Condensed phase diffusion reaction solver functions. More...

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Macros
#define	NUM_ADJACENT_PAIRS_ int_data[0]

#define	NUM_INT_PROP_ 1

#define	NUM_FLOAT_PROP_ 0

#define	NUM_ENV_PARAM_ 0

#define	DIFF_COEFF_INNER_(x) (float_data[(NUM_FLOAT_PROP_) + (x)])

#define	DIFF_COEFF_OUTER_(x) (float_data[(NUM_FLOAT_PROP_) + (NUM_ADJACENT_PAIRS_) + (x)])

#define	PHASE_ID_INNER_(x) (int_data[(NUM_INT_PROP_) + (x)]-1)

#define	PHASE_ID_OUTER_(x) (int_data[(NUM_INT_PROP_) + (NUM_ADJACENT_PAIRS_) + (x)]-1)

#define	AERO_SPEC_INNER_(x) (int_data[(NUM_INT_PROP_) + (2*NUM_ADJACENT_PAIRS_) + (x)]-1)

#define	AERO_SPEC_OUTER_(x) (int_data[(NUM_INT_PROP_) + (3*NUM_ADJACENT_PAIRS_) + (x)]-1)

#define	AERO_REP_ID_(x) (int_data[(NUM_INT_PROP_) + (4*NUM_ADJACENT_PAIRS_) + (x)]-1)

#define	DERIV_ID_INNER_(x) (int_data[(NUM_INT_PROP_) + (5*NUM_ADJACENT_PAIRS_) + (x)])

#define	DERIV_ID_OUTER_(x) (int_data[(NUM_INT_PROP_) + (6*NUM_ADJACENT_PAIRS_) + (x)])

Functions
void	rxn_condensed_phase_diffusion_get_used_jac_elem (ModelData model_data, int rxn_int_data, double rxn_float_data, Jacobian jac)
	Flag Jacobian elements used by this reaction. More...

void	rxn_condensed_phase_diffusion_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices. More...

void	rxn_condensed_phase_diffusion_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions. More...

void	rxn_condensed_phase_diffusion_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction. More...

void	rxn_condensed_phase_diffusion_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction. More...

void	rxn_condensed_phase_diffusion_print (int rxn_int_data, double rxn_float_data)
	Print the Phase Transfer reaction parameters. More...

Detailed Description

Condensed phase diffusion reaction solver functions.

Definition in file rxn_condensed_phase_diffusion.c.

Macro Definition Documentation

◆ AERO_REP_ID_

#define AERO_REP_ID_ ( x ) (int_data[(NUM_INT_PROP_) + (4*NUM_ADJACENT_PAIRS_) + (x)]-1)

Definition at line 36 of file rxn_condensed_phase_diffusion.c.

◆ AERO_SPEC_INNER_

#define AERO_SPEC_INNER_ ( x ) (int_data[(NUM_INT_PROP_) + (2*NUM_ADJACENT_PAIRS_) + (x)]-1)

Definition at line 34 of file rxn_condensed_phase_diffusion.c.

◆ AERO_SPEC_OUTER_

#define AERO_SPEC_OUTER_ ( x ) (int_data[(NUM_INT_PROP_) + (3*NUM_ADJACENT_PAIRS_) + (x)]-1)

Definition at line 35 of file rxn_condensed_phase_diffusion.c.

◆ DERIV_ID_INNER_

#define DERIV_ID_INNER_ ( x ) (int_data[(NUM_INT_PROP_) + (5*NUM_ADJACENT_PAIRS_) + (x)])

Definition at line 38 of file rxn_condensed_phase_diffusion.c.

◆ DERIV_ID_OUTER_

#define DERIV_ID_OUTER_ ( x ) (int_data[(NUM_INT_PROP_) + (6*NUM_ADJACENT_PAIRS_) + (x)])

Definition at line 39 of file rxn_condensed_phase_diffusion.c.

