/
gmm_final_002.c
500 lines (369 loc) · 17.4 KB
/
gmm_final_002.c
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#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <gsl/gsl_errno.h>
#include <gsl/gsl_matrix.h>
#include <gsl/gsl_odeiv2.h>
#define REDUCTOR_PREFACTOR 6.0
#define S 1026 /* 1025 ******** 256000 jeszcze pojdzie, potem core dump */
#define A_R (k_4*c_H) /* tak lub na odwrot, tym steruje przechodzac miedzy a_r i b_r */
#define B_R rho_0
#define STALA_DO_A_R 0.0 /* te dwa z programow do momentow, byl konflikt oznaczen */
#define STALA_DO_B_R 1.0
/*
* obecny program jest przerobka z:
* znajdujacego sie w katalogu GSL_ODE
*/
/*** historia ***/
/* Stara wersja automaton_002.c, ktora wczoraj (18 07 2012) sciagnalem z laptopa. Przerabiam ostroznie!
* Usuwam tablice i dodaje wypisywanie "co ktorys"
* Sprawdzam .....006.... dnia 02 08 2012, z notatkami analit. usprawniam (scalam sumy (petle for)).
* z tego powstal automaton_007_bis_gsl.c
*
*/
/* WHAT IS NEW AS COMPARED TO automaton_007_bis_gsl.c ? */
/* co robie? przerabiam na wzor ssm_final_001.c, czyli dodaje wypisywanie parametrow modelu, d_0 do parmetrow */
/* PROBLEM!!!! */
/* this program is dedicated to the special case of the kernels, and not to the most general one. Needs to be generalized (later! not now!) */
/*****************************************************************************
*****************************************************************************
*****************************************************************************/
/*const int S = 4; *//*alternatywa dla dyrektywy preprocesora powyzej */
const int N = 8000; /* ilosc odcinkow dlugosci h dzielacych zadany odcinek b - a */
const int co_ile_krokow_wypisuje = 1; /* co ile odcinkow dlugosci h nastepuje wypisanie wyniku */
double t1 = 800.0; /*final time*/
int n;
int i, k, l, p, q; /* for the 'for' loops */
/**** auxilliary variables *********/
long double av_a1, av_M0_1, av_M1_1, av_M1_2, av_M2_1, av_M2_2;
long double av_xi_1_1, av_xi_1_2, av_xi_k_1, av_xi_k_2, av_xi_k_3, av_xi_k_4;
long double av_xi_s_minus_1_1, av_xi_s_minus_1_2, av_xi_s_minus_1_3;
/* functions */
/******** < ... > **********/
long double mean(long double m_0, long double m_1, long double m_2);
/* function returning mean cluster size */
long double std_deviation(long double m_0, long double m_1, long double m_2);
/* function returning standard deviation of the cluster size */
/* the kernels */
long double K(int i_1, int i_2, long double kapp_0, long double kapp_1,
long double kapp_2);
long double F(int i_1, int i_2);
long double R(int i_1, double c_HH, double kk_4, double rho_00);
long double A_K(int i_1, long double kapp_0, long double kapp_1,
long double kapp_2);
long double B_K(int i_1, long double kapp_0, long double kapp_1,
long double kapp_2);
