The input JSON#

Key

JSON data type

Value

Feature types

Applicable

config

object

The user’s stored configuration of the plugin

All

user-config is specified

cjson

object

The current CJSON file in full

All except file-formats

input-cjson = true or input-format = "cjson"

xyz, cml, pdb, cif, sdf, mdl, mol, etc.

string

The contents of a file in the respective format

All except file-formats

input-format = <fmt>

file

string

A path to a file in the filesystem

file-formats

Always

options

object

Key/value pairs for each option requested in user-options

menu-commands, input-generators

Always

points

array of number

The coordinates of the requested points

electrostatic-models

Called with --potentials

selectedAtoms

array of number

The indices of the atoms that are currently selected

menu-commands

Always

The output JSON#

Key

JSON data type

Value

Feature types

Applicable

message

string

A message to display to the user in a pop-up dialog

All

Always

error

string

Similar, but displays an error, and the plugin is stopped

All

Always

config

object

The user’s configuration of the plugin as it should be saved

All

user-config is specified

cjson

object

A CJSON file to be loaded

All?

output-format = "cjson"

xyz, cml, pdb, cif, sdf, mdl, mol, etc.

string

The contents of a file in the respective format

All?

output-format = <fmt>

charges

array of number

The partial charges on each atom

electrostatic-models

Called with --charges

potentials

array of number

The electrostatic potential at each requested point

electrostatic-models

Called with --potentials

bond

bool

Whether Avogadro should run automatic bond perception

menu-commands

Always

selectedAtoms

array of number

The indices of the atoms that Avogadro should select

menu-commands

Always

warnings

array of string

Non-fatal warnings to be shown in the generator’s dialog

input-generators

Always

generatedFiles

object

Details of several files

input-generators

Always

mainFile

string

The primary input file for a calculation

input-generators

Always