From 6487a03362d35589c286d0660eba123a7ab00535 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 10 May 2021 11:14:04 +0000
Subject: [PATCH] Raj and Yoav session in making multiple protein species
---
src/shcomplex.c | 35 +++++++++++++++++++++++++++++------
1 files changed, 29 insertions(+), 6 deletions(-)
diff --git a/src/shcomplex.c b/src/shcomplex.c
index 7afe27e..4090346 100644
--- a/src/shcomplex.c
+++ b/src/shcomplex.c
@@ -1,5 +1,7 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<math.h>
#include<stdlib.h>
+#include<string.h>
#include<gsl/gsl_complex.h>
#include<gsl/gsl_complex_math.h>
#include<gsl/gsl_sf_legendre.h>
@@ -68,7 +70,7 @@
if(sph->co != NULL) free(sph->co);
if(sph->ulm !=NULL) free(sph->ulm);
if(sph->ulmComplex !=NULL) free(sph->ulmComplex);
-
+ if(sph->sumUlm2 !=NULL) free(sph->sumUlm2);
if(sph->Ylmi!=NULL) {
for(i=0;i<sph->l;i++){
if(sph->Ylmi[i]!=NULL){
@@ -116,6 +118,27 @@
return TS_SUCCESS;
}
+char *Ulm2Complex2String(ts_vesicle *vesicle){
+ ts_int i,j;
+ char *strng=(char *)calloc(5000, sizeof(char));
+ char tmpstrng[255];
+ for(i=0;i<vesicle->sphHarmonics->l;i++){
+ for(j=i;j<2*i+1;j++){
+ sprintf(tmpstrng,"%e ", gsl_complex_abs2(vesicle->sphHarmonics->ulmComplex[i][j]));
+ strcat(strng,tmpstrng);
+ }
+ }
+ //strcat(strng,"\n");
+
+ return strng;
+}
+
+ts_bool freeUlm2String(char *strng){
+ free(strng);
+ return TS_SUCCESS;
+}
+
+
ts_bool storeUlmComplex2(ts_vesicle *vesicle){
ts_spharm *sph=vesicle->sphHarmonics;
@@ -130,9 +153,9 @@
}
-ts_double calculateKc(ts_vesicle *vesicle){
- ts_int min=4;
- ts_int max=vesicle->sphHarmonics->l-6;
+ts_double calculateKc(ts_vesicle *vesicle, ts_int lmin, ts_int lmax){
+ ts_int min=lmin;
+ ts_int max=lmax; //vesicle->sphHarmonics->l-3;
ts_long i,j;
ts_double retval, bval;
gsl_matrix *A=gsl_matrix_alloc(max-min,2);
@@ -146,7 +169,7 @@
for(i=min;i<max;i++){
gsl_matrix_set(A, i-min,0,(ts_double)((i-1)*(i+2)));
gsl_matrix_set(A, i-min,1,(ts_double)((i-1)*(i+2)*(i+1)*i));
- fprintf(stderr,"%e %e\n", gsl_matrix_get(A,i-min,0), gsl_matrix_get(A,i-min,1));
+// fprintf(stderr,"%e %e\n", gsl_matrix_get(A,i-min,0), gsl_matrix_get(A,i-min,1));
bval=0.0;
//average for m from 0..l (only positive m's)
for(j=0;j<=i;j++){
@@ -155,7 +178,7 @@
bval=bval/(ts_double)vesicle->sphHarmonics->N/(ts_double)(i+1);
gsl_vector_set(b,i-min,1.0/bval);
- fprintf(stderr,"%e\n", 1.0/gsl_vector_get(b,i-min));
+// fprintf(stderr,"%e\n", 1.0/gsl_vector_get(b,i-min));
}
// fprintf(stderr,"b[2]=%e\n",gsl_vector_get(b,1));
gsl_linalg_QR_decomp(A,tau);
--
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