From d06a9476717d788c426e88b6365d7a863928b5c9 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 09 Dec 2013 00:29:28 +0000
Subject: [PATCH] Debugging bondflip
---
src/bondflip.c | 92 ++++++++++++++++++++++-----------------------
1 files changed, 45 insertions(+), 47 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 17a1977..cc29021 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -27,50 +27,28 @@
*/
ts_vertex *it=bond->vtx1;
ts_vertex *k=bond->vtx2;
- ts_uint nei,neip,neim;
- ts_uint i; //j;
+ // ts_uint nei,neip,neim;
+ ts_uint i;
ts_double oldenergy, delta_energy;
- // ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lp2=NULL, *lm1=NULL, *lm2=NULL;
-
- ts_vertex *kp,*km;
-
- if(it->neigh->n< 3) return TS_FAIL;
- if(k->neigh->n< 3) return TS_FAIL;
- if(k==NULL || it==NULL){
- fatal("In bondflip, number of neighbours of k or it is less than 3!",999);
- }
-
- nei=0;
- for(i=0;i<it->neigh->n;i++){ // Finds the nn of it, that is k
- if(it->neigh->vtx[i]==k){
- nei=i;
- break;
- }
- }
- neip=nei+1; // I don't like it.. Smells like I must have it in correct order
- neim=nei-1;
- if(neip>=it->neigh->n) neip=0;
- if((ts_int)neim<0) neim=it->neigh->n-1; /* casting is essential... If not
-there the neim is never <0 !!! */
- // fprintf(stderr,"The numbers are: %u %u\n",neip, neim);
- km=it->neigh->vtx[neim]; // We located km and kp
- kp=it->neigh->vtx[neip];
-
- if(km==NULL || kp==NULL){
- fatal("In bondflip, cannot determine km and kp!",999);
- }
-
- // fprintf(stderr,"I WAS HERE! after the 4 vertices are known!\n");
+#ifdef DEBUG
+ if(bond->adjvtx[0]==NULL || bond->adjvtx[1]==NULL) fatal ("single_bondflip_timestep: Adjvertex for called bond is null. This should not happen!",999);
+#endif
+ ts_vertex *kp=bond->adjvtx[1],*km=bond->adjvtx[0];
+// ts_triangle *lm=NULL, *lp=NULL;
/* test if the membrane is wrapped too much, so that kp is nearest neighbour of
* km. If it is true, then don't flip! */
- for(i=0;i<km->neigh->n;i++){
+/*TODO: dec2013, i think this never happens!
+ for(i=0;i<km->neigh->n;i++){
if(km->neigh->vtx[i] == kp) return TS_FAIL;
}
+*/
+
+
// fprintf(stderr,"Membrane didn't wrap too much.. Continue.\n");
/* if bond would be too long, return... */
- if(vtx_distance_sq(km,kp) > vesicle->dmax ) return TS_FAIL;
- // fprintf(stderr,"Bond will not be too long.. Continue.\n");
+ if(vtx_distance_sq(bond->adjvtx[0],bond->adjvtx[1]) > vesicle->dmax ) return TS_FAIL;
+ // fprintf(stderr,"Bond will not be too long.. Continue.\n");
/* we make a bond flip. this is different than in original fortran */
// 0. step. Get memory prior the flip
@@ -101,12 +79,13 @@
*/
-// fprintf(stderr,"I WAS HERE! Before bondflip!\n");
- ts_flip_bond(k,it,km,kp, bond);
+ // fprintf(stderr,"I WAS HERE! Before bondflip!\n");
+ ts_flip_bond(bond);
// fprintf(stderr,"I WAS HERE! Bondflip successful!\n");
/* Calculating the new energy */
delta_energy=0;
+/* TODO: why this neighs are recalculated? Not necessary! */
for(i=0;i<k->neigh->n;i++) energy_vertex(k->neigh->vtx[i]);
for(i=0;i<kp->neigh->n;i++) energy_vertex(kp->neigh->vtx[i]);
for(i=0;i<km->neigh->n;i++) energy_vertex(km->neigh->vtx[i]);
@@ -137,7 +116,7 @@
// fprintf(stderr,"Failed to move, due to MC\n");
// ts_flip_bond(km,kp,it,k, bond);
- ts_flip_bond(kp,km,k,it, bond);
+ ts_flip_bond(bond);
/*
@@ -171,16 +150,15 @@
}
-ts_bool ts_flip_bond(ts_vertex *k,ts_vertex *it,ts_vertex *km, ts_vertex *kp,
-ts_bond *bond){
-
+ts_bool ts_flip_bond(ts_bond *bond){
+fprintf(stderr,"Called!\n");
ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lm2=NULL;
- ts_uint i,j; //lmidx, lpidx;
-if(k==NULL || it==NULL || km==NULL || kp==NULL){
+ ts_uint i; //lmidx, lpidx;
+/*This is no longer necessary! if(k==NULL || it==NULL || km==NULL || kp==NULL){
fatal("ts_flip_bond: You called me with invalid pointers to vertices",999);
-}
+}*/
// 1. step. We find lm and lp from k->tristar !
- for(i=0;i<it->tristar_no;i++){
+/* for(i=0;i<it->tristar_no;i++){
for(j=0;j<k->tristar_no;j++){
if((it->tristar[i] == k->tristar[j])){ //ce gre za skupen trikotnik
if((it->tristar[i]->vertex[0] == km || it->tristar[i]->vertex[1]
@@ -216,6 +194,14 @@
}
}
}
+*/
+//Upper block no longer neccessary.
+ts_vertex *it=bond->vtx1;
+ts_vertex *k=bond->vtx2;
+ts_vertex *km=bond->adjvtx[0];
+ts_vertex *kp=bond->adjvtx[1];
+lm=bond->tria[0];
+lp=bond->tria[1];
/*
// DEBUG TESTING!
fprintf(stderr,"*** Naslov k=%d\n",k);
@@ -231,8 +217,17 @@
// END DEBUG TESTING!
*/
+//find bonds between k and kp (adj[1] vtx)
+//find bonds between it and km (adj[0] vtx)
+for(i=0;i<it->tristar_no;i++){
+ if((it->tristar[i]->vertex[0]==km || it->tristar[i]->vertex[1]==km || it->tristar[i]->vertex[2]==km) && (it->tristar[i]->vertex[0]==it || it->tristar[i]->vertex[1]==it || it->tristar[i]->vertex[2]==it)){
+ lm2=it->tristar[i];
+ }
+ else if ((it->tristar[i]->vertex[0]==kp || it->tristar[i]->vertex[1]==kp || it->tristar[i]->vertex[2]==kp) && (it->tristar[i]->vertex[0]==k || it->tristar[i]->vertex[1]==k || it->tristar[i]->vertex[2]==k)){
+ lp1=it->tristar[i];
+ }
+}
if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999);
-
/*
//DEBUG TESTING
fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n");
@@ -351,6 +346,9 @@
energy_vertex(km);
energy_vertex(it);
+//Extra steps for new bond data structure
+bond->adjvtx[0]=k;
+bond->adjvtx[1]=it;
// END modifications to data structure!
--
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