/*parameters of the model. I add d_0 as in ssm_final_001.c */
struct rparams
{
const double c1; /* kappa_0 */
const double c2; /* kappa_1 */
const double c3; /* kappa_2 */
const double c4; /* c_0 */
const double c5; /* c_H (concentration of hydrazine, i.e., in general, the reducing agent */
const double c6; /* k_1 */
const double c7; /* k_3 */
const double c8; /* k_4 */
const double c9; /* rho_0 */
const double c10; /* d_0 *//*initial c_a, needed for a two-step WF */
};
int func(double t, const double y[], double f[], void *params)
{
double kappa_0 = ((struct rparams *) params)->c1;
double kappa_1 = ((struct rparams *) params)->c2;
double kappa_2 = ((struct rparams *) params)->c3;
double c_0 = ((struct rparams *) params)->c4;
double c_H = ((struct rparams *) params)->c5;
double k_1 = ((struct rparams *) params)->c6;
double k_3 = ((struct rparams *) params)->c7;
double k_4 = ((struct rparams *) params)->c8;
double rho_0 = ((struct rparams *) params)->c9;
/* Dodane dopiero w tym programie, stad nie po kolei: */
double d_0 = ((struct rparams *) params)->c10; /*initial c_a, needed for a two-step WF */
/* duze S tu to male s w rachunkach */
/* S + 4 equations for y[0] = c_p, y[i] = \xi_i, i = 1, ......., S-1, y[S] = M_0, y[S+1] = M_0, y[S+2] = M_2, , y[S+3] = c_a */
/********* c pi or y[0] ******************************/
f[0] = -(k_1 * c_H) * y[0];
/********* y[1] or xi_1 *******************************/
av_xi_1_1 = 0.0;
for (l = 1; l < S; l++) {
av_xi_1_1 = av_xi_1_1 + K(1, l, kappa_0, kappa_1, kappa_2) * y[l];
}
av_xi_1_2 = 0.0;
for (p = 2; p < S; p++) {
av_xi_1_2 = av_xi_1_2 + F(1, p - 1) * y[p];
}
f[1] = ((k_3 * c_H) - R(1, c_H, k_4, rho_0) * y[1]) * y[S + 3]
- y[1]
* (av_xi_1_1
+ (A_K(1, kappa_0, kappa_1, kappa_2) * y[S + 1]
+ B_K(1, kappa_0, kappa_1, kappa_2) * y[S]))
+ av_xi_1_2;
/********* xi_k, k from to s-2. !!! k = s-1 treated separately *******************************/
av_xi_k_1 = 0.0; /* related to 0.5 * K[i][k-i] * y[i] * y[k-i]*/
av_xi_k_2 = 0.0; /* related to - 0.5 * F[i][k-i]*/
av_xi_k_3 = 0.0; /* related to - K[k][l] * y[l] * y[k] */
av_xi_k_4 = 0.0;
for (k = 2; k < S - 1; k++)
{
av_xi_k_1 = 0.0; /* related to 0.5 * K[i][k-i] * y[i] * y[k-i]*/
av_xi_k_2 = 0.0; /* related to - 0.5 * F[i][k-i]*/
av_xi_k_3 = 0.0; /* related to - K[k][l] * y[l] * y[k] */
av_xi_k_4 = 0.0;
for (i = 1; i < k; i++)
{
av_xi_k_1 = av_xi_k_1
+ K(i, k - i, kappa_0, kappa_1, kappa_2) * y[i] * y[k - i];
av_xi_k_2 = av_xi_k_2 + F(i, k - i);
}
for (l = 1; l < S; l++)
{
av_xi_k_3 = av_xi_k_3 + K(l, k, kappa_0, kappa_1, kappa_2) * y[l];
}
for (l = k + 1; l < S; l++)
{
av_xi_k_4 = av_xi_k_4 + F(l - k, k) * y[l];
}
f[k] = (R(k - 1, c_H, k_4, rho_0) * y[k - 1]
- R(k, c_H, k_4, rho_0) * y[k]) * y[S + 3] + 0.5 * av_xi_k_1
- 0.5 * y[k] * av_xi_k_2
- y[k]
* (A_K(k, kappa_0, kappa_1, kappa_2) * y[S + 1]
+ B_K(k, kappa_0, kappa_1, kappa_2) * y[S]
