From c9d07c3cae70179c3045b92b7dc04f0d2ebcfb89 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 14 Jun 2012 08:28:19 +0000
Subject: [PATCH] Lastly before debugging. We calculated the area of each triangle, volume function has been changed and data structure adapted for area calculation
---
src/sh.c | 95 +++++++++++++++++++++++++++++------------------
1 files changed, 58 insertions(+), 37 deletions(-)
diff --git a/src/sh.c b/src/sh.c
index 712fbf4..cc4d148 100644
--- a/src/sh.c
+++ b/src/sh.c
@@ -6,20 +6,20 @@
ts_spharm *sph_init(ts_vertex_list *vlist, ts_uint l){
- ts_uint k,j;
+ ts_uint j,i;
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 Ylm for each vertex. */
+ sph->Ylmi=(ts_double ***)calloc(l,sizeof(ts_double **));
+ for(i=0;i<l;i++){
+ sph->Ylmi[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *));
+ for(j=0;j<(2*i+1);j++){
+ sph->Ylmi[i][j]=(ts_double *)calloc(vlist->n,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));
@@ -27,36 +27,43 @@
/* 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));
+//NOTE: C is has zero based indexing. Code is imported from fortran and to comply with original indexes we actually generate one index more. Also second dimension is 2*j+2 instead of 2*j+2. elements starting with 0 are useles and should be ignored!
+ sph->co=(ts_double **)calloc(l+1,sizeof(ts_double *));
+ for(j=0;j<=l;j++){
+ sph->co[j]=(ts_double *)calloc(2*j+2,sizeof(ts_double));
}
-
- /* Calculate coefficients that will remain constant during all the simulation */
- precomputeShCoeff(sph);
+ sph->l=l;
+
+ /* 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;
+ts_bool sph_free(ts_spharm *sph){
+ int i,j;
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[sph->l]!=NULL) free(sph->co[sph->l]);
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) {
+ if(sph->Ylmi!=NULL) {
for(i=0;i<sph->l;i++){
- if(vlist->vtx[k]->Ylm[i]!=NULL) free(vlist->vtx[k]->Ylm[i]);
+ if(sph->Ylmi[i]!=NULL){
+ for(j=0;j<i*2+1;j++){
+ if(sph->Ylmi[i][j]!=NULL) free (sph->Ylmi[i][j]);
+ }
+ free(sph->Ylmi[i]);
+ }
}
- free(vlist->vtx[k]->Ylm);
+ free(sph->Ylmi);
}
- }
+
free(sph);
return TS_SUCCESS;
}
@@ -113,20 +120,22 @@
}
+/** @brief: Precomputes coefficients that are required for spherical harmonics computations.
+*/
ts_bool precomputeShCoeff(ts_spharm *sph){
ts_int i,j,al,am;
ts_double **co=sph->co;
- for(i=0;i<sph->l;i++){
- al=i+1;
+ for(i=1;i<=sph->l;i++){
+ al=i;
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));
+ for(j=1;j<=i-1;j++){
+ am=j;
+ sph->co[i][i+1+j]=co[i][i+j]*sqrt(1.0/(al-am+1.0)/(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][2*i+1]=co[i][2*i]*sqrt(1.0/(2.0*al));
+ co[i][1]=co[i][2*i+1];
co[i][i+1]=sqrt((2.0*al+1.0)/4.0/M_PI);
}
return TS_SUCCESS;
@@ -134,7 +143,16 @@
}
-/*Computes Y(l,m,theta,fi) (Miha's definition that is different from common definition for factor srqt(1/(2*pi)) */
+/** @brief: Computes Y(l,m,theta,fi)
+ *
+ * Function calculates Y^l_m for vertex with given (\theta, \fi) coordinates in
+ * spherical coordinate system.
+ * @param l is an ts_int argument.
+ * @param m is an ts_int argument.
+ * @param theta is ts_double argument.
+ * @param fi is a ts_double argument.
+ *
+ * (Miha's definition that is different from common definition for factor srqt(1/(2*pi)) */
ts_double shY(ts_int l,ts_int m,ts_double theta,ts_double fi){
ts_double fac1, fac2, K;
int i;
@@ -268,20 +286,23 @@
ts_spharm *sph=vesicle->sphHarmonics;
ts_coord *coord=(ts_coord *)malloc(sizeof(ts_coord));
ts_double fi, theta;
+ ts_int m;
ts_vertex *cvtx;
for(k=0;k<vesicle->vlist->n;k++){
cvtx=vesicle->vlist->vtx[k];
- cvtx->Ylm[0][0]=sqrt(1.0/4.0/M_PI);
+ sph->Ylmi[0][0][k]=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(i=1; i<sph->l; i++){
for(j=0;j<i;j++){
- 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));
+ m=j+1;
+ sph->Ylmi[i][j][k]=sph->co[i][m]*cos((m-i-1)*fi)*pow(-1,m-i-1)*plgndr(i,abs(m-i-1),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++){
- cvtx->Ylm[i][j]=sph->co[i][j]*sin((j-i-1)*fi)*plgndr(i,j-i-1,cos(theta));
+ sph->Ylmi[i][j+1][k]=sph->co[i][m+1]*plgndr(i,0,cos(theta));
+ for(j=i+1;j<2*i;j++){
+ m=j+1;
+ sph->Ylmi[i][j][k]=sph->co[i][m]*sin((m-i-1)*fi)*plgndr(i,m-i-1,cos(theta));
}
}
@@ -306,7 +327,7 @@
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*cvtx->Ylm[i][j];
+ vesicle->sphHarmonics->ulm[i][j]+= cvtx->solAngle*cvtx->relR*vesicle->sphHarmonics->Ylmi[i][j][k];
}
}
--
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