The chem_spec_data_t structure and associated subroutines. More...

Data Types
interface	chem_spec_data_t
	Chemical species data. More...

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

subroutine	load (this, json, j_obj)
	Load species from an input file.

subroutine	initialize (this)
	Initialize the species set.

integer(kind=i_kind) function	get_size (this, spec_type, spec_phase)
	Get the number of species with the given properties. If no properties are specified, return the total number of species.

logical function	exists (this, spec_name)
	Check if a species name is in the set of chemical species.

type(string_t) function, dimension(:), allocatable	get_spec_names (this, spec_type, spec_phase)
	Get a list of species names.

logical function	get_property_set (this, spec_name, property_set)
	Get a species property set. Returns true if the species is found, or false otherwise.

logical function	get_type (this, spec_name, spec_type)
	Get a species type by species name. Returns true if the species is found or false otherwise.

logical function	get_phase (this, spec_name, spec_phase)
	Get a species phase by name. Returns true if the species is found, or false otherwise.

logical function	get_abs_tol (this, spec_name, abs_tol)
	Get the absolute integration tolerance of a species by name. Returns true if the species is found, or false otherwise.

integer(kind=i_kind) function	gas_state_id (this, spec_name)
	Get a gas-phase species index in the `camp_camp_state::camp_state_t::state_var` array. Note that aerosol-phase species indices on the `camp_camp_state::camp_state_t::state_var` array must be accessed from `camp_aero_rep_data::aero_rep_data_t::spec_state_id()` for a particular aerosol representation. Returns a valid state array index if the species is found, or 0 otherwise.

character(len=:) function, allocatable	gas_state_name (this, spec_id)
	Get a gas-phase species name in the `camp_camp_state::camp_state_t::state_var` array. Note that aerosol-phase species names on the `camp_camp_state::camp_state_t::state_var` array must be accessed from `camp_aero_rep_data::aero_rep_data_t::spec_state_id()` for a particular aerosol representation. Returns a valid state array index if the species is found, or 0 otherwise.

subroutine	do_print (this, file_unit)
	Print out the species data.

elemental subroutine	finalize (this)
	Finalize the chemical species data.

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

subroutine	add (this, spec_name, spec_type, spec_phase, property_set)
	Add a new chemical species.

logical function	find (this, spec_name, spec_id)
	Get the index of a chemical species by name. Returns true if the species is found or false otherwise.

Variables
integer(kind=i_kind), parameter, public	chem_spec_unknown_type = 0
	State variable types (Must match values in camp_solver.c)

integer(kind=i_kind), parameter, public	chem_spec_variable = 1

integer(kind=i_kind), parameter, public	chem_spec_constant = 2

integer(kind=i_kind), parameter, public	chem_spec_pssa = 3

integer(kind=i_kind), parameter, public	chem_spec_activity_coeff = 4

integer(kind=i_kind), parameter, public	chem_spec_unknown_phase = 0
	Species phase.

integer(kind=i_kind), parameter, public	chem_spec_gas_phase = 1

integer(kind=i_kind), parameter, public	chem_spec_aero_phase = 2

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

real(kind=dp), parameter	default_abs_tol = 1.0e-14
	Default absolute integration tolerance.

Detailed Description

The chem_spec_data_t structure and associated subroutines.

Function/Subroutine Documentation

◆ add()

subroutine camp_chem_spec_data::add	(	class(chem_spec_data_t), intent(inout)	this,
		character(len=*), intent(in)	spec_name,
		integer(kind=i_kind), intent(inout)	spec_type,
		integer(kind=i_kind), intent(inout)	spec_phase,
		type(property_t), intent(inout), optional	property_set
	)

private

Add a new chemical species.

Parameters

[in,out]	this	Species dataset
[in]	spec_name	Name of species to add
[in,out]	spec_type	State variable type
[in,out]	spec_phase	Species phase
[in,out]	property_set	Property set for new species

Definition at line 714 of file chem_spec_data.F90.

