The mechanism_data_t structure and associated subroutines. More...

Data Types
type	mechanism_data_ptr
	Pointer type for building arrays. More...

type	mechanism_data_t
	A chemical mechanism. More...

Functions/Subroutines
type(mechanism_data_t) function, pointer	constructor (mech_name, init_size)
	Constructor for mechanism_data_t.

subroutine	ensure_size (this, num_rxn)
	Ensure there is enough room in the reaction dataset to add a specified number of reactions.

subroutine	load (this, json, j_obj)
	Load a chemical mechanism from an input file.

subroutine	initialize (this, chem_spec_data, aero_phase_data, aero_rep_data, n_cells)
	Initialize the mechanism.

integer(kind=i_kind) function	get_size (this)
	Get the current size of the chemical mechanism.

class(rxn_data_t) function, pointer	get_rxn (this, rxn_id)
	Get a reaction by its index.

character(len=:) function, allocatable	get_name (this)
	Get the name of the mechanism.

integer(kind=i_kind) function	pack_size (this, comm)
	Determine the size of a binary required to pack the mechanism.

subroutine	bin_pack (this, buffer, pos, comm)
	Pack the given value to the buffer, advancing position.

subroutine	bin_unpack (this, buffer, pos, comm)
	Unpack the given value to the buffer, advancing position.

subroutine	do_print (this, file_unit)
	Print the mechanism data.

subroutine	finalize (this)
	Finalize the mechanism.

subroutine	finalize_array (this)
	Finalize an array of mechanisms.

elemental subroutine	dereference (this)
	Dereference a pointer to a mechanism.

subroutine	ptr_finalize (this)
	Finalize a pointer to mechanism data.

subroutine	ptr_finalize_array (this)
	Finalize an array of mechanism data pointers.

Variables
integer(kind=i_kind), parameter	realloc_inc = 50
	Reallocation increment.

integer(kind=i_kind), parameter	mech_file_unit = 16
	Fixed module file unit.

Detailed Description

The mechanism_data_t structure and associated subroutines.

Function/Subroutine Documentation

◆ bin_pack()

subroutine camp_mechanism_data::bin_pack	(	class(mechanism_data_t), intent(in)	this,
		character, dimension(:), intent(inout)	buffer,
		integer, intent(inout)	pos,
		integer, intent(in)	comm )

private

Pack the given value to the buffer, advancing position.

Parameters

[in]	this	Chemical mechanism
[in,out]	buffer	Memory buffer
[in,out]	pos	Current buffer position
[in]	comm	MPI communicator

Definition at line 343 of file mechanism_data.F90.

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◆ bin_unpack()

subroutine camp_mechanism_data::bin_unpack	(	class(mechanism_data_t), intent(inout)	this,
		character, dimension(:), intent(inout)	buffer,
		integer, intent(inout)	pos,
		integer, intent(in)	comm )

private

Unpack the given value to the buffer, advancing position.

Parameters

[in,out]	this	Chemical mechanism
[in,out]	buffer	Memory buffer
[in,out]	pos	Current buffer position
[in]	comm	MPI communicator

Definition at line 374 of file mechanism_data.F90.

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◆ constructor()

type(mechanism_data_t) function, pointer camp_mechanism_data::constructor	(	character(len=*), intent(in), optional	mech_name,
		integer(i_kind), intent(in), optional	init_size )

Constructor for mechanism_data_t.

Returns: Chemical mechanism

Parameters

[in]	mech_name	Name of the mechanism
[in]	init_size	Number of reactions to allocate space for initially

Definition at line 119 of file mechanism_data.F90.

◆ dereference()

elemental subroutine camp_mechanism_data::dereference ( class(mechanism_data_ptr), intent(inout) this )

private

Dereference a pointer to a mechanism.

Parameters

[in,out] this Pointer to the mechanism

Definition at line 460 of file mechanism_data.F90.

◆ do_print()

subroutine camp_mechanism_data::do_print	(	class(mechanism_data_t), intent(in)	this,
		integer(kind=i_kind), optional	file_unit )

private

Print the mechanism data.

Parameters

[in]	this	Chemical mechanism
	file_unit	File unit for output

Definition at line 405 of file mechanism_data.F90.

◆ ensure_size()

subroutine camp_mechanism_data::ensure_size	(	class(mechanism_data_t), intent(inout)	this,
		integer(i_kind), intent(in)	num_rxn )

private

Ensure there is enough room in the reaction dataset to add a specified number of reactions.

Parameters

[in,out]	this	Chemical mechanism
[in]	num_rxn	Number of new reactions to ensure space for

Definition at line 147 of file mechanism_data.F90.

