che_semchem.cc File Reference

#include <string.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "semchem/che_semchem.h"

Go to the source code of this file.

Macros
#define	_R   0.008314
#define	VERZE   "30-09-2005"
#define	vystupni_soubor   "che_out.txt"
#define	PUL_POCTU_VNORENI   8
#define	MAX_POC_VNEJ_CYK   1500
#define	MAX_STAGNACE   400
#define	MAX_POC_VNITR_CYK   2000
#define	DROBNY_POSUN   1.0e-10

Functions
void	che_vypis_soubor (char *soubor)
void	che_vypis__soubor (char *soubor)
void	che_outpocp_soubor (FILE *fw)
void	che_outpocp__soubor (FILE *fw)
int	che_Gauss (double *matice, double *prstrana, int *hprvky, int rozmer)
double	che_poww (double A, int b, int *error)
double	che_poww_ld (double A, double b, int *error)
double	che_m_ (int latka, double *zeta)
double	che_m_x (int latka, double *zeta, double krat)
double	che_m (int latka, double *zeta)
double	che_I (double *zeta)
double	che_dI (int smer)
double	che_gama_ (int i, double *zeta, int *error)
double	che_dgama_ (int i, double *zeta, int smer, int *error)
double	che_K1_ (double *zeta, int rce, int vnoreni)
double	che_K2_ (double *zeta, int rce, int vnoreni)
double	che_lnKT0 (int rce)
double	che_dH (int rce)
double	che_K_ (int rce)
double	che_dK1_ (double *zeta, int rce, int smer, int vnoreni)
double	che_dK2_ (double *zeta, int rce, int smer, int vnoreni)
double	che_hodnota_ (double *zeta, int rce)
double	che_derivace_ (double *zeta, int rce, int smer)
void	che_hodnoty (double *zeta, double *hodnota, double *skala)
void	che_Jakobi (double *zeta, double *J, double *skala)
double	che_abs_norma (double *x)
double	che_rel_norma (double *x, double *K)
double	che_norma (double *x, double *K)
void	che_odecti (double *x, double *y, double *z)
void	che_nasob_ld (double x, double *y, double *z, int delka)
void	che_kombinuj4_ld (double x1, double *y1, double x2, double *y2, double x3, double *y3, double x4, double *y4, double *z, int delka)
void	che_nuluj_ld (double *z, int delka)
void	che_kopiruj (double *y, double *z)
void	che_zgaussproprg (double *prstrana, int *hprvky, double *vysl)
void	che_napis_soubor_ld (FILE *fw, double *vektor, int delka)
void	che_napismatici_soubor (char *soubor, double *matice, double *prstr)
int	che_odecti_s_korekci_ld (double *x, double *y, double *z, int delka)
void	che_napis_stav_soubor (char *soubor, double *zeta, double *K, double *matice, double *prstr)
void	che_srovnej (double *KK, double *skala)
void	che_presun_poc_p_ (void)
double	che_osklivost (double *zeta0, int *zapornych, int *nulovych, int *nejhorsi)
int	che_urci_zeta0 (void)
void	che_maticovy_vypocet (char *soubor)
void	che_spocitej_rychlosti (double *rychlosti, double *poloha, double dt)
void	che_spocitej_posunuti (double *posunuti, double *rychlosti)
void	che_prepocitej_polohu (double *poloha2, double *poloha, double *posunuti)
void	che_zkrat_latku_o (int kterou, double o_kolik, double *rychlosti)
void	che_pomala_kinetika (char *soubor, int poc_kroku)
void	che_vypocet_rovnovah (char *soubor)
void	che_rovnovahy_se_sorpci (char *soubor)
void	che_matice_se_sorpci (char *soubor)
void	che_pocitej_soubor (char *soubor, int *poc_krok)
void	che_nactenichemie (void)
void	che_vypis_prm_lat_che (void)
void	che_uvolneni_P (void)
float	che_poradi (int typ_reakce, double max, double K)

Variables
struct TS_prm	G_prm
struct TS_lat *	P_lat
struct TS_che *	P_che

Macro Definition Documentation

#define _R   0.008314

Definition at line 6 of file che_semchem.cc.

#define DROBNY_POSUN   1.0e-10

Definition at line 13 of file che_semchem.cc.

