From 43e534d0d6499cf47569787f2468a6941bd03721 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo@CAE-linux.(none)>
Date: Wed, 12 Nov 2014 22:21:19 +0000
Subject: [PATCH] finished. debugging begins
---
src/timestep.c | 33 +++++++++++++++++++++------------
1 files changed, 21 insertions(+), 12 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index 26f42ce..315c1d1 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -14,23 +14,27 @@
#include "vesicle.h"
#include<gsl/gsl_complex.h>
#include<gsl/gsl_complex_math.h>
-
+#include<string.h>
ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){
ts_uint i, j,k,l,m;
ts_double r0,kc1,kc2,kc3,kc4;
- ts_double l1,l2,l3,volume=0.0,area=0.0,vmsr,bfsr, vmsrt, bfsrt;
+ ts_double l1,l2,l3,vmsr,bfsr, vmsrt, bfsrt;
ts_ulong epochtime;
FILE *fd1,*fd2=NULL;
-// char filename[255];
- FILE *fd=fopen("statistics.csv","w");
+ char filename[10000];
+ strcpy(filename,command_line_args.path);
+ strcat(filename,"statistics.csv");
+ FILE *fd=fopen(filename,"w");
if(fd==NULL){
fatal("Cannot open statistics.csv file for writing",1);
}
fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3 Kc(2-9) Kc(6-9) Kc(2-end) Kc(3-6)\n");
if(vesicle->sphHarmonics!=NULL){
- fd2=fopen("ulm2.csv","w");
+ strcpy(filename,command_line_args.path);
+ strcat(filename,"ulm2.csv");
+ fd2=fopen(filename,"w");
if(fd2==NULL){
fatal("Cannot open ulm2.csv file for writing",1);
}
@@ -45,8 +49,12 @@
centermass(vesicle);
cell_occupation(vesicle);
vesicle_volume(vesicle); //needed for constant volume at this moment
+ vesicle_area(vesicle); //needed for constant area at this moment
V0=vesicle->volume;
- epsvol=V0*0.003e-2; //TODO! Follow Miha's derivation for exact formula;
+ A0=vesicle->area;
+ epsvol=4.0*sqrt(2.0*M_PI)/pow(3.0,3.0/4.0)*V0/pow(vesicle->tlist->n,3.0/2.0);
+ epsarea=A0/(ts_double)vesicle->tlist->n;
+ // fprintf(stderr, "DVol=%1.16f (%1.16f), V0=%1.16f\n", epsvol,0.003e-2*V0,V0);
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++){
vmsr=0.0;
@@ -69,11 +77,11 @@
dump_state(vesicle,i);
if(i>=inititer){
write_vertex_xml_file(vesicle,i-inititer);
- write_master_xml_file("test.pvd");
+ write_master_xml_file(command_line_args.output_fullfilename);
epochtime=get_epoch();
gyration_eigen(vesicle, &l1, &l2, &l3);
- vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet!
- get_area_volume(vesicle, &area,&volume); //that's why I must recalculate area (and volume for no particular reason).
+ vesicle_volume(vesicle); //calculates just volume.
+ vesicle_area(vesicle); //calculates area.
r0=getR0(vesicle);
if(vesicle->sphHarmonics!=NULL){
preparationSh(vesicle,r0);
@@ -85,8 +93,9 @@
kc2=calculateKc(vesicle, 6,9);
kc3=calculateKc(vesicle, 2,vesicle->sphHarmonics->l);
kc4=calculateKc(vesicle, 3,6);
-
- fd1=fopen("state.dat","w");
+ strcpy(filename,command_line_args.path);
+ strcat(filename,"state.dat");
+ fd1=fopen(filename,"w");
fprintf(fd1,"%e %e\n",vesicle->volume, getR0(vesicle));
for(k=0;k<vesicle->vlist->n;k++){
fprintf(fd1,"%e %e %e %e %e\n",
@@ -111,7 +120,7 @@
}
- fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3,kc1, kc2, kc3,kc4);
+ fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,vesicle->volume, vesicle->area,l1,l2,l3,kc1, kc2, kc3,kc4);
fflush(fd);
// sprintf(filename,"timestep-%05d.pov",i-inititer);
--
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