From aede7e0121a037fd7226a8bfd558eb21a932fa5a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 14 Aug 2019 21:30:25 +0000
Subject: [PATCH] Added additional functions to ease Ulm2 poststating
---
src/spherical_trisurf.c | 84 ++++++++++++++++++++++++------------------
1 files changed, 48 insertions(+), 36 deletions(-)
diff --git a/src/spherical_trisurf.c b/src/spherical_trisurf.c
index f81e45d..06a84f4 100644
--- a/src/spherical_trisurf.c
+++ b/src/spherical_trisurf.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdio.h>
#include<math.h>
#include "general.h"
@@ -19,11 +20,14 @@
*/
ts_bool saveAvgUlm2(ts_vesicle *vesicle);
int main(int argv, char *argc[]){
-ts_uint i,j;
+ts_uint i,j,k;
ts_vesicle *vesicle;
ts_double r0;
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);
+
+//similar to nmax in fortran code
+ts_uint nmax;
//these four must come from parsetype!
vesicle->dmax=1.67*1.67;
@@ -32,6 +36,22 @@
vesicle->bending_rigidity=25.0;
//fprintf(stderr,"xk=%f",vesicle->bending_rigidity);
+ centermass(vesicle);
+cell_occupation(vesicle);
+
+//test if the structure is internally organized into cells correctly
+ts_uint cind;
+for(i=0;i<vesicle->vlist->n;i++){
+ cind=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]);
+
+ if(vesicle->clist->cell[cind]==vesicle->vlist->vtx[i]->cell){
+ //fprintf(stdout,"(T) Idx match!\n");
+ } else {
+ fprintf(stderr,"(T) ***** Idx don't match!\n");
+
+ }
+}
+//end test
vesicle->sphHarmonics=sph_init(vesicle->vlist, 21);
vesicle_volume(vesicle);
@@ -41,27 +61,41 @@
calculateYlmi(vesicle);
calculateUlm(vesicle);
-
-
-for(i=0;i<10;i++){
- centermass(vesicle);
+//preloop:
+ts_double vmsr, bfsr;
+for(i=0;i<1000;i++){
cell_occupation(vesicle);
for(j=0;j<1000;j++){
- single_timestep(vesicle);
+ single_timestep(vesicle, &vmsr, &bfsr);
}
-vesicle_volume(vesicle);
-r0=getR0(vesicle);
+ centermass(vesicle);
+ fprintf(stderr, "Preloop %d completed.\n",i+1);
+}
-preparationSh(vesicle,r0);
-calculateYlmi(vesicle);
-calculateUlm(vesicle);
+nmax=1000;
+for(i=0;i<nmax;i++){
+ for(j=0;j<200;j++){
+ cell_occupation(vesicle);
+ for(k=0;k<5;k++){
+ single_timestep(vesicle, &vmsr, &bfsr);
+ }
+ centermass(vesicle);
+ }
+ vesicle_volume(vesicle);
+ r0=getR0(vesicle);
-storeUlm2(vesicle);
-saveAvgUlm2(vesicle);
+ preparationSh(vesicle,r0);
+ calculateYlmi(vesicle);
+ calculateUlm(vesicle);
+
+ storeUlm2(vesicle);
+ saveAvgUlm2(vesicle);
write_vertex_xml_file(vesicle,i);
- fprintf(stderr, "Loop %d completed.\n",i+1);
+ fprintf(stderr, "Loop %d out of %d completed.\n",i+1,nmax);
+
}
+
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
@@ -71,25 +105,3 @@
-ts_bool saveAvgUlm2(ts_vesicle *vesicle){
-
- FILE *fh;
-
- fh=fopen("sph2out.dat", "w");
- if(fh==NULL){
- err("Cannot open file %s for writing");
- return TS_FAIL;
- }
-
- ts_spharm *sph=vesicle->sphHarmonics;
- ts_int i,j;
- fprintf(fh,"l,\tm,\tulm^2avg\n");
- for(i=0;i<sph->l;i++){
- for(j=0;j<2*i+1;j++){
- fprintf(fh,"%d,\t%d,\t%e\n", i, j-i, sph->sumUlm2[i][j]/(ts_double)sph->N);
-
- }
- }
- fclose(fh);
- return TS_SUCCESS;
-}
--
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