From 42641cde38cfd1d27a2031604cc1397b5bd2849b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 21 Mar 2014 20:57:24 +0000
Subject: [PATCH] Merge with trout-rnc.
---
src/timestep.c | 56 +++++++++++++++++++++++++++++++++++++-------------------
1 files changed, 37 insertions(+), 19 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index c25c1fb..d631d42 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -7,21 +7,23 @@
#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_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){
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++){
+ if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
+ for(i=start_iteration;i<inititer+iterations;i++){
for(j=0;j<mcsweeps;j++){
single_timestep(vesicle);
}
centermass(vesicle);
cell_occupation(vesicle);
- if(i>inititer){
+ ts_fprintf(stdout,"Done %d out of %d iterations (x %d MC sweeps).\n",i+1,inititer+iterations,mcsweeps);
+ dump_state(vesicle,i);
+ if(i>=inititer){
write_vertex_xml_file(vesicle,i-inititer);
}
}
@@ -31,33 +33,49 @@
ts_bool single_timestep(ts_vesicle *vesicle){
ts_bool retval;
ts_double rnvec[3];
- ts_uint i;// b;
+ ts_uint i,j,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);
}
// ts_int cnt=0;
-/*
- for(i=0;i<vesicle->vlist->n;i++){
+ for(i=0;i<3*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[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);
-*/
+ }
+
+ for(i=0;i<vesicle->poly_list->n;i++){
+ for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
+ rnvec[0]=drand48();
+ rnvec[1]=drand48();
+ rnvec[2]=drand48();
+ retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec);
+ }
+ }
+
+
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
+ rnvec[0]=drand48();
+ rnvec[1]=drand48();
+ rnvec[2]=drand48();
+ retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec);
+ }
+ }
+
+
+// printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0);
if(retval);
return TS_SUCCESS;
}
--
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