+ av_xi_k_3) + av_xi_k_4;
} /* for po k */
/********* xi_k, k = s - 1 *******************************/
av_xi_s_minus_1_1 = 0.0; /* related to 0.5 * K[i][s_minus_1-i] * y[i] * y[s_minus_1-i]*/
av_xi_s_minus_1_2 = 0.0; /* related to - 0.5 * F[i][s_minus_1-i]*/
av_xi_s_minus_1_3 = 0.0; /* related to - K[s_minus_1][l] * y[l] * y[s_minus_1] */
for (i = 1; i < S - 1; i++)
{
av_xi_s_minus_1_1 = av_xi_s_minus_1_1
+ K(i, S - 1 - i, kappa_0, kappa_1, kappa_2) * y[i]
* y[S - 1 - i];
av_xi_s_minus_1_2 = av_xi_s_minus_1_2 + F(i, S - 1 - i);
}
for (l = 1; l < S; l++)
{
av_xi_s_minus_1_3 = av_xi_s_minus_1_3
+ K(l, S - 1, kappa_0, kappa_1, kappa_2) * y[l];
}
f[S - 1] = (R(S - 2, c_H, k_4, rho_0) * y[S - 2]
- R(S - 1, c_H, k_4, rho_0) * y[S - 1]) * y[S + 3]
+ 0.5 * av_xi_s_minus_1_1 - 0.5 * av_xi_s_minus_1_2 * y[S - 1]
- y[S - 1]
* (A_K(S - 1, kappa_0, kappa_1, kappa_2) * y[S + 1]
+ B_K(S - 1, kappa_0, kappa_1, kappa_2) * y[S]
+ av_xi_s_minus_1_3);
/********* M_0 or y[S] ******************************/
av_M0_1 = 0.0;
for (q = 1; q < S; q++)
{
for (i = q; i < S; i++)
{
av_M0_1 = av_M0_1
+ K(i, S - 1 + q - i, kappa_0, kappa_1, kappa_2) * y[i]
* y[S - 1 + q - i];
}
}
f[S] = R(S - 1, c_H, k_4, rho_0) * y[S - 1] * y[S + 3] + 0.5 * av_M0_1
- 0.5 * kappa_0 * y[S] * y[S] - kappa_1 * y[S] * y[S + 1]
- 0.5 * kappa_2 * y[S + 1] * y[S + 1];
/********* M_1 or y[S+1] ******************** pow(S-1.0 + q, 2.0) ***********/
av_M1_1 = 0.0;
for (q = 1; q < S; q++)
{
for (i = q; i < S; i++) {
av_M1_1 = av_M1_1
+ (S - 1.0 + (long double) q)
* K(i, S - 1 + q - i, kappa_0, kappa_1, kappa_2)
* y[i] * y[S - 1 + q - i];
}
}
av_M1_2 = 0.0;
for (l = 1; l < S; l++)
{
av_M1_2 = av_M1_2
+ (long double) l * y[l]
* (A_K(l, kappa_0, kappa_1, kappa_2) * y[S + 1]
+ B_K(l, kappa_0, kappa_1, kappa_2) * y[S]);
}
f[S + 1] = S * R(S - 1, c_H, k_4, rho_0) * y[S - 1] * y[S + 3]
+ y[S + 3] * (A_R * y[S + 1] + B_R * y[S]) + 0.5 * av_M1_1
+ av_M1_2;
/********* M_2 or y[S+2] ******************** pow(S-1.0 + q, 2.0) ***********/
av_M2_1 = 0.0;
for (q = 1; q < S; q++)
{
for (i = q; i < S; i++) {
av_M2_1 = av_M2_1
+ pow(S - 1.0 + q, 2.0)
* K(i, S - 1 + q - i, kappa_0, kappa_1, kappa_2)
* y[i] * y[S - 1 + q - i];
}
}
av_M2_2 = 0.0;
for (l = 1; l < S; l++)
{
av_M2_2 = av_M2_2
+ (long double) l * y[l]
* (2.0 * A_K(l, kappa_0, kappa_1, kappa_2) * y[S + 2]
+ (2.0 * B_K(l, kappa_0, kappa_1, kappa_2)
+ (long double) l
* A_K(l, kappa_0, kappa_1,
kappa_2)) * y[S + 1]
+ (long double) l
* B_K(l, kappa_0, kappa_1, kappa_2)
* y[S]);
}
f[S + 2] = pow(S, 2.0) * R(S - 1, c_H, k_4, rho_0) * y[S - 1] * y[S + 3]
+ y[S + 3]
* (2.0 * A_R * y[S + 2]
+ (2.0 * B_R + A_R)* y[S+1] + B_R * y[S])+ 0.5 *av_M2_1
+ av_M2_2
+ kappa_0 * y[S+1] * y[S+1] + 2.0 * kappa_1 * y[S+1] * y[S+2] + kappa_2 * y[S+2] * y[S+2]
;
/********* c alpha or y[S+3] ******************************/
