From 6487a03362d35589c286d0660eba123a7ab00535 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 10 May 2021 11:14:04 +0000
Subject: [PATCH] Raj and Yoav session in making multiple protein species
---
src/bondflip.c | 17 +++++++++++++----
1 files changed, 13 insertions(+), 4 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 66c40f7..8eb6da9 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -32,7 +32,7 @@
ts_vertex *k=bond->vtx2;
ts_uint nei,neip,neim;
ts_uint i,j;
- ts_double oldenergy, delta_energy, dvol=0.0, darea=0.0;
+ ts_double oldenergy=0.0, delta_energy=0.0, dvol=0.0, darea=0.0;
ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lm2=NULL;
ts_vertex *kp,*km;
@@ -163,7 +163,7 @@
/* end backup vertex */
/* Save old energy */
- oldenergy=0;
+ oldenergy=0.0;
oldenergy+=k->xk* k->energy;
oldenergy+=kp->xk* kp->energy;
oldenergy+=km->xk* km->energy;
@@ -176,19 +176,24 @@
/* vesicle_volume(vesicle);
fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
*/
-
/* fix data structure for flipped bond */
ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w);
/* Calculating the new energy */
- delta_energy=0;
+ delta_energy=0.0;
delta_energy+=k->xk* k->energy;
delta_energy+=kp->xk* kp->energy;
delta_energy+=km->xk* km->energy;
delta_energy+=it->xk* it->energy;
delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
//Neigbours of k, it, km, kp don't change its energy.
+ if(vesicle->tape->stretchswitch==1){
+ oldenergy+=lm->energy+lp->energy;
+ stretchenergy(vesicle,lm);
+ stretchenergy(vesicle,lp);
+ delta_energy+=lm->energy+lp->energy;
+ }
delta_energy-=oldenergy;
if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){
@@ -334,6 +339,10 @@
// fprintf(stderr,"Restoration complete!!!\n");
// vesicle_volume(vesicle);
// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
+ if(vesicle->tape->stretchswitch==1){
+ stretchenergy(vesicle,lm);
+ stretchenergy(vesicle,lp);
+ }
return TS_FAIL;
}
--
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