From d33abe246221255be91bacda79f5852b8c4ed8fd Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 08 Dec 2013 17:47:21 +0000
Subject: [PATCH] Triangles are ordered in the bond now. Also kp and km are found as adjvtx. They are also ordered.
---
src/sh.c | 71 +++++++++++++++++++++++++++++++----
1 files changed, 62 insertions(+), 9 deletions(-)
diff --git a/src/sh.c b/src/sh.c
index 84aafdc..0c4b06d 100644
--- a/src/sh.c
+++ b/src/sh.c
@@ -9,7 +9,7 @@
ts_uint j,i;
ts_spharm *sph=(ts_spharm *)malloc(sizeof(ts_spharm));
-
+ sph->N=0;
/* lets initialize Ylm for each vertex. */
sph->Ylmi=(ts_double ***)calloc(l,sizeof(ts_double **));
for(i=0;i<l;i++){
@@ -25,6 +25,11 @@
sph->ulm[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
}
+ /* lets initialize sum of Ulm2 */
+ sph->sumUlm2=(ts_double **)calloc(l,sizeof(ts_double *));
+ for(j=0;j<l;j++){
+ sph->sumUlm2[j]=(ts_double *)calloc(2*j+1,sizeof(ts_double));
+ }
/* lets initialize co */
//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!
@@ -46,6 +51,7 @@
int i,j;
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]);
if(sph->co[i]!=NULL) free(sph->co[i]);
}
if(sph->co[sph->l]!=NULL) free(sph->co[sph->l]);
@@ -69,7 +75,7 @@
}
/* Gives you legendre polynomials. Taken from NR, p. 254 */
-ts_double plgndr(ts_int l, ts_int m, ts_float x){
+ts_double plgndr(ts_int l, ts_int m, ts_double x){
ts_double fact, pll, pmm, pmmp1, somx2;
ts_int i,ll;
@@ -143,7 +149,16 @@
}
-/*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;
@@ -223,6 +238,7 @@
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;
@@ -265,7 +281,7 @@
r=sqrtl(cvtx->x*cvtx->x+cvtx->y*cvtx->y+cvtx->z*cvtx->z);
#endif
cvtx->relR=(r-r0)/r0;
- cvtx->solAngle=cvtx->projArea/cvtx->relR * cvtx->projArea/cvtx->relR;
+ cvtx->solAngle=cvtx->projArea/r/r;
}
return TS_SUCCESS;
}
@@ -273,7 +289,7 @@
ts_bool calculateYlmi(ts_vesicle *vesicle){
- ts_uint i,j,k;
+ ts_int i,j,k;
ts_spharm *sph=vesicle->sphHarmonics;
ts_coord *coord=(ts_coord *)malloc(sizeof(ts_coord));
ts_double fi, theta;
@@ -288,11 +304,30 @@
for(i=1; i<sph->l; i++){
for(j=0;j<i;j++){
m=j+1;
+//Nastudiraj!!!!!
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));
+ if(i==2 && j==0){
+ /* fprintf(stderr," **** vtx %d ****\n", k+1);
+ fprintf(stderr,"m-i-1 =%d\n",m-i-1);
+ fprintf(stderr,"fi =%e\n",fi);
+ fprintf(stderr,"(m-i-1)*fi =%e\n",((ts_double)(m-i-1))*fi);
+ fprintf(stderr,"-2*fi =%e\n",-2*fi);
+ fprintf(stderr,"m =%d\n",m);
+
+ fprintf(stderr," cos(m-i-1)=%e\n",cos((m-i-1)*fi));
+ fprintf(stderr," cos(-2*fi)=%e\n",cos(-2*fi));
+ fprintf(stderr," sph->co[i][m]=%e\n",sph->co[i][m]);
+ fprintf(stderr," plgndr(i,abs(m-i-1),cos(theta))=%e\n",plgndr(i,abs(m-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++){
+//Nastudiraj!!!!!
+ j=i;
+ m=j+1;
+ sph->Ylmi[i][j][k]=sph->co[i][m]*plgndr(i,0,cos(theta));
+ for(j=i+1;j<2*i+1;j++){
m=j+1;
+//Nastudiraj!!!!!
sph->Ylmi[i][j][k]=sph->co[i][m]*sin((m-i-1)*fi)*plgndr(i,m-i-1,cos(theta));
}
}
@@ -308,7 +343,7 @@
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 !!!
@@ -317,7 +352,7 @@
for(k=0;k<vesicle->vlist->n; k++){
cvtx=vesicle->vlist->vtx[k];
for(i=0;i<vesicle->sphHarmonics->l;i++){
- for(j=0;j<2*i;j++){
+ for(j=0;j<2*i+1;j++){
vesicle->sphHarmonics->ulm[i][j]+= cvtx->solAngle*cvtx->relR*vesicle->sphHarmonics->Ylmi[i][j][k];
}
@@ -326,3 +361,21 @@
return TS_SUCCESS;
}
+
+
+
+
+
+ts_bool storeUlm2(ts_vesicle *vesicle){
+
+ts_spharm *sph=vesicle->sphHarmonics;
+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;
+}
--
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