From ea1cce4c80ddb68c0b46a6873ef3b64cc4a958a1 Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Mon, 24 Mar 2014 16:37:44 +0000
Subject: [PATCH] Added dmin_interspecies.
---
src/bondflip.c | 91 +++++++++++++++++++++++++++++++++++++++++++--
1 files changed, 86 insertions(+), 5 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 4935901..23afbc9 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -11,6 +11,7 @@
#include "bondflip.h"
//#include "io.h"
#include<stdio.h>
+#include<string.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:
@@ -113,7 +114,48 @@
}
if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999);
+
+
+/* backup old structure */
+/* need to backup:
+ * vertices k, kp, km, it
+ * triangles lm, lp, lm2, lp1
+ * bond
+ */
+ts_vertex *bck_vtx[4];
+ts_triangle *bck_tria[4];
+ts_bond *bck_bond;
+ts_vertex *orig_vtx[]={k,it,kp,km};
+ts_triangle *orig_tria[]={lm,lp,lm2,lp1};
+
+//fprintf(stderr,"Backuping!!!\n");
+ bck_bond=(ts_bond *)malloc(sizeof(ts_bond));
+for(i=0;i<4;i++){
+/* fprintf(stderr,"vtx neigh[%d]=",i);
+ for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
+ fprintf(stderr,"\n");
+*/
+ bck_vtx[i]=(ts_vertex *)malloc(sizeof(ts_vertex));
+ bck_tria[i]=(ts_triangle *)malloc(sizeof(ts_triangle));
+ memcpy((void *)bck_vtx[i],(void *)orig_vtx[i],sizeof(ts_vertex));
+ memcpy((void *)bck_tria[i],(void *)orig_tria[i],sizeof(ts_triangle));
+ /* level 2 pointers */
+
+ bck_vtx[i]->neigh=(ts_vertex **)malloc(orig_vtx[i]->neigh_no*sizeof(ts_vertex *));
+ bck_vtx[i]->tristar=(ts_triangle **)malloc(orig_vtx[i]->tristar_no*sizeof(ts_triangle *));
+ bck_vtx[i]->bond=(ts_bond **)malloc(orig_vtx[i]->bond_no*sizeof(ts_bond *));
+ bck_tria[i]->neigh=(ts_triangle **)malloc(orig_tria[i]->neigh_no*sizeof(ts_triangle *));
+
+ memcpy((void *)bck_vtx[i]->neigh,(void *)orig_vtx[i]->neigh,orig_vtx[i]->neigh_no*sizeof(ts_vertex *));
+ memcpy((void *)bck_vtx[i]->tristar,(void *)orig_vtx[i]->tristar,orig_vtx[i]->tristar_no*sizeof(ts_triangle *));
+ memcpy((void *)bck_vtx[i]->bond,(void *)orig_vtx[i]->bond,orig_vtx[i]->bond_no*sizeof(ts_bond *));
+ memcpy((void *)bck_tria[i]->neigh,(void *)orig_tria[i]->neigh,orig_tria[i]->neigh_no*sizeof(ts_triangle *));
+}
+ memcpy(bck_bond,bond,sizeof(ts_bond));
+//fprintf(stderr,"Backup complete!!!\n");
+/* end backup vertex */
+
/* Save old energy */
oldenergy=0;
oldenergy+=k->xk* k->energy;
@@ -155,15 +197,54 @@
#endif
{
//not accepted, reverting changes
-// fprintf(stderr,"Failed to move, due to MC\n");
+ //restore all backups
+// fprintf(stderr,"Restoring!!!\n");
- ts_flip_bond(kp,km,k,it, bond, lm,lp,lm2,lp1);
-// fprintf(stderr,"%e, %e, %e\n", lp->xnorm, lp->ynorm, lp->znorm);
- return TS_FAIL;
+ 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);
+// fprintf(stderr,"Restoration complete!!!\n");
+
+ return TS_FAIL;
}
}
/* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
-// fprintf(stderr,"SUCCESS!!!\n");
+ // fprintf(stderr,"SUCCESS!!!\n");
+
+ // delete all backups
+ for(i=0;i<4;i++){
+ free(bck_vtx[i]->neigh);
+ free(bck_vtx[i]->bond);
+ free(bck_vtx[i]->tristar);
+ free(bck_vtx[i]);
+ free(bck_tria[i]->neigh);
+ free(bck_tria[i]);
+/* fprintf(stderr,"Afret backup deletion vtx neigh[%d]=",i);
+ 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_SUCCESS;
}
--
Gitblit v1.9.3