From bc4e1ee61725fdf7ec81a9583b7fa545f847e07b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 30 Nov 2013 17:12:09 +0000
Subject: [PATCH] It works
---
src/io.c | 51 +++++++++++++++++++++++++++++++--------------------
1 files changed, 31 insertions(+), 20 deletions(-)
diff --git a/src/io.c b/src/io.c
index f993e72..f35b57d 100644
--- a/src/io.c
+++ b/src/io.c
@@ -8,7 +8,7 @@
#include<stdlib.h>
#include <sys/types.h>
#include <dirent.h>
-
+#include "initial_distribution.h"
ts_bool print_vertex_list(ts_vertex_list *vlist){
ts_uint i;
@@ -25,10 +25,10 @@
ts_vertex **vtx=vlist->vtx;
printf("Vertex id(neigh no): (neighvertex coord) (neighvertex coord) ...\n");
for(i=0;i<vlist->n;i++){
- printf("%u(%u): ",vtx[i]->idx,vtx[i]->neigh_no);
- for(j=0;j<vtx[i]->neigh_no;j++){
- printf("(%f,%f,%f)",vtx[i]->neigh[j]->x,
-vtx[i]->neigh[j]->y,vtx[i]->neigh[j]->z);
+ printf("%u(%u): ",vtx[i]->idx,vtx[i]->neigh->n);
+ for(j=0;j<vtx[i]->neigh->n;j++){
+ printf("(%f,%f,%f)",vtx[i]->neigh->vtx[j]->x,
+vtx[i]->neigh->vtx[j]->y,vtx[i]->neigh->vtx[j]->z);
}
printf("\n");
}
@@ -59,9 +59,9 @@
for(i=0;i<vlist->n;i++){
fprintf(fh," %.17E\t%.17E\t%.17E\t%u\n",vlist->vtx[i]->x,
vlist->vtx[i]->y, vlist->vtx[i]->z,
- vlist->vtx[i]->neigh_no);
- for(j=0;j<vlist->vtx[i]->neigh_no;j++){
- fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh[j]->idx));
+ vlist->vtx[i]->neigh->n);
+ for(j=0;j<vlist->vtx[i]->neigh->n;j++){
+ fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh->vtx[j]->idx));
//-vlist->vtx+1));
}
fprintf(fh,"\n");
@@ -107,11 +107,11 @@
fprintf(fh," %.17E\t%.17E\t%.17E\t%.17E\t%.17E\t%u\n",
vlist->vtx[i]->xk,vlist->vtx[i]->c,vlist->vtx[i]->energy,
vlist->vtx[i]->energy_h, vlist->vtx[i]->curvature, 0);
- for(j=0;j<vlist->vtx[i]->neigh_no;j++){
+ for(j=0;j<vlist->vtx[i]->neigh->n;j++){
fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length_dual);
}
fprintf(fh,"\n");
- for(j=0;j<vlist->vtx[i]->neigh_no;j++){
+ for(j=0;j<vlist->vtx[i]->neigh->n;j++){
fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length);
}
fprintf(fh,"\n");
@@ -294,12 +294,14 @@
-ts_bool parsetape(ts_vesicle *vesicle,ts_uint *iterations){
+ts_vesicle *parsetape(ts_uint *mcsweeps, ts_uint *inititer, ts_uint *iterations){
long int nshell=17,ncxmax=60, ncymax=60, nczmax=60; // THIS IS DUE TO CONFUSE BUG!
- char buf[255];
- long int brezveze=1;
+ char *buf=malloc(255*sizeof(char));
+ long int brezveze0=1;
+ long int brezveze1=1;
+ long int brezveze2=1;
ts_double xk0=25.0, dmax=1.67,stepsize=0.15;
- *iterations=1000;
+ long int iter=1000, init=1000, mcsw=1000;
cfg_opt_t opts[] = {
CFG_SIMPLE_INT("nshell", &nshell),
CFG_SIMPLE_FLOAT("dmax", &dmax),
@@ -308,12 +310,14 @@
CFG_SIMPLE_INT("nxmax", &ncxmax),
CFG_SIMPLE_INT("nymax", &ncymax),
CFG_SIMPLE_INT("nzmax", &nczmax),
- CFG_SIMPLE_INT("iterations",iterations),
+ CFG_SIMPLE_INT("iterations",&iter),
+ CFG_SIMPLE_INT("mcsweeps",&mcsw),
+ CFG_SIMPLE_INT("inititer", &init),
CFG_SIMPLE_BOOL("quiet",&quiet),
CFG_SIMPLE_STR("multiprocessing",buf),
- CFG_SIMPLE_INT("smp_cores",&brezveze),
- CFG_SIMPLE_INT("cluster_nodes",&brezveze),
- CFG_SIMPLE_INT("distributed_processes",&brezveze),
+ CFG_SIMPLE_INT("smp_cores",&brezveze0),
+ CFG_SIMPLE_INT("cluster_nodes",&brezveze1),
+ CFG_SIMPLE_INT("distributed_processes",&brezveze2),
CFG_END()
};
cfg_t *cfg;
@@ -326,6 +330,11 @@
else if(retval==CFG_PARSE_ERROR){
fatal("Invalid tape!",100);
}
+ ts_vesicle *vesicle;
+ *iterations=iter;
+ *inititer=init;
+ *mcsweeps=mcsw;
+ vesicle=initial_distribution_dipyramid(nshell,ncxmax,ncymax,nczmax,stepsize);
vesicle->nshell=nshell;
vesicle->dmax=dmax*dmax;
vesicle->bending_rigidity=xk0;
@@ -334,9 +343,11 @@
vesicle->clist->ncmax[1]=ncymax;
vesicle->clist->ncmax[2]=nczmax;
vesicle->clist->max_occupancy=8;
+
cfg_free(cfg);
-// fprintf(stderr,"NSHELL=%u\n",vesicle->nshell);
- return TS_SUCCESS;
+ free(buf);
+ // fprintf(stderr,"NSHELL=%u\n",vesicle->nshell);
+ return vesicle;
}
--
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