/=(float)n; - vesicle->cm[2]/=(float)n; + vesicle->cm[0]/=(ts_float)n; + vesicle->cm[1]/=(ts_float)n; + vesicle->cm[2]/=(ts_float)n; + + for(i=0;i<n;i++){ + vtx[i]->x-=vesicle->cm[0]; + vtx[i]->y-=vesicle->cm[1]; + vtx[i]->z-=vesicle->cm[2]; + } +//move polymers for the same vector as we moved vesicle + for(i=0;i<vesicle->poly_list->n;i++){ + for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ + vesicle->poly_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0]; + vesicle->poly_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1]; + vesicle->poly_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2]; + } + } +//move filaments for the same vector as we moved vesicle + for(i=0;i<vesicle->filament_list->n;i++){ + for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ + vesicle->filament_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0]; + vesicle->filament_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1]; + vesicle->filament_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2]; + } + } + + vesicle->cm[0]=0.0; + vesicle->cm[1]=0.0; + vesicle->cm[2]=0.0; + + for(i=0;i<vesicle->tlist->n;i++){ + triangle_normal_vector(vesicle->tlist->tria[i]); + } + + return TS_SUCCESS; } ts_bool cell_occupation(ts_vesicle *vesicle){ - ts_uint i,cellidx, n=vesicle->vlist->n; - ts_double shift; - ts_double dcell; - shift=(ts_double) vesicle->clist->ncmax[0]/2; - dcell=1.0/(1.0 + vesicle->stepsize); + ts_uint i,j,cellidx, n=vesicle->vlist->n; cell_list_cell_occupation_clear(vesicle->clist); for(i=0;i<n;i++){ - cellidx=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]); - vesicle->vlist->vtx[i]->data->cell=vesicle->clist->cell[cellidx]; +// already done in cell_add_vertex +// vesicle->vlist->vtx[i]->cell=vesicle->clist->cell[cellidx]; cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->vlist->vtx[i]); - - // if(ncx > vesicle->clist.ncmax[0]) vesicle->clist.ncmax[0]=ncx; - // if(ncy > vesicle->clist.ncmax[1]) vesicle->clist.ncmax[1]=ncy; - // if(ncz > vesicle->clist.ncmax[2]) vesicle->clist.ncmax[2]=ncz; } - -/* This was already done in previous for loop.... Have I gained some time? - - - for(i=0;i<vesicle->clist.ncmax[0]*vesicle->clist.ncmax[1]*vesicle->clist.ncmax[2];i++){ - vesicle->clist.cell[i].nvertex=0; - for(j=0;j<vesicle->vlist.n;j++){ - //add_vertextocell; - //add_vertextomonomer; - } +//Add all polymers to cells + for(i=0;i<vesicle->poly_list->n;i++){ + for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ + cellidx=vertex_self_avoidance(vesicle, vesicle->poly_list->poly[i]->vlist->vtx[j]); + cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->poly_list->poly[i]->vlist->vtx[j]); + } } +//Add all filaments to cells + for(i=0;i<vesicle->filament_list->n;i++){ + for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ + cellidx=vertex_self_avoidance(vesicle, vesicle->filament_list->poly[i]->vlist->vtx[j]); + cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->filament_list->poly[i]->vlist->vtx[j]); + } + } + -*/ return TS_SUCCESS; } -- Gitblit v1.9.3