From fcfb89f8e0056e10631d3b09fca90bad7241db0e Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 25 May 2016 18:36:30 +0000
Subject: [PATCH] ulm2 calculations in tsmeasure.c
---
src/bondflip.c | 48 ++++++++++++++++++++++++++++++++++++++++++------
1 files changed, 42 insertions(+), 6 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 4c8b50c..858dc74 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdlib.h>
#include<math.h>
#include "general.h"
@@ -31,7 +32,7 @@
ts_vertex *k=bond->vtx2;
ts_uint nei,neip,neim;
ts_uint i,j;
- ts_double oldenergy, delta_energy, dvol=0.0;
+ ts_double oldenergy, delta_energy, dvol=0.0, darea=0.0;
ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lm2=NULL;
ts_vertex *kp,*km;
@@ -170,7 +171,7 @@
//Neigbours of k, it, km, kp don't change its energy.
if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){dvol = -lm->volume - lp->volume;}
-
+ if(vesicle->tape->constareaswitch==2){darea=-lm->area-lp->area;}
/* vesicle_volume(vesicle);
fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
*/
@@ -192,6 +193,39 @@
dvol = dvol + lm->volume + lp->volume;
if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol;
}
+ if(vesicle->tape->constareaswitch==2){
+ darea=darea+lm->area+lp->area;
+/*check whether the dvol is gt than epsvol */
+ if(fabs(vesicle->area+darea-A0)>epsarea){
+ //restore old state.
+ /* restoration procedure copied from few lines below */
+ for(i=0;i<4;i++){
+ // fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
+ free(orig_vtx[i]->neigh);
+ free(orig_vtx[i]->tristar);
+ free(orig_vtx[i]->bond);
+ free(orig_tria[i]->neigh);
+ memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
+ memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
+ // fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
+ /* level 2 pointers are redirected*/
+ }
+ memcpy(bond,bck_bond,sizeof(ts_bond));
+ for(i=0;i<4;i++){
+ free(bck_vtx[i]);
+ free(bck_tria[i]);
+ /* fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
+ for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
+ fprintf(stderr,"\n"); */
+ }
+ free(bck_bond);
+ return TS_FAIL;
+
+ }
+ }
+
+
+
if(vesicle->tape->constvolswitch == 2){
/*check whether the dvol is gt than epsvol */
@@ -305,12 +339,14 @@
/* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
// fprintf(stderr,"SUCCESS!!!\n");
- if(vesicle->tape->constvolswitch == 2){
- vesicle->volume+=dvol;
- } else
- if(vesicle->tape->constvolswitch == 1){
+ if(vesicle->tape->constvolswitch == 2){
+ vesicle->volume+=dvol;
+ } else if(vesicle->tape->constvolswitch == 1){
constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
}
+ if(vesicle->tape->constareaswitch==2){
+ vesicle->area+=darea;
+ }
// delete all backups
for(i=0;i<4;i++){
free(bck_vtx[i]->neigh);
--
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