From 250de4d124ea8dc4929a9c334d94fc51018fa53c Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 06 Jul 2016 08:25:54 +0000
Subject: [PATCH] Finished spontaneous force
---
src/io.c | 1 +
src/tape | 7 ++++---
src/energy.c | 27 +++++++++++++++++++++++++++
src/general.h | 1 +
src/energy.h | 2 +-
src/vertexmove.c | 2 ++
6 files changed, 36 insertions(+), 4 deletions(-)
diff --git a/src/energy.c b/src/energy.c
index 0e57e71..7c29c0b 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -207,3 +207,30 @@
}
return TS_SUCCESS;
}
+
+ts_double direct_force_energy(ts_vesicle *vesicle, ts_vertex *vtx, ts_vertex *vtx_old){
+ if(fabs(vtx->c)<1e-15) return 0.0;
+// printf("was here");
+ if(fabs(vesicle->tape->F)<1e-15) return 0.0;
+
+ ts_double norml,ddp=0.0;
+ ts_uint i;
+ ts_double xnorm=0.0,ynorm=0.0,znorm=0.0;
+ /*find normal of the vertex as average normal of all the triangles surrounding it. */
+ for(i=0;i<vtx->tristar_no;i++){
+ xnorm=vtx->tristar[i]->xnorm;
+ ynorm=vtx->tristar[i]->ynorm;
+ znorm=vtx->tristar[i]->znorm;
+ }
+ /*normalize*/
+ norml=sqrt(xnorm*xnorm+ynorm*ynorm+znorm*znorm);
+ xnorm/=norml;
+ ynorm/=norml;
+ znorm/=norml;
+ /*calculate ddp, perpendicular displacement*/
+ ddp=xnorm*(vtx->x-vtx_old->x)+xnorm*(vtx->y-vtx_old->y)+znorm*(vtx->z-vtx_old->z);
+ /*calculate dE*/
+// printf("ddp=%e",ddp);
+ return vesicle->tape->F*ddp;
+
+}
diff --git a/src/energy.h b/src/energy.h
index 4d51b24..1b97fa9 100644
--- a/src/energy.h
+++ b/src/energy.h
@@ -7,5 +7,5 @@
ts_bool sweep_attraction_bond_energy(ts_vesicle *vesicle);
inline ts_bool attraction_bond_energy(ts_bond *bond, ts_double w);
-
+ts_double direct_force_energy(ts_vesicle *vesicle, ts_vertex *vtx, ts_vertex *vtx_old);
#endif
diff --git a/src/general.h b/src/general.h
index 9fefc5b..fa1e669 100644
--- a/src/general.h
+++ b/src/general.h
@@ -287,6 +287,7 @@
long int number_of_vertices_with_c0;
ts_double c0;
ts_double w;
+ ts_double F;
} ts_tape;
diff --git a/src/io.c b/src/io.c
index f82aa7a..57d1ced 100644
--- a/src/io.c
+++ b/src/io.c
@@ -1182,6 +1182,7 @@
CFG_SIMPLE_INT("number_of_vertices_with_c0", &tape->number_of_vertices_with_c0),
CFG_SIMPLE_FLOAT("c0",&tape->c0),
CFG_SIMPLE_FLOAT("w",&tape->w),
+ CFG_SIMPLE_FLOAT("F",&tape->F),
CFG_END()
};
cfg_t *cfg;
diff --git a/src/tape b/src/tape
index 0e4f777..16a5480 100644
--- a/src/tape
+++ b/src/tape
@@ -86,9 +86,10 @@
#NirGov branch only!
#number of vertices with spontaneous curvature (integer)
-number_of_vertices_with_c0=30
+number_of_vertices_with_c0=100
#spontaneous curvature (float)
c0=0.5
#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction)
-w=100.0
-
+w=10.0
+#direct force on vesicles with spontaneous curvature (float)
+F=2.0
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 0b6f50a..2517f69 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -189,6 +189,8 @@
delta_energy+=delta_energy_cv;
// fprintf(stderr,"Denergy after=%e\n",delta_energy);
}
+/* Vertices with spontaneous curvature may have spontaneous force perpendicular to the surface of the vesicle. additional delta energy is calculated in this function */
+ delta_energy+=direct_force_energy(vesicle,vtx,backupvtx);
/* No poly-bond energy for now!
if(vtx->grafted_poly!=NULL){
delta_energy+=
--
Gitblit v1.9.3