From 1d5dff5a3576a028f691608ef9369844efdfe82b Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 29 Nov 2013 14:43:30 +0000
Subject: [PATCH] Structures for grafted polymers (Samo&Miha)
---
src/io.c | 33 ++++++++++++++++++++++-----------
1 files changed, 22 insertions(+), 11 deletions(-)
diff --git a/src/io.c b/src/io.c
index f993e72..9e278ec 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;
@@ -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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