ICON-ART/std ICON-ART/std

YAML arguments

The following arguments are used to configure the plugin. pyCIF will return an exception at the initialization if mandatory arguments are not specified, or if any argument does not fit accepted values or type:

Mandatory arguments

schemeid : str, mandatory

Name of the chemical scheme

Optional arguments

dir_precomp : str, optional

Directory where pre-defined chemical schemes are stored. The assumed structure is: ${dir_precomp}/${schemeid}/

acspecies : optional

List of active species and corresponding parameters

Argument structure:

any_key : optional

Name of a species.

Argument structure:

mass : optional

Molar mass of the species

emis_species : optional

Corresponding emitted species (OEM categories)

YAML template

Please find below a template for a YAML configuration:

chemistry:
  plugin:
    name: ICON-ART
    version: std
    type: chemistry

  # Mandatory arguments
  schemeid: XXXXX  # str

  # Optional arguments
  dir_precomp: XXXXX  # str
  acspecies:
    any_key:
      mass: XXXXX  # any
      emis_species: XXXXX  # any