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◆ constructor()

type(chem_spec_data_t) function, pointer camp_chem_spec_data::constructor ( integer(i_kind), intent(in), optional init_size )

private

Constructor for chem_spec_data_t.

Returns: A new set of chemical species

Parameters

[in] init_size Number of species to allocate space for initially

Definition at line 138 of file chem_spec_data.F90.

◆ do_print()

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

private

Print out the species data.

Parameters

[in]	this	Chemical species data
[in]	file_unit	File unit for output

Definition at line 607 of file chem_spec_data.F90.

◆ ensure_size()

subroutine camp_chem_spec_data::ensure_size	(	class(chem_spec_data_t), intent(inout)	this,
		integer(i_kind), intent(in)	num_spec
	)

private

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

Parameters

[in,out]	this	Species dataset
[in]	num_spec	Number of new species to ensure space for

Definition at line 676 of file chem_spec_data.F90.

◆ exists()

logical function camp_chem_spec_data::exists	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name
	)

private

Check if a species name is in the set of chemical species.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name

Definition at line 380 of file chem_spec_data.F90.

◆ finalize()

elemental subroutine camp_chem_spec_data::finalize ( type(chem_spec_data_t), intent(inout) this )

private

Finalize the chemical species data.

Parameters

[in,out] this Species dataset

Definition at line 660 of file chem_spec_data.F90.

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◆ find()

logical function camp_chem_spec_data::find	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name,
		integer(kind=i_kind), intent(out)	spec_id
	)

private

Get the index of a chemical species by name. Returns true if the species is found or false otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name
[out]	spec_id	Species id

Definition at line 773 of file chem_spec_data.F90.

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◆ gas_state_id()

integer(kind=i_kind) function camp_chem_spec_data::gas_state_id	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name
	)

private

Get a gas-phase species index in the camp_camp_state::camp_state_t::state_var array. Note that aerosol-phase species indices on the camp_camp_state::camp_state_t::state_var array must be accessed from camp_aero_rep_data::aero_rep_data_t::spec_state_id() for a particular aerosol representation. Returns a valid state array index if the species is found, or 0 otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name

Definition at line 551 of file chem_spec_data.F90.

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◆ gas_state_name()

character(len=:) function, allocatable camp_chem_spec_data::gas_state_name	(	class(chem_spec_data_t), intent(in)	this,
		integer(kind=i_kind), intent(in)	spec_id
	)

private

Get a gas-phase species name in the camp_camp_state::camp_state_t::state_var array. Note that aerosol-phase species names on the camp_camp_state::camp_state_t::state_var array must be accessed from camp_aero_rep_data::aero_rep_data_t::spec_state_id() for a particular aerosol representation. Returns a valid state array index if the species is found, or 0 otherwise.

Returns: Species name

Parameters

[in]	this	Species dataset
[in]	spec_id	Species id

Definition at line 580 of file chem_spec_data.F90.

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◆ get_abs_tol()

logical function camp_chem_spec_data::get_abs_tol	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name,
		real(kind=dp), intent(out)	abs_tol
	)

private

Get the absolute integration tolerance of a species by name. Returns true if the species is found, or false otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name
[out]	abs_tol	Absolute integration tolerance

Definition at line 517 of file chem_spec_data.F90.

◆ get_phase()

logical function camp_chem_spec_data::get_phase	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name,
		integer(kind=i_kind), intent(out)	spec_phase
	)

private

Get a species phase by name. Returns true if the species is found, or false otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name to find properties of
[out]	spec_phase	Species phase

Definition at line 495 of file chem_spec_data.F90.

◆ get_property_set()

logical function camp_chem_spec_data::get_property_set	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name,
		type(property_t), intent(out), pointer	property_set
	)

private

Get a species property set. Returns true if the species is found, or false otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name to find properties of
[out]	property_set	Pointer to species properties

Definition at line 452 of file chem_spec_data.F90.

◆ get_size()

integer(kind=i_kind) function camp_chem_spec_data::get_size	(	class(chem_spec_data_t), intent(in)	this,
		integer(kind=i_kind), intent(in), optional	spec_type,
		integer(kind=i_kind), intent(in), optional	spec_phase
	)

private

Get the number of species with the given properties. If no properties are specified, return the total number of species.

