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 | 190 +++++++++++++++++++++--------------------------
1 files changed, 85 insertions(+), 105 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 02d3186..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_no< 3) return TS_FAIL;
- if(k->neigh_no< 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_no;i++){ // Finds the nn of it, that is k
- if(it->neigh[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_no) neip=0;
- if((ts_int)neim<0) neim=it->neigh_no-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[neim]; // We located km and kp
- kp=it->neigh[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_no;i++){
- if(km->neigh[i] == kp) return TS_FAIL;
+/*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
@@ -83,7 +61,7 @@
// for(i=0;i<kp->neigh_no;i++) oldenergy+=kp->neigh[i]->xk*kp->neigh[i]->energy;
// for(i=0;i<km->neigh_no;i++) oldenergy+=km->neigh[i]->xk*km->neigh[i]->energy;
// for(i=0;i<it->neigh_no;i++) oldenergy+=it->neigh[i]->xk*it->neigh[i]->energy;
-
+/*
fprintf(stderr,"*** Naslov k=%ld\n",(long)k);
fprintf(stderr,"*** Naslov it=%ld\n",(long)it);
fprintf(stderr,"*** Naslov km=%ld\n",(long)km);
@@ -100,17 +78,18 @@
fprintf(stderr,"kp sosed=%ld\n",(long)kp->neigh[i]);
-
- fprintf(stderr,"I WAS HERE! Before bondflip!\n");
- ts_flip_bond(k,it,km,kp, bond);
- fprintf(stderr,"I WAS HERE! Bondflip successful!\n");
+*/
+ // 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;
- for(i=0;i<k->neigh_no;i++) energy_vertex(k->neigh[i]);
- for(i=0;i<kp->neigh_no;i++) energy_vertex(kp->neigh[i]);
- for(i=0;i<km->neigh_no;i++) energy_vertex(km->neigh[i]);
- for(i=0;i<it->neigh_no;i++) energy_vertex(it->neigh[i]);
+/* 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]);
+ for(i=0;i<it->neigh->n;i++) energy_vertex(it->neigh->vtx[i]);
delta_energy+=k->xk* k->energy;
delta_energy+=kp->xk* kp->energy;
delta_energy+=km->xk* km->energy;
@@ -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);
@@ -231,9 +176,38 @@
// 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);
-
+/*
//DEBUG TESTING
fprintf(stderr,"1. step: lm, lm2, lp1 and lp found!\n");
fprintf(stderr,"--- Naslov lm=%ld",(long)lm);
@@ -252,7 +226,7 @@
for(i=0;i<lp->neigh_no;i++)
fprintf(stderr,"lp sosed=%ld\n",(long)lp->neigh[i]);
// END DEBUG TESTING
-
+*/
/*
// DEBUG TESTING!
@@ -270,25 +244,28 @@
// 2. step. We change the triangle vertices... (actual bond flip)
for(i=0;i<3;i++) if(lm->vertex[i]== it) lm->vertex[i]= kp;
for(i=0;i<3;i++) if(lp->vertex[i]== k) lp->vertex[i]= km;
-fprintf(stderr,"2. step: actual bondflip made\n");
+//fprintf(stderr,"2. step: actual bondflip made\n");
// 2a. step. If any changes in triangle calculations must be done, do it here!
// * normals are recalculated here
triangle_normal_vector(lp);
triangle_normal_vector(lm);
-fprintf(stderr,"2a. step: triangle normals recalculated\n");
+//fprintf(stderr,"2a. step: triangle normals recalculated\n");
// 3. step. Correct neighbours in vertex_list
- vtx_remove_neighbour(k,it);
+ vertex_list_remove_vtx(k->neigh, it);
+ vertex_list_remove_vtx(it->neigh, k);
+ //vtx_remove_neighbour(k,it);
// vtx_remove_neighbour(it,k);
-fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n");
+//fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n");
//Tukaj pa nastopi tezava... Kam dodati soseda?
- vtx_insert_neighbour(km,kp,k);
- vtx_insert_neighbour(kp,km,it);
-// vertex_add_neighbour(km,kp); //pazi na vrstni red.
-// vertex_add_neighbour(kp,km);
-fprintf(stderr,"3. step: vertex neighbours corrected\n");
+
+// vtx_insert_neighbour(km,kp,k);
+// vtx_insert_neighbour(kp,km,it);
+ vtx_add_neighbour(km,kp); //pazi na vrstni red.
+ vtx_add_neighbour(kp,km);
+//fprintf(stderr,"3. step: vertex neighbours corrected\n");
// 3a. step. If any changes to ts_vertex, do it here!
// bond_length calculatons not required for it is done in energy.c
@@ -302,7 +279,7 @@
// 5. step. Correct neighbouring triangles
triangle_remove_neighbour(lp,lp1);
- // fprintf(stderr,".\n");
+ // fprintf(stderr,".\n");
triangle_remove_neighbour(lp1,lp);
// fprintf(stderr,".\n");
triangle_remove_neighbour(lm,lm2);
@@ -348,7 +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!
--
Gitblit v1.9.3