PDFiTE Activity sub model solver functions. More...

Include dependency graph for sub_model_PDFiTE.c:

Macros
#define	TEMPERATURE_K_ env_data[0]

#define	PRESSURE_PA_ env_data[1]

#define	NUM_PHASE_ (int_data[0])

#define	GAS_WATER_ID_ (int_data[1] - 1)

#define	NUM_ION_PAIRS_ (int_data[2])

#define	INT_DATA_SIZE_ (int_data[3])

#define	FLOAT_DATA_SIZE_ (int_data[4])

#define	PPM_TO_RH_ (sub_model_env_data[0])

#define	NUM_INT_PROP_ 5

#define	NUM_REAL_PROP_ 0

#define	NUM_ENV_PARAM_ 1

#define	PHASE_ID_(x)

#define	PAIR_INT_PARAM_LOC_(x)

#define	PAIR_FLOAT_PARAM_LOC_(x)

#define	ION_PAIR_ACT_ID_(x)

#define	NUM_CATION_(x)

#define	NUM_ANION_(x)

#define	CATION_ID_(x)

#define	ANION_ID_(x)

#define	NUM_INTER_(x)

#define	JAC_WATER_ID_(p, x)

#define	JAC_CATION_ID_(p, x, y)

#define	JAC_ANION_ID_(p, x, y)

#define	NUM_B_(x, y)

#define	INTER_SPEC_ID_(x, y)

#define	INTER_SPEC_LOC_(x, y)

#define	CATION_MW_(x)

#define	ANION_MW_(x)

#define	CATION_N_(x)

#define	ANION_N_(x)

#define	MIN_RH_(x, y)

#define	MAX_RH_(x, y)

#define	B_Z_(x, y, z)

Functions
void	sub_model_PDFiTE_get_used_jac_elem (int sub_model_int_data, double sub_model_float_data, Jacobian *jac)
	Flag Jacobian elements used by this sub model.

void	sub_model_PDFiTE_update_ids (int sub_model_int_data, double sub_model_float_data, int *deriv_ids, Jacobian jac)
	Update the time derivative and Jacbobian array indices.

void	sub_model_PDFiTE_update_env_state (int sub_model_int_data, double sub_model_float_data, double sub_model_env_data, ModelData model_data)
	Update sub model data for new environmental conditions.

void	sub_model_PDFiTE_calculate (int sub_model_int_data, double sub_model_float_data, double sub_model_env_data, ModelData model_data)
	Perform the sub-model calculations for the current model state.

void	sub_model_PDFiTE_get_jac_contrib (int sub_model_int_data, double sub_model_float_data, double sub_model_env_data, ModelData model_data, realtype *J, double time_step)
	Add contributions to the Jacobian from derivates calculated using the output of this sub model.

void	sub_model_PDFiTE_print (int sub_model_int_data, double sub_model_float_data)
	Print the PDFiTE Activity sub model parameters.

Detailed Description

PDFiTE Activity sub model solver functions.

Definition in file sub_model_PDFiTE.c.

Macro Definition Documentation

◆ ANION_ID_

#define ANION_ID_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 4])

PAIR_INT_PARAM_LOC_

#define PAIR_INT_PARAM_LOC_(x)

Definition sub_model_PDFiTE.c:31

Definition at line 38 of file sub_model_PDFiTE.c.

◆ ANION_MW_

#define ANION_MW_ ( x )

Value:

(float_data[PAIR_FLOAT_PARAM_LOC_(x) + 1])

PAIR_FLOAT_PARAM_LOC_

#define PAIR_FLOAT_PARAM_LOC_(x)

Definition sub_model_PDFiTE.c:32

Definition at line 58 of file sub_model_PDFiTE.c.

◆ ANION_N_

#define ANION_N_ ( x )

Value:

(float_data[PAIR_FLOAT_PARAM_LOC_(x) + 3])

Definition at line 60 of file sub_model_PDFiTE.c.

◆ B_Z_

#define B_Z_	(	x,
		y,
		z )

Value:

(float_data[INTER_SPEC_LOC_(x, y) + 2 + z])

INTER_SPEC_LOC_

#define INTER_SPEC_LOC_(x, y)

Definition sub_model_PDFiTE.c:53

Definition at line 63 of file sub_model_PDFiTE.c.

◆ CATION_ID_

#define CATION_ID_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 3])

Definition at line 37 of file sub_model_PDFiTE.c.

◆ CATION_MW_

#define CATION_MW_ ( x )

Value:

(float_data[PAIR_FLOAT_PARAM_LOC_(x)])

Definition at line 57 of file sub_model_PDFiTE.c.

◆ CATION_N_

#define CATION_N_ ( x )

Value:

(float_data[PAIR_FLOAT_PARAM_LOC_(x) + 2])

Definition at line 59 of file sub_model_PDFiTE.c.

