From 352fad2165896fe4bedda7fdc355950c4cbcb37c Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 12 Jul 2012 15:51:17 +0000
Subject: [PATCH] Gained another 25-30%.
---
src/vertexmove.c | 65 +++++++++-----------------------
1 files changed, 18 insertions(+), 47 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 54b4491..b575346 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -19,64 +19,51 @@
ts_double dist;
ts_bool retval;
ts_uint cellidx;
- //ts_double xold,yold,zold;
ts_double delta_energy,oenergy;
- ts_vertex *ovtx;
- ts_vertex *tvtx=(ts_vertex *)calloc(1,sizeof(ts_vertex));
-
//This will hold all the information of vtx and its neighbours
ts_vertex **backupvtx=(ts_vertex **)calloc(vtx->neigh_no+1,sizeof(ts_vertex *));
-
- //randomly we move the temporary vertex
- tvtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
- tvtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
- tvtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
- //check we if some length to neighbours are too much
+ backupvtx[0]=(ts_vertex *)malloc(sizeof(ts_vertex));
+ backupvtx[0]=(ts_vertex *)memcpy((void *)backupvtx[0],(void *)vtx,sizeof(ts_vertex));
+ //temporarly moving the vertex
+ vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
+ vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
+ vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
+ //check we if some length to neighbours are too much
for(i=0;i<vtx->neigh_no;i++){
- dist=vtx_distance_sq(tvtx,vtx->neigh[i]);
+ dist=vtx_distance_sq(vtx,vtx->neigh[i]);
if(dist<1.0 || dist>vesicle->dmax) {
- vtx_free(tvtx);
+ vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
+ free(backupvtx[0]);
+ free(backupvtx);
// fprintf(stderr,"Fail 1, dist=%f, vesicle->dmax=%f\n", dist, vesicle->dmax);
return TS_FAIL;
}
}
//self avoidance check with distant vertices
- cellidx=vertex_self_avoidance(vesicle, tvtx);
+ cellidx=vertex_self_avoidance(vesicle, vtx);
//check occupation number
- retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx,tvtx);
+ retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,backupvtx[0],vtx);
if(retval==TS_FAIL){
- vtx_free(tvtx);
+ vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
+ free(backupvtx[0]);
+ free(backupvtx);
// fprintf(stderr,"Fail 2\n");
return TS_FAIL;
}
- //if all the tests are successful, then we update the vertex position
- backupvtx[0]=(ts_vertex *)malloc(sizeof(ts_vertex));
- backupvtx[0]=(ts_vertex *)memcpy((void *)backupvtx[0],(void *)vtx,sizeof(ts_vertex));
-
+ //if all the tests are successful, then energy for vtx and neighbours is calculated
for(i=0;i<vtx->neigh_no;i++){
backupvtx[i+1]=(ts_vertex *)malloc(sizeof(ts_vertex));
backupvtx[i+1]=memcpy((void *)backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
}
-// fprintf(stderr,"CREATED\n");
-
-
- // xold=vtx->x;
- // yold=vtx->y;
- // zold=vtx->z;
- ovtx=malloc(sizeof(ts_vertex));
- vtx_copy(ovtx,vtx);
- vtx->x=tvtx->x;
- vtx->y=tvtx->y;
- vtx->z=tvtx->z;
delta_energy=0;
//update the normals of triangles that share bead i.
for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
//energy and curvature
energy_vertex(vtx);
- delta_energy=vtx->xk*(vtx->energy - ovtx->energy);
+ delta_energy=vtx->xk*(vtx->energy - backupvtx[0]->energy);
//the same is done for neighbouring vertices
for(i=0;i<vtx->neigh_no;i++){
oenergy=vtx->neigh[i]->energy;
@@ -97,10 +84,6 @@
#endif
{
//not accepted, reverting changes
- // vtx->x=xold;
- // vtx->y=yold;
- // vtx->z=zold;
-
vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
free(backupvtx[0]);
for(i=0;i<vtx->neigh_no;i++){
@@ -112,14 +95,6 @@
//update the normals of triangles that share bead i.
for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
- //energy and curvature
- // energy_vertex(vtx);
- //the same is done for neighbouring vertices
-// for(i=0;i<vtx->neigh_no;i++) energy_vertex(vtx->neigh[i]);
-// free(ovtx->bond_length);
- free(ovtx->bond_length_dual);
- free(ovtx);
- vtx_free(tvtx);
return TS_FAIL;
}
@@ -128,10 +103,6 @@
//TODO: change cell occupation if necessary!
// fprintf(stderr,"Success!!\n");
- free(ovtx->bond_length);
- free(ovtx->bond_length_dual);
- free(ovtx);
- vtx_free(tvtx);
free(backupvtx[0]);
for(i=0;i<vtx->neigh_no;i++){
free(backupvtx[i+1]);
--
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