From 51b4f09bca802c4941700c78c5733ce968ddc7c6 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 27 Feb 2019 22:44:22 +0000
Subject: [PATCH] An attempt of adding hard constraints plugin to the simulator. It seems it does not work yet
---
src/vertexmove.c | 55 +++++++++++--------------------------------------------
1 files changed, 11 insertions(+), 44 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index e74fa74..e62967b 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -9,16 +9,15 @@
#include "energy.h"
#include "timestep.h"
#include "cell.h"
-//#include "io.h"
#include "io.h"
#include<stdio.h>
#include "vertexmove.h"
#include <string.h>
#include "constvol.h"
+#include "plugins.h"
ts_bool single_verticle_timestep(ts_vesicle *vesicle,ts_vertex *vtx,ts_double *rn){
ts_uint i;
- ts_double dist;
ts_bool retval;
ts_uint cellidx;
ts_double delta_energy, delta_energy_cv,oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0;
@@ -26,21 +25,6 @@
//This will hold all the information of vtx and its neighbours
ts_vertex backupvtx[20], *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));
-
- //Some stupid tests for debugging cell occupation!
-/* cellidx=vertex_self_avoidance(vesicle, vtx);
- if(vesicle->clist->cell[cellidx]==vtx->cell){
- fprintf(stderr,"Idx match!\n");
- } else {
- fprintf(stderr,"***** Idx don't match!\n");
- fatal("ENding.",1);
- }
-*/
-
- //temporarly moving the vertex
-// vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
-// vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
-// vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
//random move in a sphere with radius stepsize:
r=vesicle->stepsize*rn[0];
@@ -51,24 +35,6 @@
vtx->y=vtx->y+r*sintheta*sin(phi);
vtx->z=vtx->z+r*costheta;
-
-//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) {
- vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
- 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) {
- vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
- return TS_FAIL;
- }
- }
// TODO: Maybe faster if checks only nucleus-neighboring cells
// Nucleus penetration check:
@@ -97,16 +63,16 @@
}
}
//#undef SQ
-//self avoidance check with distant vertices
- cellidx=vertex_self_avoidance(vesicle, vtx);
- //check occupation number
- retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx);
- if(retval==TS_FAIL){
- vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
- return TS_FAIL;
- }
-
+/* Entry point for plugin vm_hard_constraint() function */
+ for(i=0; i<vesicle->plist->n;i++){
+ retval = vesicle->plist->plugin[i]->function->vm_hard_constraint(vesicle,vtx,&backupvtx[0]);
+ if(retval==TS_FAIL){
+ vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
+ return TS_FAIL;
+ }
+ }
+
//if all the tests are successful, then energy for vtx and neighbours is calculated
for(i=0;i<vtx->neigh_no;i++){
@@ -280,6 +246,7 @@
//accepted
// fprintf(stderr,"MC accepted\n");
// oldcellidx=vertex_self_avoidance(vesicle, &backupvtx[0]);
+ cellidx=vertex_self_avoidance(vesicle, vtx);
if(vtx->cell!=vesicle->clist->cell[cellidx]){
retval=cell_add_vertex(vesicle->clist->cell[cellidx],vtx);
// if(retval==TS_SUCCESS) cell_remove_vertex(vesicle->clist->cell[oldcellidx],vtx);
--
Gitblit v1.9.3