From 074a178761daa61a419ef9c2f38f9cd7adc0cdc7 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 07 Jun 2012 13:25:08 +0000
Subject: [PATCH] Added sh_init and sh_free for given datastructure.
---
src/vertex.c | 12 +++++
src/sh.h | 2 +
src/sh.c | 87 ++++++++++++++++++++++++++++++++++++++-----
3 files changed, 90 insertions(+), 11 deletions(-)
diff --git a/src/sh.c b/src/sh.c
index 055a3c0..712fbf4 100644
--- a/src/sh.c
+++ b/src/sh.c
@@ -3,6 +3,64 @@
#include "general.h"
#include "sh.h"
+
+
+ts_spharm *sph_init(ts_vertex_list *vlist, ts_uint l){
+ ts_uint k,j;
+ ts_spharm *sph=(ts_spharm *)malloc(sizeof(ts_spharm));
+
+ /* lets initialize Ylm for each vertex. Data is stored in vertices */
+ for(k=0;k<vlist->n;k++){
+ vlist->vtx[k]->Ylm=(ts_double **)calloc(l,sizeof(ts_double *));
+ for(j=0;j<l;j++){
+ vlist->vtx[k]->Ylm[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
+ }
+ }
+
+
+ /* lets initialize ulm */
+
+ sph->ulm=(ts_double **)calloc(l,sizeof(ts_double *));
+ for(j=0;j<l;j++){
+ sph->ulm[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
+ }
+
+
+ /* lets initialize co */
+
+ sph->co=(ts_double **)calloc(l,sizeof(ts_double *));
+ for(j=0;j<l;j++){
+ sph->co[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
+ }
+
+ /* Calculate coefficients that will remain constant during all the simulation */
+ precomputeShCoeff(sph);
+
+ return sph;
+}
+
+
+ts_bool sph_free(ts_spharm *sph, ts_vertex_list *vlist){
+ int i,k;
+ for(i=0;i<sph->l;i++){
+ if(sph->ulm[i]!=NULL) free(sph->ulm[i]);
+ if(sph->co[i]!=NULL) free(sph->co[i]);
+ }
+ if(sph->co != NULL) free(sph->co);
+ if(sph->ulm !=NULL) free(sph->ulm);
+
+ for(k=0;k<vlist->n;k++){
+ if(vlist->vtx[k]->Ylm!=NULL) {
+ for(i=0;i<sph->l;i++){
+ if(vlist->vtx[k]->Ylm[i]!=NULL) free(vlist->vtx[k]->Ylm[i]);
+ }
+ free(vlist->vtx[k]->Ylm);
+ }
+ }
+ free(sph);
+ return TS_SUCCESS;
+}
+
/* Gives you legendre polynomials. Taken from NR, p. 254 */
ts_double plgndr(ts_int l, ts_int m, ts_float x){
ts_double fact, pll, pmm, pmmp1, somx2;
@@ -57,12 +115,19 @@
ts_bool precomputeShCoeff(ts_spharm *sph){
- ts_uint i,j;
+ ts_int i,j,al,am;
+ ts_double **co=sph->co;
for(i=0;i<sph->l;i++){
- sph->co[i][i]=sqrt((2.0*i+1.0)/2.0/M_PI);
- for(j=0;j<i-1;j++){
-
+ al=i+1;
+ sph->co[i][i+1]=sqrt((2.0*al+1.0)/2.0/M_PI);
+ for(j=0;j<al;j++){
+ am=j+1;
+ sph->co[i][i+1+j]=co[i][i+j]*sqrt(1.0/(al-am+1)/(al+am));
+ sph->co[i][i+1-j]=co[i][i+1+j];
