From 1153c110781fc3add2c22ab2d996e05b0e0b10de Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 08 Mar 2014 11:56:00 +0000
Subject: [PATCH] Merged branches polyel with constant volume
---
src/io.c | 44 +++++++++++++++++++++++++++++++-------------
1 files changed, 31 insertions(+), 13 deletions(-)
diff --git a/src/io.c b/src/io.c
index 262e482..aab00bb 100644
--- a/src/io.c
+++ b/src/io.c
@@ -22,7 +22,7 @@
FILE *fh=fopen("dump.bin","wb");
/* dump vesicle */
- fwrite(vesicle, sizeof(vesicle),1,fh);
+ fwrite(vesicle, sizeof(ts_vesicle),1,fh);
/* dump vertex list */
fwrite(vesicle->vlist, sizeof(ts_vertex_list),1,fh);
/* dump bond list */
@@ -127,6 +127,8 @@
poly_list->poly->bond
*/
+ fwrite(vesicle->clist, sizeof(ts_cell_list),1, fh);
+
fclose(fh);
return TS_SUCCESS;
}
@@ -142,7 +144,9 @@
/* we restore all the data from the dump */
/* restore vesicle */
ts_vesicle *vesicle=(ts_vesicle *)calloc(1,sizeof(ts_vesicle));
- retval=fread(vesicle, sizeof(vesicle),1,fh);
+ retval=fread(vesicle, sizeof(ts_vesicle),1,fh);
+// fprintf(stderr,"was here! %e\n",vesicle->dmax);
+
/* restore vertex list */
vesicle->vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list));
retval=fread(vesicle->vlist, sizeof(ts_vertex_list),1,fh);
@@ -170,11 +174,13 @@
for(i=0;i<vesicle->tlist->n;i++){
vesicle->tlist->tria[i]=(ts_triangle *)malloc(sizeof(ts_triangle));
}
-
- /*restore vertices*/
+/* prerequisity. Vertices must be malloced before vertexes are recreated */
vesicle->vlist->vtx=(ts_vertex **)calloc(vesicle->vlist->n,sizeof(ts_vertex *));
- for(i=0;i<vesicle->vlist->n;i++){
+ for(i=0;i<vesicle->vlist->n;i++){
vesicle->vlist->vtx[i]=(ts_vertex *)malloc(sizeof(ts_vertex));
+ }
+ /*restore vertices*/
+ for(i=0;i<vesicle->vlist->n;i++){
retval=fread(vesicle->vlist->vtx[i],sizeof(ts_vertex),1,fh);
/*restore neigh, bond, tristar. Ignoring cell */
vesicle->vlist->vtx[i]->neigh=(ts_vertex **)calloc(vesicle->vlist->vtx[i]->neigh_no, sizeof(ts_vertex *));
@@ -298,8 +304,14 @@
}
}
-
-
+// recreating space for cells //
+ vesicle->clist=(ts_cell_list *)malloc(sizeof(ts_cell_list));
+ retval=fread(vesicle->clist, sizeof(ts_cell_list), 1,fh);
+ vesicle->clist->cell=(ts_cell **)malloc(sizeof(ts_cell *)*vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2]);
+ for(i=0;i<vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2];i++){
+ vesicle->clist->cell[i]=(ts_cell *)calloc(1,sizeof(ts_cell));
+ vesicle->clist->cell[i]->idx=i+1; // We enumerate cells! Probably never required!
+ }
if(retval);
fclose(fh);
@@ -405,11 +417,11 @@
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]->bond_no;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]->bond_no;j++){
fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length);
}
fprintf(fh,"\n");
@@ -636,12 +648,12 @@
ts_vesicle *parsetape(ts_uint *mcsweeps, ts_uint *inititer, ts_uint *iterations){
- long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20; // THIS IS DUE TO CONFUSE BUG!
+ long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20, pswitch=0; // THIS IS DUE TO CONFUSE BUG!
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,kspring=800.0;
+ ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0,pressure=0.0;
long int iter=1000, init=1000, mcsw=1000;
@@ -651,7 +663,9 @@
CFG_SIMPLE_INT("nmono", &nmono),
CFG_SIMPLE_FLOAT("dmax", &dmax),
CFG_SIMPLE_FLOAT("xk0",&xk0),
- CFG_SIMPLE_FLOAT("k_spring",&kspring),
+ CFG_SIMPLE_INT("pswitch",&pswitch),
+ CFG_SIMPLE_FLOAT("pressure",&pressure),
+ CFG_SIMPLE_FLOAT("k_spring",&kspring),
CFG_SIMPLE_FLOAT("stepsize",&stepsize),
CFG_SIMPLE_INT("nxmax", &ncxmax),
CFG_SIMPLE_INT("nymax", &ncymax),
@@ -689,12 +703,16 @@
vesicle->nshell=nshell;
vesicle->dmax=dmax*dmax;
vesicle->bending_rigidity=xk0;
+ vtx_set_global_values(vesicle); //copies xk0 to every vertex
+
+
vesicle->stepsize=stepsize;
vesicle->clist->ncmax[0]=ncxmax;
vesicle->clist->ncmax[1]=ncymax;
vesicle->clist->ncmax[2]=nczmax;
vesicle->clist->max_occupancy=8;
-
+ vesicle->pressure=pressure/vesicle->bending_rigidity; //all energy contributions need to be divided by bending_rigidity!
+ vesicle->pswitch=pswitch;
cfg_free(cfg);
free(buf);
// fprintf(stderr,"NSHELL=%u\n",vesicle->nshell);
--
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