From 6487a03362d35589c286d0660eba123a7ab00535 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 10 May 2021 11:14:04 +0000
Subject: [PATCH] Raj and Yoav session in making multiple protein species
---
src/io.c | 49 ++++++++++++++++++++++++++++++-------------------
1 files changed, 30 insertions(+), 19 deletions(-)
diff --git a/src/io.c b/src/io.c
index 30bd4d6..034207b 100644
--- a/src/io.c
+++ b/src/io.c
@@ -424,7 +424,8 @@
vesicle->tape=parsetape(command_line_args.tape_fullfilename);
// recreating space for cells //
vesicle->clist=init_cell_list(vesicle->tape->ncxmax, vesicle->tape->ncymax, vesicle->tape->nczmax, vesicle->tape->stepsize);
- vesicle->clist->max_occupancy=16;
+//THIS IS HARDCODED IN CELL.C NOW
+// vesicle->clist->max_occupancy=16;
// vesicle->tape=(ts_tape *)malloc(sizeof(ts_tape));
// retval=fread(vesicle->tape, sizeof(ts_tape),1,fh);
retval=fread(iteration,sizeof(ts_uint),1,fh);
@@ -750,22 +751,6 @@
}
-ts_bool write_dout_fcompat_file(ts_vesicle *vesicle, ts_char *filename){
- FILE *fh;
- fh=fopen(filename, "w");
- if(fh==NULL){
- err("Cannot open file %s for writing");
- return TS_FAIL;
- }
- fprintf(fh,"%.17E\n%.17E\n",vesicle->stepsize,vesicle->dmax);
- fprint_vertex_list(fh,vesicle->vlist);
- fprint_tristar(fh,vesicle);
- fprint_triangle_list(fh,vesicle);
- fprint_vertex_data(fh,vesicle->vlist);
- fprint_bonds(fh,vesicle);
- fclose(fh);
- return TS_SUCCESS;
-}
ts_bool read_tape_fcompat_file(ts_vesicle *vesicle, ts_char *filename){
FILE *fh;
@@ -845,7 +830,8 @@
ts_uint monono=0, polyno=0, poly_idx=0, filno=0, fonono=0;
ts_bool poly=0, fil=0;
if(vesicle->poly_list!=NULL){
- if(vesicle->poly_list->poly[0]!=NULL){
+ if(vesicle->poly_list->n!=0){
+ //if(vesicle->poly_list->poly[0]!=NULL){
polyno=vesicle->poly_list->n;
monono=vesicle->poly_list->poly[0]->vlist->n;
poly=1;
@@ -853,7 +839,8 @@
}
if(vesicle->filament_list!=NULL){
- if(vesicle->filament_list->poly[0]!=NULL){
+ if(vesicle->filament_list->n!=0){
+ //if(vesicle->filament_list->poly[0]!=NULL){
filno=vesicle->filament_list->n;
fonono=vesicle->filament_list->poly[0]->vlist->n;
fil=1;
@@ -948,6 +935,30 @@
}
}
fprintf(fh,"</DataArray>\n");
+ fprintf(fh,"<DataArray type=\"Float64\" Name=\"direct_interaction_force\" format=\"ascii\">");
+ for(i=0;i<vlist->n;i++){
+ fprintf(fh,"%.17e ",vtx[i]->direct_interaction_force);
+ }
+ //polymeres
+ if(poly){
+ poly_idx=vlist->n;
+ for(i=0;i<vesicle->poly_list->n;i++){
+ for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++,poly_idx++){
+ fprintf(fh,"%.17e ", vesicle->poly_list->poly[i]->vlist->vtx[j]->direct_interaction_force);
+ }
+ }
+ }
+ //filaments
+ if(fil){
+ poly_idx=vlist->n+monono*polyno;
+ for(i=0;i<vesicle->filament_list->n;i++){
+ for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++,poly_idx++){
+ // fprintf(stderr,"was here\n");
+ fprintf(fh,"%.17e ", vesicle->filament_list->poly[i]->vlist->vtx[j]->direct_interaction_force);
+ }
+ }
+ }
+ fprintf(fh,"</DataArray>\n");
//here comes additional data. Energy!
fprintf(fh,"<DataArray type=\"Float64\" Name=\"bending_energy\" format=\"ascii\">");
--
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