From 460c2a326b332e1b3e03621970a1b48dfb872050 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Mon, 28 Apr 2014 21:19:21 +0000
Subject: [PATCH] Added most important missing files
---
src/constvol.c | 160 +++++++++++++++++++++++++++++++++++++++++++++++++++++
src/constvol.h | 8 ++
2 files changed, 168 insertions(+), 0 deletions(-)
diff --git a/src/constvol.c b/src/constvol.c
new file mode 100644
index 0000000..da07add
--- /dev/null
+++ b/src/constvol.c
@@ -0,0 +1,160 @@
+#include<stdlib.h>
+#include<stdio.h>
+#include<string.h>
+#include<math.h>
+#include "general.h"
+#include "constvol.h"
+#include "triangle.h"
+#include "energy.h"
+#include "vertex.h"
+#include "cell.h"
+
+ts_bool constvolume(ts_vesicle *vesicle, ts_vertex *vtx_avoid, ts_double Vol, ts_double *retEnergy, ts_vertex *vtx_moved, ts_vertex *vtx_backup){
+
+ ts_uint vtxind,i,j;
+ ts_uint Ntries=20;
+ ts_vertex *backupvtx;
+ ts_double Rv, dh, dvol, voldiff, oenergy,delta_energy;
+
+ backupvtx=(ts_vertex *)calloc(sizeof(ts_vertex),10);
+
+ for(i=0;i<Ntries;i++){
+ vtxind=rand() % vesicle->vlist->n;
+ vtx_moved=vesicle->vlist->vtx[vtxind];
+ if(vtx_moved==vtx_avoid) continue;
+
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ if(vtx_moved->neigh[j]==vtx_avoid) continue;
+ }
+
+ memcpy((void *)&backupvtx[0],(void *)vtx_moved,sizeof(ts_vertex));
+ //move vertex in specified direction. first try, test move!
+
+ Rv=sqrt(pow(vtx_moved->x,2)+pow(vtx_moved->y,2)+pow(vtx_moved->z,2));
+ dh=2*Rv*vesicle->dmax/sqrt(3);
+ vtx_moved->x=vtx_moved->x*(1-dh/Rv);
+ vtx_moved->y=vtx_moved->y*(1-dh/Rv);
+ vtx_moved->z=vtx_moved->z*(1-dh/Rv);
+
+ //check for constraints
+ if(constvolConstraintCheck(vesicle, vtx_moved)==TS_FAIL){
+ vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
+ continue;
+ }
+
+ // All checks OK!
+
+ // doing second and final move.
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex));
+ }
+ dvol=0.0;
+ for(j=0;j<vtx_moved->tristar_no;j++){
+ dvol-=vtx_moved->tristar[j]->volume;
+ triangle_normal_vector(vtx_moved->tristar[j]);
+ dvol+=vtx_moved->tristar[j]->volume;
+ }
+
+ voldiff=dvol-Vol;
+
+ if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){
+ //calculate energy, return change in energy...
+ oenergy=vtx_moved->energy;
+ energy_vertex(vtx_moved);
+ delta_energy=vtx_moved->xk*(vtx_moved->energy - oenergy);
+ //the same is done for neighbouring vertices
+ for(i=0;i<vtx_moved->neigh_no;i++){
+ oenergy=vtx_moved->neigh[i]->energy;
+ energy_vertex(vtx_moved->neigh[i]);
+ delta_energy+=vtx_moved->neigh[i]->xk*(vtx_moved->neigh[i]->energy-oenergy);
+ }
+ *retEnergy=delta_energy;
+ vtx_backup=backupvtx;
+ return TS_SUCCESS;
+ }
+ //do it again ;)
+ dh=Vol*dh/dvol;
+ vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
+ vtx_moved->x=vtx_moved->x*(1-dh/Rv);
+ vtx_moved->y=vtx_moved->y*(1-dh/Rv);
+ vtx_moved->z=vtx_moved->z*(1-dh/Rv);
+ //check for constraints
+ if(constvolConstraintCheck(vesicle, vtx_moved)==TS_FAIL){
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ memcpy((void *)vtx_moved->neigh[j],(void *)&backupvtx[j+1],sizeof(ts_vertex));
+ }
+ vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex));
+ continue;
+ }
+
+ voldiff=dvol-Vol;
+ if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){
+ //calculate energy, return change in energy...