◆ DIFF_COEFF_INNER_

#define DIFF_COEFF_INNER_ ( x ) (float_data[(NUM_FLOAT_PROP_) + (x)])

Definition at line 30 of file rxn_condensed_phase_diffusion.c.

◆ DIFF_COEFF_OUTER_

#define DIFF_COEFF_OUTER_ ( x ) (float_data[(NUM_FLOAT_PROP_) + (NUM_ADJACENT_PAIRS_) + (x)])

Definition at line 31 of file rxn_condensed_phase_diffusion.c.

◆ NUM_ADJACENT_PAIRS_

#define NUM_ADJACENT_PAIRS_ int_data[0]

Definition at line 24 of file rxn_condensed_phase_diffusion.c.

◆ NUM_ENV_PARAM_

#define NUM_ENV_PARAM_ 0

Definition at line 28 of file rxn_condensed_phase_diffusion.c.

◆ NUM_FLOAT_PROP_

#define NUM_FLOAT_PROP_ 0

Definition at line 27 of file rxn_condensed_phase_diffusion.c.

◆ NUM_INT_PROP_

#define NUM_INT_PROP_ 1

Definition at line 26 of file rxn_condensed_phase_diffusion.c.

◆ PHASE_ID_INNER_

#define PHASE_ID_INNER_ ( x ) (int_data[(NUM_INT_PROP_) + (x)]-1)

Definition at line 32 of file rxn_condensed_phase_diffusion.c.

◆ PHASE_ID_OUTER_

#define PHASE_ID_OUTER_ ( x ) (int_data[(NUM_INT_PROP_) + (NUM_ADJACENT_PAIRS_) + (x)]-1)

Definition at line 33 of file rxn_condensed_phase_diffusion.c.

Function Documentation

◆ rxn_condensed_phase_diffusion_calc_deriv_contrib()

void rxn_condensed_phase_diffusion_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 136 of file rxn_condensed_phase_diffusion.c.

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◆ rxn_condensed_phase_diffusion_calc_jac_contrib()

void rxn_condensed_phase_diffusion_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 221 of file rxn_condensed_phase_diffusion.c.

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◆ rxn_condensed_phase_diffusion_get_used_jac_elem()

void rxn_condensed_phase_diffusion_get_used_jac_elem	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 56 of file rxn_condensed_phase_diffusion.c.

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◆ rxn_condensed_phase_diffusion_print()

void rxn_condensed_phase_diffusion_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Phase Transfer reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 238 of file rxn_condensed_phase_diffusion.c.

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◆ rxn_condensed_phase_diffusion_update_env_state()

void rxn_condensed_phase_diffusion_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 114 of file rxn_condensed_phase_diffusion.c.

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◆ rxn_condensed_phase_diffusion_update_ids()

void rxn_condensed_phase_diffusion_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data for finding sub model ids
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 94 of file rxn_condensed_phase_diffusion.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ AERO_REP_ID_

◆ AERO_SPEC_INNER_

◆ AERO_SPEC_OUTER_

◆ DERIV_ID_INNER_

◆ DERIV_ID_OUTER_

◆ DIFF_COEFF_INNER_

◆ DIFF_COEFF_OUTER_

◆ NUM_ADJACENT_PAIRS_

◆ NUM_ENV_PARAM_

◆ NUM_FLOAT_PROP_

◆ NUM_INT_PROP_

◆ PHASE_ID_INNER_

◆ PHASE_ID_OUTER_

Function Documentation

◆ rxn_condensed_phase_diffusion_calc_deriv_contrib()

◆ rxn_condensed_phase_diffusion_calc_jac_contrib()

◆ rxn_condensed_phase_diffusion_get_used_jac_elem()

◆ rxn_condensed_phase_diffusion_print()

◆ rxn_condensed_phase_diffusion_update_env_state()

◆ rxn_condensed_phase_diffusion_update_ids()