A chemical mechanism. More...

Collaboration diagram for camp_mechanism_data::mechanism_data_t:

Public Member Functions
procedure	load (this, json, j_obj)
	Load reactions from an input file.

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

procedure	name (this)
	Get the mechanism name.

procedure	size (this)
	Get the size of the reaction database.

procedure	get_rxn (this, rxn_id)
	Get a reaction by its index.

procedure	pack_size (this, comm)
	Determine the number of bytes required to pack the given value.

procedure	bin_pack (this, buffer, pos, comm)
	Packs the given value into the buffer, advancing position.

procedure	bin_unpack (this, buffer, pos, comm)
	Unpacks the given value from the buffer, advancing position.

procedure	print (this, file_unit)
	Print the mechanism data.

final	finalize (this)
	Finalize the mechanism.

Public Attributes
character(len=:), allocatable	mech_name
	Mechanism name.

character(len=:), allocatable	fixed_file_prefix
	Path and prefix for fixed module output.

type(rxn_data_ptr), dimension(:), pointer	rxn_ptr => null()
	Reactions.

Private Member Functions
procedure, private	ensure_size (this, num_rxn)
	Ensure there is enough room in the reaction dataset to add a specified number of reactions.

Private Attributes
integer(kind=i_kind)	num_rxn = 0
	Number of reactions.

Detailed Description

A chemical mechanism.

Instances of mechanism_data_t represent complete CAMP: Chemical Mechanism chemical mechanism. Multiple mechanisms may be used during one model run and will be solved simultaneously.

Definition at line 60 of file mechanism_data.F90.

Constructor & Destructor Documentation

◆ finalize()

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

final

Finalize the mechanism.

Parameters

[in,out] this Mechanism data

Definition at line 90 of file mechanism_data.F90.

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Member Function/Subroutine Documentation

◆ bin_pack()

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

Packs the given value into 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 84 of file mechanism_data.F90.

◆ bin_unpack()

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

Unpacks the given value from 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 86 of file mechanism_data.F90.

◆ ensure_size()

procedure, private camp_mechanism_data::mechanism_data_t::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 95 of file mechanism_data.F90.

◆ get_rxn()

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

Get a reaction by its index.

Returns: Pointer to the reaction

Parameters

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

Definition at line 80 of file mechanism_data.F90.

◆ initialize()

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

Initialize the mechanism.

Parameters

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

Definition at line 74 of file mechanism_data.F90.

◆ load()

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

Load reactions from an input file.

Parameters

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

Definition at line 72 of file mechanism_data.F90.

◆ name()

procedure camp_mechanism_data::mechanism_data_t::name ( class(mechanism_data_t), intent(in) this )

Get the mechanism name.

Returns: Name of the mechanism

Parameters

[in] this Chemical mechanism

Definition at line 76 of file mechanism_data.F90.

◆ pack_size()

procedure camp_mechanism_data::mechanism_data_t::pack_size	(	class(mechanism_data_t), intent(in)	this,
		integer, intent(in)	comm
	)

Determine the number of bytes required to pack the given value.

Parameters

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

Definition at line 82 of file mechanism_data.F90.

◆ print()

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

Print the mechanism data.

Parameters

[in]	this	Chemical mechanism
	file_unit	File unit for output

Definition at line 88 of file mechanism_data.F90.

◆ size()

procedure camp_mechanism_data::mechanism_data_t::size ( class(mechanism_data_t), intent(in) this )

Get the size of the reaction database.

Parameters

[in] this Chemical mechanism

Definition at line 78 of file mechanism_data.F90.

Member Data Documentation

◆ fixed_file_prefix

character(len=:), allocatable camp_mechanism_data::mechanism_data_t::fixed_file_prefix

Path and prefix for fixed module output.

Definition at line 67 of file mechanism_data.F90.

◆ mech_name

character(len=:), allocatable camp_mechanism_data::mechanism_data_t::mech_name

Mechanism name.

Definition at line 65 of file mechanism_data.F90.

◆ num_rxn

integer(kind=i_kind) camp_mechanism_data::mechanism_data_t::num_rxn = 0

private

Number of reactions.

Definition at line 63 of file mechanism_data.F90.

◆ rxn_ptr

type(rxn_data_ptr), dimension(:), pointer camp_mechanism_data::mechanism_data_t::rxn_ptr => null()

Reactions.

Definition at line 69 of file mechanism_data.F90.

The documentation for this interface was generated from the following file:

mechanism_data.F90

Public Member Functions

Public Attributes

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ finalize()

Member Function/Subroutine Documentation

◆ bin_pack()

◆ bin_unpack()

◆ ensure_size()

◆ get_rxn()

◆ initialize()

◆ load()

◆ name()

◆ pack_size()

◆ print()

◆ size()

Member Data Documentation

◆ fixed_file_prefix

◆ mech_name

◆ num_rxn

◆ rxn_ptr