av_a1 = 0.0;
for (i = 1; i < S; i++)
{
av_a1 = av_a1 + R(i, c_H, k_4, rho_0) * y[i];
}
f[S + 3] = (k_1 * c_H) * y[0]
- ((k_3 * c_H) + av_a1 + (A_R * y[S + 1] + B_R * y[S])) * y[S + 3];
return GSL_SUCCESS;
}
/***********************************************************************************************************
****************** M A I N **********************************************************
******************************************************************************************/
int main(void) {
FILE *fp; // create file stream
char filename[] = "outputfile.txt"; // file name here
// open the file:
if ((fp = fopen(filename, "w")) == NULL ) {
printf("I can't open the file for data save !!!\n");
exit(1);
}
/***************** the begining of the GSL part **************************/
/*kappa_0, kappa_1, kappa_2, c_0, c_H k_1, k_3, k_4, rho_0 = \tilde{k}_4, d_0*/
struct rparams p =
{ 0.0, 0.0, 0.0, 0.0 * 0.000075, REDUCTOR_PREFACTOR * 0.001, 0.0 * 1.188,
0.0387, STALA_DO_A_R * 7.53 * 100000, STALA_DO_B_R * 7.53 * 100
* REDUCTOR_PREFACTOR, 0.000075 };
gsl_odeiv2_system sys = { func, NULL, S + 4, &p }; /*gsl_odeiv2_step_rkf45 */
gsl_odeiv2_driver * d = gsl_odeiv2_driver_alloc_y_new(&sys,
gsl_odeiv2_step_rk8pd, 1e-16, 1e-16, 0.0);
int i;
double t = 0.0;
double y[S + 4]; /* tablica zmiennych zaleznych (stezenia, momenty) */
long double stand_M_0;
long double stand_M_1;
long double stand_M_2;
long double aux_stand_M_0;
long double aux_stand_M_1;
long double aux_stand_M_2;
/* S + 4 variables: y[0] = c_p, y[i] = \xi_i, i = 1, ......., S-1, y[S] = M_0, y[S+1] = M_0, y[S+2] = M_2, y[S+3] = c_a */
/************* zerowanie reczne elem. ************************/
for (i = 0; i < S + 4; i++) {
y[i] = 0.0;
/* printf("# y[%d] = % .16Lf", i, y[i]); */
}
/*******inicjalizacja tablicy zmiennych ******************/
y[0] = p.c4; /* c_p(0) = c_0 */
y[S + 3] = p.c10; /* c_a(0) = d_0 */
fprintf(fp,
"# Values of the model parameters: \n#\n# Coagulation kernel parameters: kappa_0 = %.1f, kappa_1 = %.1f, kappa_2 = %.1f \n#\n# Precursors: c_0 = %.10f, d_0 = %.10f, Reductor: c_H = %.10f \n#\n# (exponential notation: c_0 = %.6e, d_0 = %.6e, c_H = %.6e)\n#\n# Reaction rate constants (bare!!): k_1 = %.10f, k_3 = %.10f, k_4 = %.10f, b_R = rho_0 = %.10f \n#\n# (exponential notation: k_1 = %.7e, k_3 = %.7e, k_4 = %.7e) \n#\n",
p.c1, p.c2, p.c3, p.c4, p.c10, p.c5, p.c4, p.c10, p.c5, p.c6, p.c7,
p.c8, p.c9, p.c6, p.c7, p.c8);
fprintf(fp,
"# A_R = %.1f, B_R = %.1f \n#\n# N = %d, t1 = %.0f s \n#\n# co_ile_krokow_wypisuje = %d \n#\n# s = %d\n#\n#\n#\n#\n#\n#\n",
STALA_DO_A_R, STALA_DO_B_R, N, t1, co_ile_krokow_wypisuje, S);
fprintf(fp,
"# State parameters: \n# \n# t c_p c_a M_0 M_1 M_2 M_0^{S} M_1^{S} M_2^{S} c_p + c_a + M_1 M_1/M_0 std_dev(size) xi_1, xi_2....\n#\n");
for (i = 1; i <= N; i++) /*N = 100 in the orginal example */