Parameters

[in]	this	Species database
[in]	spec_type	State variable type for the species
[in]	spec_phase	Phase of the species

Definition at line 346 of file chem_spec_data.F90.

◆ get_spec_names()

type(string_t) function, dimension(:), allocatable camp_chem_spec_data::get_spec_names	(	class(chem_spec_data_t), intent(in)	this,
		integer(kind=i_kind), intent(in), optional	spec_type,
		integer(kind=i_kind), intent(in), optional	spec_phase
	)

private

Get a list of species names.

If a type or phase are specified, only species with the specified values are returned. Otherwise, all species names are returned.

Returns: Species names

Parameters

[in]	this	Species dataset
[in]	spec_type	State variable type for the species
[in]	spec_phase	Phase of the species

Definition at line 400 of file chem_spec_data.F90.

◆ get_type()

logical function camp_chem_spec_data::get_type	(	class(chem_spec_data_t), intent(in)	this,
		character(len=*), intent(in)	spec_name,
		integer(kind=i_kind), intent(out)	spec_type
	)

private

Get a species type by species name. Returns true if the species is found or false otherwise.

Parameters

[in]	this	Species dataset
[in]	spec_name	Species name to find properties of
[out]	spec_type	Species type

Definition at line 474 of file chem_spec_data.F90.

◆ initialize()

subroutine camp_chem_spec_data::initialize ( class(chem_spec_data_t), intent(inout) this )

private

Initialize the species set.

Parameters

[in,out] this Species database

Definition at line 320 of file chem_spec_data.F90.

◆ load()

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

private

Load species from an input file.

Parameters

[in,out]	this	Species dataset
[in]	json	JSON core
[in]	j_obj	JSON object

Definition at line 212 of file chem_spec_data.F90.

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Variable Documentation

◆ chem_spec_activity_coeff

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_activity_coeff = 4

Definition at line 53 of file chem_spec_data.F90.

◆ chem_spec_aero_phase

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_aero_phase = 2

Definition at line 58 of file chem_spec_data.F90.

◆ chem_spec_constant

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_constant = 2

Definition at line 51 of file chem_spec_data.F90.

◆ chem_spec_gas_phase

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_gas_phase = 1

Definition at line 57 of file chem_spec_data.F90.

◆ chem_spec_pssa

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_pssa = 3

Definition at line 52 of file chem_spec_data.F90.

◆ chem_spec_unknown_phase

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_unknown_phase = 0

Species phase.

Definition at line 56 of file chem_spec_data.F90.

◆ chem_spec_unknown_type

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_unknown_type = 0

State variable types (Must match values in camp_solver.c)

Definition at line 49 of file chem_spec_data.F90.

◆ chem_spec_variable

integer(kind=i_kind), parameter, public camp_chem_spec_data::chem_spec_variable = 1

Definition at line 50 of file chem_spec_data.F90.

◆ default_abs_tol

real(kind=dp), parameter camp_chem_spec_data::default_abs_tol = 1.0e-14

private

Default absolute integration tolerance.

Definition at line 63 of file chem_spec_data.F90.

◆ realloc_inc

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

private

Reallocation increment.

Definition at line 61 of file chem_spec_data.F90.

Data Types

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ add()

◆ constructor()

◆ do_print()

◆ ensure_size()

◆ exists()

◆ finalize()

◆ find()

◆ gas_state_id()

◆ gas_state_name()

◆ get_abs_tol()

◆ get_phase()

◆ get_property_set()

◆ get_size()

◆ get_spec_names()

◆ get_type()

◆ initialize()

◆ load()

Variable Documentation

◆ chem_spec_activity_coeff

◆ chem_spec_aero_phase

◆ chem_spec_constant

◆ chem_spec_gas_phase

◆ chem_spec_pssa

◆ chem_spec_unknown_phase

◆ chem_spec_unknown_type

◆ chem_spec_variable

◆ default_abs_tol

◆ realloc_inc