}
+ co[i][2*i]=co[i][2*i]*sqrt(1.0/(2.0*al));
+ co[i][0]=co[i][2*i+1];
+ co[i][i+1]=sqrt((2.0*al+1.0)/4.0/M_PI);
}
return TS_SUCCESS;
@@ -203,18 +268,20 @@
ts_spharm *sph=vesicle->sphHarmonics;
ts_coord *coord=(ts_coord *)malloc(sizeof(ts_coord));
ts_double fi, theta;
+ ts_vertex *cvtx;
for(k=0;k<vesicle->vlist->n;k++){
- sph->Ylmi[0][0][k]=sqrt(1.0/4.0/M_PI);
- cart2sph(coord,vesicle->vlist->vtx[k]->x, vesicle->vlist->vtx[k]->y, vesicle->vlist->vtx[k]->z);
+ cvtx=vesicle->vlist->vtx[k];
+ cvtx->Ylm[0][0]=sqrt(1.0/4.0/M_PI);
+ cart2sph(coord,cvtx->x, cvtx->y, cvtx->z);
fi=coord->e2;
theta=coord->e3;
for(i=0; i<sph->l; i++){
for(j=0;j<i;j++){
- sph->Ylmi[i][j][k]=sph->co[i][j]*cos((j-i-1)*fi)*pow(-1,j-i-1)*plgndr(i,abs(j-i-1),cos(theta));
+ cvtx->Ylm[i][j]=sph->co[i][j]*cos((j-i-1)*fi)*pow(-1,j-i-1)*plgndr(i,abs(j-i-1),cos(theta));
}
- sph->Ylmi[i][j+1][k]=sph->co[i][j+1]*plgndr(i,0,cos(theta));
+ cvtx->Ylm[i][j+1]=sph->co[i][j+1]*plgndr(i,0,cos(theta));
for(j=sph->l;j<2*i;j++){
- sph->Ylmi[i][j][k]=sph->co[i][j]*sin((j-i-1)*fi)*plgndr(i,j-i-1,cos(theta));
+ cvtx->Ylm[i][j]=sph->co[i][j]*sin((j-i-1)*fi)*plgndr(i,j-i-1,cos(theta));
}
}
@@ -239,7 +306,7 @@
cvtx=vesicle->vlist->vtx[k];
for(i=0;i<vesicle->sphHarmonics->l;i++){
for(j=0;j<2*i;j++){
- vesicle->sphHarmonics->ulm[i][j]+= cvtx->solAngle*cvtx->relR*vesicle->sphHarmonics->Ylmi[i][j][k];
+ vesicle->sphHarmonics->ulm[i][j]+= cvtx->solAngle*cvtx->relR*cvtx->Ylm[i][j];
}
}
diff --git a/src/sh.h b/src/sh.h
index 1255f52..e667b3e 100644
--- a/src/sh.h
+++ b/src/sh.h
@@ -6,4 +6,6 @@
ts_double shY(ts_int l,ts_int m,ts_double theta,ts_double fi);
+ts_bool precomputeShCoeff(ts_spharm *sph);
+
#endif
diff --git a/src/vertex.c b/src/vertex.c
index 4a6aeb9..21ad48e 100644
--- a/src/vertex.c
+++ b/src/vertex.c
@@ -23,6 +23,17 @@
for(i=0;i<N;i++) {
vlist->vtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex));
vlist->vtx[i]->idx=i;
+
+ /* initialize Ylm for spherical hamonics DONE in sh.c */
+/* for(i=0;i<l;i++){
+ vlist->vtx[i]->Ylm[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *));
+ for(j=0;j<(2*i+1);j++){
+ clist->vtx[i]->Ylm[i][j]=(ts_double *)calloc(sizeof(ts_double));
+ }
+ }
+*/
+
+
}
vlist->n=N;
return vlist;
@@ -131,7 +142,6 @@
if(vtx->neigh!=NULL) free(vtx->neigh);
if(vtx->tristar!=NULL) free(vtx->tristar);
if(vtx->bond!=NULL) free(vtx->bond);
-
free(vtx);
return TS_SUCCESS;
}
--
Gitblit v1.9.3