+ oenergy=vtx_moved->energy;
+ energy_vertex(vtx_moved);
+ delta_energy=vtx_moved->xk*(vtx_moved->energy - oenergy);
+ //the same is done for neighbouring vertices
+ for(i=0;i<vtx_moved->neigh_no;i++){
+ oenergy=vtx_moved->neigh[i]->energy;
+ energy_vertex(vtx_moved->neigh[i]);
+ delta_energy+=vtx_moved->neigh[i]->xk*(vtx_moved->neigh[i]->energy-oenergy);
+ }
+ *retEnergy=delta_energy;
+ vtx_backup=backupvtx;
+ return TS_SUCCESS;
+ }
+
+
+ }
+ free(backupvtx);
+ return TS_FAIL;
+}
+
+
+ts_bool constvolConstraintCheck(ts_vesicle *vesicle, ts_vertex *vtx){
+ ts_uint i;
+ ts_double dist;
+ ts_uint cellidx;
+ //distance with neighbours check
+ for(i=0;i<vtx->neigh_no;i++){
+ dist=vtx_distance_sq(vtx,vtx->neigh[i]);
+ if(dist<1.0 || dist>vesicle->dmax) {
+ return TS_FAIL;
+ }
+ }
+ // Distance with grafted poly-vertex check:
+ if(vtx->grafted_poly!=NULL){
+ dist=vtx_distance_sq(vtx,vtx->grafted_poly->vlist->vtx[0]);
+ if(dist<1.0 || dist>vesicle->dmax) {
+ return TS_FAIL;
+ }
+ }
+
+ // Nucleus penetration check:
+ if (vtx->x*vtx->x + vtx->y*vtx->y + vtx->z*vtx->z < vesicle->R_nucleus){
+ return TS_FAIL;
+ }
+
+ //self avoidance check with distant vertices
+ cellidx=vertex_self_avoidance(vesicle, vtx);
+ //check occupation number
+ return cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx);
+}
+
+
+
+ts_bool constvolumerestore(ts_vertex *vtx_moved,ts_vertex *vtx_backup){
+ ts_uint j;
+ for(j=0;j<vtx_moved->neigh_no;j++){
+ memcpy((void *)vtx_moved->neigh[j],(void *)&vtx_backup[j+1],sizeof(ts_vertex));
+ }
+ vtx_moved=memcpy((void *)vtx_moved,(void *)&vtx_backup[0],sizeof(ts_vertex));
+
+ return TS_SUCCESS;
+}
+
+ts_bool constvolumeaccept(ts_vertex *vtx_moved, ts_vertex *vtx_backup){
+
+
+ return TS_SUCCESS;
+}
diff --git a/src/constvol.h b/src/constvol.h
new file mode 100644
index 0000000..605daa1
--- /dev/null
+++ b/src/constvol.h
@@ -0,0 +1,8 @@
+#ifndef _H_CONSTVOL
+#define _H_CONSTVOL
+
+ts_bool constvolume(ts_vesicle *vesicle, ts_vertex *vtx_avoid, ts_double Vol, ts_double *retEnergy, ts_vertex *vtx_moved, ts_vertex *vtx_backup);
+ts_bool constvolConstraintCheck(ts_vesicle *vesicle, ts_vertex *vtx);
+ts_bool constvolumerestore(ts_vertex *vtx_moved, ts_vertex *vtx_backup);
+ts_bool constvolumeaccept(ts_vertex *vtx_moved, ts_vertex *vtx_backup);
+#endif
--
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