#define MAX_POC_VNEJ_CYK   1500

Definition at line 10 of file che_semchem.cc.

#define MAX_POC_VNITR_CYK   2000

Definition at line 12 of file che_semchem.cc.

#define MAX_STAGNACE   400

Definition at line 11 of file che_semchem.cc.

#define PUL_POCTU_VNORENI   8

Definition at line 9 of file che_semchem.cc.

#define VERZE   "30-09-2005"

Definition at line 7 of file che_semchem.cc.

#define vystupni_soubor   "che_out.txt"

Definition at line 8 of file che_semchem.cc.

Function Documentation

double che_abs_norma

(

double *

x

)

Definition at line 986 of file che_semchem.cc.

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double che_derivace_	(	double *	zeta,
		int	rce,
		int	smer
	)

Definition at line 949 of file che_semchem.cc.

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double che_dgama_	(	int	i,
		double *	zeta,
		int	smer,
		int *	error
	)

Definition at line 346 of file che_semchem.cc.

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double che_dH

(

int

rce

)

Definition at line 574 of file che_semchem.cc.

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double che_dI

(

int

smer

)

Definition at line 312 of file che_semchem.cc.

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double che_dK1_	(	double *	zeta,
		int	rce,
		int	smer,
		int	vnoreni
	)

Definition at line 645 of file che_semchem.cc.

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double che_dK2_	(	double *	zeta,
		int	rce,
		int	smer,
		int	vnoreni
	)

Definition at line 843 of file che_semchem.cc.

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double che_gama_	(	int	i,
		double *	zeta,
		int *	error
	)

Definition at line 326 of file che_semchem.cc.

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int che_Gauss	(	double *	matice,
		double *	prstrana,
		int *	hprvky,
		int	rozmer
	)

Definition at line 67 of file che_semchem.cc.

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double che_hodnota_	(	double *	zeta,
		int	rce
	)

Definition at line 938 of file che_semchem.cc.

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void che_hodnoty	(	double *	zeta,
		double *	hodnota,
		double *	skala
	)

Definition at line 960 of file che_semchem.cc.

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double che_I

(

double *

zeta

)

Definition at line 298 of file che_semchem.cc.

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void che_Jakobi	(	double *	zeta,
		double *	J,
		double *	skala
	)

Definition at line 970 of file che_semchem.cc.

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double che_K1_	(	double *	zeta,
		int	rce,
		int	vnoreni
	)

Definition at line 401 of file che_semchem.cc.

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double che_K2_	(	double *	zeta,
		int	rce,
		int	vnoreni
	)

Definition at line 504 of file che_semchem.cc.

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double che_K_

(

int

rce

)

Definition at line 588 of file che_semchem.cc.

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void che_kombinuj4_ld	(	double	x1,
		double *	y1,
		double	x2,
		double *	y2,
		double	x3,
		double *	y3,
		double	x4,
		double *	y4,
		double *	z,
		int	delka
	)

Definition at line 1052 of file che_semchem.cc.

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void che_kopiruj	(	double *	y,
		double *	z
	)

Definition at line 1076 of file che_semchem.cc.

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double che_lnKT0

(

int

rce

)

Definition at line 559 of file che_semchem.cc.

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double che_m	(	int	latka,
		double *	zeta
	)

Definition at line 287 of file che_semchem.cc.

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double che_m_	(	int	latka,
		double *	zeta
	)

Definition at line 261 of file che_semchem.cc.

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double che_m_x	(	int	latka,
		double *	zeta,
		double	krat
	)

Definition at line 274 of file che_semchem.cc.

void che_matice_se_sorpci

(

char *

soubor

)

Definition at line 1941 of file che_semchem.cc.

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void che_maticovy_vypocet

(

char *

soubor

)

Definition at line 1410 of file che_semchem.cc.

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void che_nactenichemie

(

void

)

Definition at line 1964 of file che_semchem.cc.

void che_napis_soubor_ld	(	FILE *	fw,
		double *	vektor,
		int	delka
	)

Definition at line 1098 of file che_semchem.cc.

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void che_napis_stav_soubor	(	char *	soubor,
		double *	zeta,
		double *	K,
		double *	matice,
		double *	prstr
	)

Definition at line 1223 of file che_semchem.cc.