◆ FLOAT_DATA_SIZE_

#define FLOAT_DATA_SIZE_ (int_data[4])

Definition at line 25 of file sub_model_PDFiTE.c.

◆ GAS_WATER_ID_

#define GAS_WATER_ID_ (int_data[1] - 1)

Definition at line 22 of file sub_model_PDFiTE.c.

◆ INT_DATA_SIZE_

#define INT_DATA_SIZE_ (int_data[3])

Definition at line 24 of file sub_model_PDFiTE.c.

◆ INTER_SPEC_ID_

#define INTER_SPEC_ID_	(		x,
			y )

Value:

  (int_data[PAIR_INT_PARAM_LOC_(x) + 6 +                                 \
            (1 + 2 * NUM_ION_PAIRS_) * NUM_PHASE_ + NUM_INTER_(x) + y] - \
   1)

Definition at line 49 of file sub_model_PDFiTE.c.

◆ INTER_SPEC_LOC_

#define INTER_SPEC_LOC_	(		x,
			y )

Value:

  (int_data[PAIR_INT_PARAM_LOC_(x) + 6 +                                       \
            (1 + 2 * NUM_ION_PAIRS_) * NUM_PHASE_ + 2 * (NUM_INTER_(x)) + y] - \
   1)

Definition at line 53 of file sub_model_PDFiTE.c.

◆ ION_PAIR_ACT_ID_

#define ION_PAIR_ACT_ID_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x)])

Definition at line 34 of file sub_model_PDFiTE.c.

◆ JAC_ANION_ID_

#define JAC_ANION_ID_	(	p,
		x,
		y )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 6 + (1 + NUM_ION_PAIRS_) * NUM_PHASE_ + \

p * NUM_ION_PAIRS_ + y])

Definition at line 43 of file sub_model_PDFiTE.c.

◆ JAC_CATION_ID_

#define JAC_CATION_ID_	(	p,
		x,
		y )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 6 + NUM_PHASE_ + p * NUM_ION_PAIRS_ + y])

Definition at line 41 of file sub_model_PDFiTE.c.

◆ JAC_WATER_ID_

#define JAC_WATER_ID_	(		p,
			x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 6 + p])

Definition at line 40 of file sub_model_PDFiTE.c.

◆ MAX_RH_

#define MAX_RH_	(		x,
			y )

Value:

(float_data[INTER_SPEC_LOC_(x, y) + 1])

Definition at line 62 of file sub_model_PDFiTE.c.

◆ MIN_RH_

#define MIN_RH_	(		x,
			y )

Value:

(float_data[INTER_SPEC_LOC_(x, y)])

Definition at line 61 of file sub_model_PDFiTE.c.

◆ NUM_ANION_

#define NUM_ANION_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 2])

Definition at line 36 of file sub_model_PDFiTE.c.

◆ NUM_B_

#define NUM_B_	(		x,
			y )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 6 + \

(1 + 2 * NUM_ION_PAIRS_) * NUM_PHASE_ + y])

Definition at line 46 of file sub_model_PDFiTE.c.

◆ NUM_CATION_

#define NUM_CATION_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 1])

Definition at line 35 of file sub_model_PDFiTE.c.

◆ NUM_ENV_PARAM_

#define NUM_ENV_PARAM_ 1

Definition at line 29 of file sub_model_PDFiTE.c.

◆ NUM_INT_PROP_

#define NUM_INT_PROP_ 5

Definition at line 27 of file sub_model_PDFiTE.c.

◆ NUM_INTER_

#define NUM_INTER_ ( x )

Value:

(int_data[PAIR_INT_PARAM_LOC_(x) + 5])

Definition at line 39 of file sub_model_PDFiTE.c.

◆ NUM_ION_PAIRS_

#define NUM_ION_PAIRS_ (int_data[2])

Definition at line 23 of file sub_model_PDFiTE.c.

◆ NUM_PHASE_

#define NUM_PHASE_ (int_data[0])

Definition at line 21 of file sub_model_PDFiTE.c.

◆ NUM_REAL_PROP_

#define NUM_REAL_PROP_ 0

Definition at line 28 of file sub_model_PDFiTE.c.

◆ PAIR_FLOAT_PARAM_LOC_

#define PAIR_FLOAT_PARAM_LOC_ ( x )

Value:

(int_data[NUM_INT_PROP_ + NUM_PHASE_ + NUM_ION_PAIRS_ + x] - 1)

NUM_INT_PROP_

#define NUM_INT_PROP_

Definition sub_model_PDFiTE.c:27

Definition at line 32 of file sub_model_PDFiTE.c.

◆ PAIR_INT_PARAM_LOC_

#define PAIR_INT_PARAM_LOC_ ( x )

Value:

(int_data[NUM_INT_PROP_ + NUM_PHASE_ + x] - 1)

Definition at line 31 of file sub_model_PDFiTE.c.

◆ PHASE_ID_

#define PHASE_ID_ ( x )

Value:

(int_data[NUM_INT_PROP_ + x] - 1)

Definition at line 30 of file sub_model_PDFiTE.c.

