From 200815edf1548d444aa3b5db908a1628adeb2a05 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Tue, 05 Nov 2013 17:53:51 +0000
Subject: [PATCH] Vertex tainting done
---
src/timestep.c | 44 +++++++++++++++++++++++++++++++++++++++-----
1 files changed, 39 insertions(+), 5 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 83e6f9b..1ac1eb4 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -6,27 +6,61 @@
#include "timestep.h"
#include "vertexmove.h"
#include "bondflip.h"
+#include "frame.h"
+#include "vertex.h"
+#include "io.h"
+ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations){
+ ts_uint i, j;
+
+ centermass(vesicle);
+ cell_occupation(vesicle);
+ ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
+ for(i=0;i<inititer+iterations;i++){
+ for(j=0;j<mcsweeps;j++){
+ single_timestep(vesicle);
+ }
+ centermass(vesicle);
+ cell_occupation(vesicle);
+ if(i>inititer){
+ write_vertex_xml_file(vesicle,i-inititer);
+ }
+ }
+ return TS_SUCCESS;
+}
ts_bool single_timestep(ts_vesicle *vesicle){
ts_bool retval;
ts_double rnvec[3];
- ts_uint i;
+ ts_uint i, b;
for(i=0;i<vesicle->vlist->n;i++){
rnvec[0]=drand48();
rnvec[1]=drand48();
rnvec[2]=drand48();
+ vertex_taint(vesicle->vlist->vtx[i],1);
+// ts_fprintf(stdout, "Vertex %d should be tainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
+ if(vertex_tainted(vesicle->vlist->vtx[i],1,1)){
+ ts_fprintf(stdout, "Vertex %d tainted, level=%d. Waiting....\n", i, vesicle->vlist->vtx[i]->locked);
+ while(vertex_tainted(vesicle->vlist->vtx[i],1,1));
+ }
retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec);
+ vertex_untaint(vesicle->vlist->vtx[i],1);
+// ts_fprintf(stdout, "Vertex %d should be untainted, level=%d.\n", i, vesicle->vlist->vtx[i]->locked);
}
- for(i=0;i<vesicle->blist->n;i++){
- rnvec[0]=drand48();
+// ts_int cnt=0;
+ for(i=0;i<vesicle->vlist->n;i++){
+//why is rnvec needed in bondflip?
+/* rnvec[0]=drand48();
rnvec[1]=drand48();
rnvec[2]=drand48();
+*/
+ b=rand() % vesicle->blist->n;
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
- retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[i],rnvec);
-
+ retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
+// if(retval==TS_SUCCESS) cnt++;
}
+// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,vesicle->blist->n,(double)cnt/(double)vesicle->blist->n);
if(retval);
return TS_SUCCESS;
}
--
Gitblit v1.9.3