From 201659654a328f84c229d16fe85d8709a4183957 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 19 Oct 2019 15:53:42 +0000
Subject: [PATCH] Fixed most problems, some still persists.
---
src/vertexmove.c | 31 ++++++++++++++++++++++++++++---
1 files changed, 28 insertions(+), 3 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 401dddf..e74fa74 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -88,6 +88,14 @@
}
}
+
+ // plane confinement check whether the new position of vertex will be out of bounds
+ if(vesicle->tape->plane_confinement_switch){
+ if(vtx->z>vesicle->confinement_plane.z_max || vtx->z<vesicle->confinement_plane.z_min){
+ vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
+ return TS_FAIL;
+ }
+ }
//#undef SQ
//self avoidance check with distant vertices
cellidx=vertex_self_avoidance(vesicle, vtx);
@@ -115,10 +123,11 @@
}
//stretching energy 1 of 3
if(vesicle->tape->stretchswitch==1){
- for(i=0;i<vtx->tristar_no;i++) dstretchenergy-=vtx->tristar[i]->energy/3.0;
+ for(i=0;i<vtx->tristar_no;i++) dstretchenergy-=vtx->tristar[i]->energy;
}
delta_energy=0;
-
+
+
// vesicle_volume(vesicle);
// fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
@@ -199,7 +208,7 @@
if(vesicle->tape->stretchswitch==1){
for(i=0;i<vtx->tristar_no;i++){
stretchenergy(vesicle, vtx->tristar[i]);
- dstretchenergy+=vtx->tristar[i]->energy/3.0;
+ dstretchenergy+=vtx->tristar[i]->energy;
}
}
@@ -212,6 +221,22 @@
pow(sqrt(vtx_distance_sq(&backupvtx[0], vtx->grafted_poly->vlist->vtx[0])-1),2)) *vtx->grafted_poly->k;
}
*/
+
+// plane confinement energy due to compressing force
+ if(vesicle->tape->plane_confinement_switch){
+ if(vesicle->confinement_plane.force_switch){
+ //substract old energy
+ if(abs(vesicle->tape->plane_d/2.0-vesicle->confinement_plane.z_max)>1e-10) {
+ delta_energy-=vesicle->tape->plane_F / pow(vesicle->confinement_plane.z_max-backupvtx[0].z,2);
+ delta_energy+=vesicle->tape->plane_F / pow(vesicle->confinement_plane.z_max-vtx->z,2);
+ }
+ if(abs(-vesicle->tape->plane_d/2.0-vesicle->confinement_plane.z_min)>1e-10) {
+ delta_energy-=vesicle->tape->plane_F / pow(vesicle->confinement_plane.z_min-backupvtx[0].z,2);
+ delta_energy+=vesicle->tape->plane_F / pow(vesicle->confinement_plane.z_min-vtx->z,2);
+ }
+ }
+ }
+
// fprintf(stderr, "DE=%f\n",delta_energy);
//MONTE CARLOOOOOOOO
// if(vtx->c!=0.0) printf("DE=%f\n",delta_energy);
--
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