From 620ba72765eda244ca3f3806b8ad709929e74b3c Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 21 Jun 2018 10:50:23 +0000
Subject: [PATCH] Isak's proposal for stretching energy calculation, take 1
---
src/sh.c | 57 +++++++++++++++++++++++++++++++++++++++++++++++++++++----
1 files changed, 53 insertions(+), 4 deletions(-)
diff --git a/src/sh.c b/src/sh.c
index 5952d39..3f64939 100644
--- a/src/sh.c
+++ b/src/sh.c
@@ -1,8 +1,10 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<math.h>
#include<stdlib.h>
#include "general.h"
#include "sh.h"
-
+#include "io.h"
+#include <string.h>
ts_spharm *sph_init(ts_vertex_list *vlist, ts_uint l){
@@ -49,6 +51,7 @@
ts_bool sph_free(ts_spharm *sph){
int i,j;
+ if(sph==NULL) return TS_FAIL;
for(i=0;i<sph->l;i++){
if(sph->ulm[i]!=NULL) free(sph->ulm[i]);
if(sph->sumUlm2[i]!=NULL) free(sph->sumUlm2[i]);
@@ -189,7 +192,7 @@
K=-sqrt(1.0/(M_PI))*cos(m*fi);
}
- return K*sqrt((2.0*l+1.0)/2.0*fac1/fac2)*plgndr(l,abs(m),cos(theta));
+ return K*sqrt((2.0*l+1.0)/2.0*(ts_double)(fac1/fac2))*plgndr(l,abs(m),cos(theta));
}
@@ -200,7 +203,7 @@
#ifdef TS_DOUBLE_DOUBLE
coord->e1=sqrt(x*x+y*y+z*z);
if(z==0) coord->e3=M_PI/2.0;
- else coord->e3=atan(sqrt(x*x+y*y)/z);
+ else coord->e3=atan2(sqrt(x*x+y*y),z);
coord->e2=atan2(y,x);
#endif
#ifdef TS_DOUBLE_FLOAT
@@ -218,6 +221,23 @@
return TS_SUCCESS;
}
+
+
+ts_bool sph2cart(ts_coord *coord){
+ coord->coord_type=TS_COORD_CARTESIAN;
+ ts_double x,y,z;
+
+ x=coord->e1*cos(coord->e2)*sin(coord->e3);
+ y=coord->e1*sin(coord->e2)*sin(coord->e3);
+ z=coord->e1*cos(coord->e3);
+
+ coord->e1=x;
+ coord->e2=y;
+ coord->e3=z;
+
+ return TS_SUCCESS;
+}
+
/* Function returns radius of the sphere with the same volume as vesicle (r0) */
ts_double getR0(ts_vesicle *vesicle){
@@ -238,6 +258,7 @@
ts_bool preparationSh(ts_vesicle *vesicle, ts_double r0){
//TODO: before calling or during the call calculate area of each triangle! Can
//be also done after vertexmove and bondflip //
+//DONE: in energy calculation! //
ts_uint i,j;
ts_vertex **vtx=vesicle->vlist->vtx;
ts_vertex *cvtx;
@@ -342,7 +363,7 @@
ts_uint i,j,k;
ts_vertex *cvtx;
for(i=0;i<vesicle->sphHarmonics->l;i++){
- for(j=0;j<2*i;j++) vesicle->sphHarmonics->ulm[i][j]=0.0;
+ for(j=0;j<2*i+1;j++) vesicle->sphHarmonics->ulm[i][j]=0.0;
}
//TODO: call calculateYlmi !!!
@@ -371,9 +392,37 @@
ts_int i,j;
for(i=0;i<sph->l;i++){
for(j=0;j<2*i+1;j++){
+ /* DEBUG fprintf(stderr,"sph->sumUlm2[%d][%d]=%e\n",i,j,sph->ulm[i][j]* sph->ulm[i][j]); */
sph->sumUlm2[i][j]+=sph->ulm[i][j]* sph->ulm[i][j];
}
}
sph->N++;
return TS_SUCCESS;
}
+
+
+ts_bool saveAvgUlm2(ts_vesicle *vesicle){
+
+ FILE *fh;
+ char filename[10000];
+ strcpy(filename, command_line_args.path);
+ strcat(filename, "sph2out.dat");
+ fh=fopen(filename, "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);
+
+ }
+ fprintf(fh,"\n");
+ }
+ fclose(fh);
+ return TS_SUCCESS;
+}
--
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