{
double ti = i * t1 / N;
int status = gsl_odeiv2_driver_apply(d, &t, ti, y);
if (status != GSL_SUCCESS) {
fprintf(fp,"error, return value=%d\n", status);
break;
}
stand_M_0 = 0.0;
stand_M_1 = 0.0;
stand_M_2 = 0.0;
aux_stand_M_0 = 0.0;
aux_stand_M_1 = 0.0;
aux_stand_M_2 = 0.0;
for (k = 1; k < S; k++) {
aux_stand_M_0 = aux_stand_M_0 + y[k];
aux_stand_M_1 = aux_stand_M_1 + (long double) k * y[k];
aux_stand_M_2 = aux_stand_M_2 + pow((long double) k, 2.0) * y[k];
}
stand_M_0 = aux_stand_M_0 + y[S];
stand_M_1 = aux_stand_M_1 + y[S + 1];
stand_M_2 = aux_stand_M_2 + y[S + 2];
if (i % co_ile_krokow_wypisuje == 0) {
fprintf(fp,"% .4f % .16f % .16f ", t, y[0], y[S + 3]);
fprintf(fp,"% .16Lf % .16Lf % .16Lf ", stand_M_0, stand_M_1, stand_M_2);
fprintf(fp,"% .16f % .16f % .16f ", y[S], y[S + 1], y[S + 2]);
fprintf(fp,"% .12Lf ", y[0] + y[S + 3] + stand_M_1);
fprintf(fp,"% .12Lf ", mean(stand_M_0, stand_M_1, stand_M_2));
fprintf(fp,"% .12Lf ", std_deviation(stand_M_0, stand_M_1, stand_M_2));
/*
for(k = 1; k < S ; k++)
{
printf("% .16f ", y[k]);
}
*/
for (k = 1; k < S; k = 2 * k) /*printf(" x[%d]=% .16f ", k, y[k]);*/
{
fprintf(fp,"% .16f ", y[k]);
}
fprintf(fp," \n");
} /* od 'if' od krokow czasowych */
if (i == N) {
fprintf(fp,"# \n");
fprintf(fp,
"# Teraz wypisuje asymptotyczne wartosci wszystkich stezen klastrow \n");
for (k = 1; k < S; k++) /*printf(" x[%d]=% .16f ", k, y[k]);*/
{
fprintf(fp,"#7# %d % .16f \n", k, y[k]);
}
fprintf(fp,"#M_0=# % .16f \n", y[S]);
}
} /* for po 'i', glowna petla (kroki czasowe) */
gsl_odeiv2_driver_free(d);
/***************** the end of the GSL part **************************/
fprintf(fp,
"# State parameters: \n# \n# t c_p c_a M_0 M_1 M_2 M_0^{S} M_1^{S} M_2^{S} c_p + c_a + M_1 M_1/M_0 std_dev(size) xi_1, xi_2....\n#\n");
// close file:
fclose(fp);
return 0;
} /*koniec funkcji main*/
/**** mean and standard deviation ***/
long double mean(long double m_0, long double m_1, long double m_2) {
return (m_1 == 0.0 || m_0 == 0.0) ? 0 : m_1 / m_0;
}
long double std_deviation(long double m_0, long double m_1, long double m_2) {
return (m_1 == 0.0 || m_0 == 0.0) ? 0 : sqrt(m_2 / m_0 - pow(m_1 / m_0, 2.0));
}
/****** Kernel functions ******************************/
long double K(int i_1, int i_2, long double kapp_0, long double kapp_1,
long double kapp_2) {
return kapp_2 * (long double) i_1 * (long double) i_2
+ ((long double) i_1 + (long double) i_2) * kapp_1 + kapp_0;
}
long double F(int i_1, int i_2) {
return 0;
}
long double R(int i_1, double c_HH, double kk_4, double rho_00) {
return c_HH * kk_4 * i_1 + rho_00;
}
long double A_K(int i_1, long double kapp_0, long double kapp_1,
long double kapp_2) {
return i_1 * kapp_2 + kapp_1;
}
long double B_K(int i_1, long double kapp_0, long double kapp_1,
long double kapp_2) {
return i_1 * kapp_1 + kapp_0;
}