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void che_napismatici_soubor	(	char *	soubor,
		double *	matice,
		double *	prstr
	)

Definition at line 1113 of file che_semchem.cc.

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void che_nasob_ld	(	double	x,
		double *	y,
		double *	z,
		int	delka
	)

Definition at line 1040 of file che_semchem.cc.

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double che_norma	(	double *	x,
		double *	K
	)

Definition at line 1012 of file che_semchem.cc.

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void che_nuluj_ld	(	double *	z,
		int	delka
	)

Definition at line 1064 of file che_semchem.cc.

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void che_odecti	(	double *	x,
		double *	y,
		double *	z
	)

Definition at line 1028 of file che_semchem.cc.

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int che_odecti_s_korekci_ld	(	double *	x,
		double *	y,
		double *	z,
		int	delka
	)

Definition at line 1132 of file che_semchem.cc.

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double che_osklivost	(	double *	zeta0,
		int *	zapornych,
		int *	nulovych,
		int *	nejhorsi
	)

Definition at line 1271 of file che_semchem.cc.

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void che_outpocp__soubor

(

FILE *

fw

)

Definition at line 57 of file che_semchem.cc.

void che_outpocp_soubor

(

FILE *

fw

)

Definition at line 48 of file che_semchem.cc.

void che_pocitej_soubor	(	char *	soubor,
		int *	poc_krok
	)

Definition at line 1948 of file che_semchem.cc.

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void che_pomala_kinetika	(	char *	soubor,
		int	poc_kroku
	)

Definition at line 1735 of file che_semchem.cc.

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float che_poradi	(	int	typ_reakce,
		double	max,
		double	K
	)

Definition at line 2023 of file che_semchem.cc.

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double che_poww	(	double	A,
		int	b,
		int *	error
	)

Definition at line 186 of file che_semchem.cc.

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double che_poww_ld	(	double	A,
		double	b,
		int *	error
	)

Definition at line 223 of file che_semchem.cc.

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void che_prepocitej_polohu	(	double *	poloha2,
		double *	poloha,
		double *	posunuti
	)

Definition at line 1688 of file che_semchem.cc.

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void che_presun_poc_p_

(

void

)

Definition at line 1261 of file che_semchem.cc.

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double che_rel_norma	(	double *	x,
		double *	K
	)

Definition at line 999 of file che_semchem.cc.

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void che_rovnovahy_se_sorpci

(

char *

soubor

)

Definition at line 1934 of file che_semchem.cc.

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void che_spocitej_posunuti	(	double *	posunuti,
		double *	rychlosti
	)

Definition at line 1673 of file che_semchem.cc.

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void che_spocitej_rychlosti	(	double *	rychlosti,
		double *	poloha,
		double	dt
	)

Definition at line 1649 of file che_semchem.cc.

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void che_srovnej	(	double *	KK,
		double *	skala
	)

Definition at line 1237 of file che_semchem.cc.

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int che_urci_zeta0

(

void

)

Definition at line 1319 of file che_semchem.cc.

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void che_uvolneni_P

(

void

)

Definition at line 2005 of file che_semchem.cc.

void che_vypis__soubor

(

char *

soubor

)

Definition at line 35 of file che_semchem.cc.

void che_vypis_prm_lat_che

(

void

)

Definition at line 1968 of file che_semchem.cc.

void che_vypis_soubor

(

char *

soubor

)

Definition at line 23 of file che_semchem.cc.

void che_vypocet_rovnovah

(

char *

soubor

)

Definition at line 1927 of file che_semchem.cc.

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void che_zgaussproprg	(	double *	prstrana,
		int *	hprvky,
		double *	vysl
	)

Definition at line 1088 of file che_semchem.cc.

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void che_zkrat_latku_o	(	int	kterou,
		double	o_kolik,
		double *	rychlosti
	)

Definition at line 1698 of file che_semchem.cc.

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Variable Documentation

struct TS_prm G_prm

Definition at line 23 of file semchem_interface.cc.

struct TS_che* P_che

Definition at line 25 of file semchem_interface.cc.

struct TS_lat* P_lat

Definition at line 24 of file semchem_interface.cc.