From 06afc729f9061c1cfa14c78728d61d518324c2f0 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 04 May 2022 05:46:43 +0000
Subject: [PATCH] Moved all global variables to separate file and defined extern keyword where appropriate
---
src/bondflip.c | 25 +++++++++++++++++++------
1 files changed, 19 insertions(+), 6 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 858dc74..973a58a 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -14,6 +14,7 @@
#include<stdio.h>
#include<string.h>
#include "constvol.h"
+#include "globals.h"
ts_bool single_bondflip_timestep(ts_vesicle *vesicle, ts_bond *bond, ts_double *rn){
/*c Vertex and triangle (lm and lp) indexing for bond flip:
@@ -32,7 +33,7 @@
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;
@@ -163,11 +164,12 @@
/* 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;
oldenergy+=it->xk* it->energy;
+ oldenergy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
//Neigbours of k, it, km, kp don't change its energy.
if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){dvol = -lm->volume - lp->volume;}
@@ -175,18 +177,24 @@
/* 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);
+ 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){
@@ -332,6 +340,10 @@
// 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;
}
@@ -369,7 +381,7 @@
ts_bool ts_flip_bond(ts_vertex *k,ts_vertex *it,ts_vertex *km, ts_vertex *kp,
-ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1){
+ts_bond *bond, ts_triangle *lm, ts_triangle *lp, ts_triangle *lm2, ts_triangle *lp1, ts_double w_energy){
ts_uint i; //lmidx, lpidx;
if(k==NULL || it==NULL || km==NULL || kp==NULL){
@@ -435,6 +447,7 @@
energy_vertex(kp);
energy_vertex(km);
energy_vertex(it);
+ attraction_bond_energy(bond, w_energy);
// END modifications to data structure!
return TS_SUCCESS;
}
--
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