From 719c9febac2eaff9483fda487b57684afbb59bb2 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 05 Mar 2014 16:47:50 +0000
Subject: [PATCH] dont know
---
src/bondflip.c | 147 ++++++++++++++++++++----------------------------
1 files changed, 62 insertions(+), 85 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 17a1977..4ceaf2b 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -15,10 +15,10 @@
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:
c +----- k-------+ +----- k ------+
-c |lm1 / | \ lp1 | |lm1 / \ lp1 |
+c |lm1 / ^ \ lp1 | |lm1 / \ lp1 |
c | / | \ | | / \ |
c |/ | \ | FLIP |/ lm \ |
-c km lm | lp kp ---> km ---------- kp
+c km lm | lp kp ---> km ---------> kp
c |\ | / | |\ lp / |
c | \ | / | | \ / |
c |lm2 \ | / lp2 | |lm2 \ / lp2 |
@@ -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]);
@@ -134,10 +113,10 @@
#endif
{
//not accepted, reverting changes
- // fprintf(stderr,"Failed to move, due to MC\n");
+ 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);
/*
@@ -163,7 +142,7 @@
return TS_FAIL;
}
}
- // fprintf(stderr,"Success\n");
+ fprintf(stderr,"Success\n");
/* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
@@ -171,51 +150,17 @@
}
-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){
- 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(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]
-== km || it->tristar[i]->vertex[2]== km )){
- lm=it->tristar[i];
- // lmidx=i;
- }
- else
- {
- lp=it->tristar[i];
- // lpidx=i;
- }
- }
- }
- }
-if(lm==NULL || lp==NULL) fatal("ts_flip_bond: Cannot find triangles lm and lp!",999);
-
-//we look for important triangles lp1 and lm2.
-
- for(i=0;i<k->tristar_no;i++){
- for(j=0;j<kp->tristar_no;j++){
- if((k->tristar[i] == kp->tristar[j]) && k->tristar[i]!=lp){ //ce gre za skupen trikotnik
- lp1=k->tristar[i];
- }
- }
-}
-
- for(i=0;i<it->tristar_no;i++){
- for(j=0;j<km->tristar_no;j++){
- if((it->tristar[i] == km->tristar[j]) && it->tristar[i]!=lm){ //ce gre za skupen trikotnik
- lm2=it->tristar[i];
- }
- }
- }
+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);
@@ -231,6 +176,35 @@
// 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<3;i++){
+if(lm->neigh[i]==lp) break;
+ for(j=0;j<3;j++){
+ if(lm->neigh[i]->vertex[j]==it) lm2=lm->neigh[i];
+ }
+}
+
+for(i=0;i<3;i++){
+if(lp->neigh[i]==lm) break;
+ for(j=0;j<3;j++){
+ if(lp->neigh[i]->vertex[j]==k) lp1=lp->neigh[i];
+ }
+}
+
+/*
+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 ) fatal("ts_flip_bond: Cannot find triangles lm2!",999);
+if(lp1==NULL ) fatal("ts_flip_bond: Cannot find triangles lp1!",999);
if(lm2==NULL || lp1==NULL) fatal("ts_flip_bond: Cannot find triangles lm2 and lp1!",999);
/*
@@ -351,7 +325,10 @@
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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