◆ finalize()

subroutine camp_mechanism_data::finalize ( type(mechanism_data_t), intent(inout) this )

private

Finalize the mechanism.

Parameters

[in,out] this Mechanism data

Definition at line 430 of file mechanism_data.F90.

◆ finalize_array()

subroutine camp_mechanism_data::finalize_array ( type(mechanism_data_t), dimension(:), intent(inout) this )

private

Finalize an array of mechanisms.

Parameters

[in,out] this Array of mechanism data

Definition at line 444 of file mechanism_data.F90.

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◆ get_name()

character(len=:) function, allocatable camp_mechanism_data::get_name ( class(mechanism_data_t), intent(in) this )

private

Get the name of the mechanism.

Returns: Name of the mechanism

Parameters

[in] this Chemical mechanism

Definition at line 308 of file mechanism_data.F90.

◆ get_rxn()

class(rxn_data_t) function, pointer camp_mechanism_data::get_rxn	(	class(mechanism_data_t), intent(in)	this,
		integer(kind=i_kind), intent(in)	rxn_id )

private

Get a reaction by its index.

Returns: Pointer to the reaction

Parameters

[in]	this	Mechanism data
[in]	rxn_id	Reaction index

Definition at line 288 of file mechanism_data.F90.

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◆ get_size()

integer(kind=i_kind) function camp_mechanism_data::get_size ( class(mechanism_data_t), intent(in) this )

private

Get the current size of the chemical mechanism.

Parameters

[in] this Chemical mechanism

Definition at line 276 of file mechanism_data.F90.

◆ initialize()

subroutine camp_mechanism_data::initialize	(	class(mechanism_data_t), intent(inout)	this,
		type(chem_spec_data_t), intent(in)	chem_spec_data,
		type(aero_phase_data_ptr), dimension(:), intent(in)	aero_phase_data,
		type(aero_rep_data_ptr), dimension(:), intent(in), pointer	aero_rep_data,
		integer(kind=i_kind), intent(in)	n_cells )

private

Initialize the mechanism.

Parameters

[in,out]	this	Chemical mechanism
[in]	chem_spec_data	Chemical species data
[in]	aero_phase_data	Aerosol phase data
[in]	aero_rep_data	Aerosol representation data
[in]	n_cells	Number of grid cells to solve simultaneously

Definition at line 249 of file mechanism_data.F90.

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◆ load()

subroutine camp_mechanism_data::load	(	class(mechanism_data_t), intent(inout)	this,
		type(json_core), intent(in), pointer	json,
		type(json_value), intent(in), pointer	j_obj )

private

Load a chemical mechanism from an input file.

Parameters

[in,out]	this	Chemical mechanism
[in]	json	JSON core
[in]	j_obj	JSON object

Definition at line 194 of file mechanism_data.F90.

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◆ pack_size()

integer(kind=i_kind) function camp_mechanism_data::pack_size	(	class(mechanism_data_t), intent(in)	this,
		integer, intent(in)	comm )

private

Determine the size of a binary required to pack the mechanism.

Parameters

[in]	this	Chemical mechanism
[in]	comm	MPI communicator

Definition at line 322 of file mechanism_data.F90.

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◆ ptr_finalize()

subroutine camp_mechanism_data::ptr_finalize ( type(mechanism_data_ptr), intent(inout) this )

private

Finalize a pointer to mechanism data.

Parameters

[in,out] this Pointer to mechanism data

Definition at line 472 of file mechanism_data.F90.

◆ ptr_finalize_array()

subroutine camp_mechanism_data::ptr_finalize_array ( type(mechanism_data_ptr), dimension(:), intent(inout) this )

private

Finalize an array of mechanism data pointers.

Parameters

[in,out] this Array of mechanism data pointers

Definition at line 484 of file mechanism_data.F90.

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Variable Documentation

◆ mech_file_unit

integer(kind=i_kind), parameter camp_mechanism_data::mech_file_unit = 16

private

Fixed module file unit.

Definition at line 54 of file mechanism_data.F90.

◆ realloc_inc

integer(kind=i_kind), parameter camp_mechanism_data::realloc_inc = 50

private

Reallocation increment.

Definition at line 52 of file mechanism_data.F90.

Data Types

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ bin_pack()

◆ bin_unpack()

◆ constructor()

◆ dereference()

◆ do_print()

◆ ensure_size()

◆ finalize()

◆ finalize_array()

◆ get_name()

◆ get_rxn()

◆ get_size()

◆ initialize()

◆ load()

◆ pack_size()

◆ ptr_finalize()

◆ ptr_finalize_array()

Variable Documentation

◆ mech_file_unit

◆ realloc_inc