◆ PPM_TO_RH_

#define PPM_TO_RH_ (sub_model_env_data[0])

Definition at line 26 of file sub_model_PDFiTE.c.

◆ PRESSURE_PA_

#define PRESSURE_PA_ env_data[1]

Definition at line 19 of file sub_model_PDFiTE.c.

◆ TEMPERATURE_K_

#define TEMPERATURE_K_ env_data[0]

Definition at line 18 of file sub_model_PDFiTE.c.

Function Documentation

◆ sub_model_PDFiTE_calculate()

void sub_model_PDFiTE_calculate	(	int *	sub_model_int_data,
		double *	sub_model_float_data,
		double *	sub_model_env_data,
		ModelData *	model_data )

Perform the sub-model calculations for the current model state.

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data
sub_model_env_data	Pointer to the sub model environment-dependent data
model_data	Pointer to the model data including the current state and environmental conditions

Definition at line 167 of file sub_model_PDFiTE.c.

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◆ sub_model_PDFiTE_get_jac_contrib()

void sub_model_PDFiTE_get_jac_contrib	(	int *	sub_model_int_data,
		double *	sub_model_float_data,
		double *	sub_model_env_data,
		ModelData *	model_data,
		realtype *	J,
		double	time_step )

Add contributions to the Jacobian from derivates calculated using the output of this sub model.

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data
sub_model_env_data	Pointer to the sub model environment-dependent data
model_data	Pointer to the model data
J	Jacobian to be calculated
time_step	Current time step in [s]

Definition at line 277 of file sub_model_PDFiTE.c.

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◆ sub_model_PDFiTE_get_used_jac_elem()

void sub_model_PDFiTE_get_used_jac_elem	(	int *	sub_model_int_data,
		double *	sub_model_float_data,
		Jacobian *	jac )

Flag Jacobian elements used by this sub model.

activity sub models are assumed to be at equilibrium

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data
jac	Jacobian

Definition at line 73 of file sub_model_PDFiTE.c.

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◆ sub_model_PDFiTE_print()

void sub_model_PDFiTE_print	(	int *	sub_model_int_data,
		double *	sub_model_float_data )

Print the PDFiTE Activity sub model parameters.

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data

Definition at line 462 of file sub_model_PDFiTE.c.

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◆ sub_model_PDFiTE_update_env_state()

void sub_model_PDFiTE_update_env_state	(	int *	sub_model_int_data,
		double *	sub_model_float_data,
		double *	sub_model_env_data,
		ModelData *	model_data )

Update sub model data for new environmental conditions.

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data
sub_model_env_data	Pointer to the sub model environment-dependent data
model_data	Pointer to the model data

Definition at line 137 of file sub_model_PDFiTE.c.

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◆ sub_model_PDFiTE_update_ids()

void sub_model_PDFiTE_update_ids	(	int *	sub_model_int_data,
		double *	sub_model_float_data,
		int *	deriv_ids,
		Jacobian	jac )

Update the time derivative and Jacbobian array indices.

activity sub models are assumed to be at equilibrium

Parameters

sub_model_int_data	Pointer to the sub model integer data
sub_model_float_data	Pointer to the sub model floating-point data
deriv_ids	Indices for state array variables on the solver state array
jac	Jacobian

Definition at line 105 of file sub_model_PDFiTE.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ ANION_ID_

◆ ANION_MW_

◆ ANION_N_

◆ B_Z_

◆ CATION_ID_

◆ CATION_MW_

◆ CATION_N_

◆ FLOAT_DATA_SIZE_

◆ GAS_WATER_ID_

◆ INT_DATA_SIZE_

◆ INTER_SPEC_ID_

◆ INTER_SPEC_LOC_

◆ ION_PAIR_ACT_ID_

◆ JAC_ANION_ID_

◆ JAC_CATION_ID_

◆ JAC_WATER_ID_

◆ MAX_RH_

◆ MIN_RH_

◆ NUM_ANION_

◆ NUM_B_

◆ NUM_CATION_

◆ NUM_ENV_PARAM_

◆ NUM_INT_PROP_

◆ NUM_INTER_

◆ NUM_ION_PAIRS_

◆ NUM_PHASE_

◆ NUM_REAL_PROP_

◆ PAIR_FLOAT_PARAM_LOC_

◆ PAIR_INT_PARAM_LOC_

◆ PHASE_ID_

◆ PPM_TO_RH_

◆ PRESSURE_PA_

◆ TEMPERATURE_K_

Function Documentation

◆ sub_model_PDFiTE_calculate()

◆ sub_model_PDFiTE_get_jac_contrib()

◆ sub_model_PDFiTE_get_used_jac_elem()

◆ sub_model_PDFiTE_print()

◆ sub_model_PDFiTE_update_env_state()

◆ sub_model_PDFiTE_update_ids()