Miscelaneous functions

Metadata associated with one of the format Chemfiles can read/write

• name::String

  Name of the format

• extension::Union{Nothing, String}

  Extension associated with the format, or nothing if there is no extension associated.

• description::String

  Extended user-facing description of the format

• reference::String

  URL pointing to the format definition/reference

• read::Bool

  Is reading files in this format implemented?

• write::Bool

  Is writing files in this format implemented?

• memory::Bool

  Does this format support in-memory IO?

• positions::Bool

  Does this format support storing atomic positions?

• velocities::Bool

  Does this format support storing atomic velocities?

• unit_cell::Bool

  Does this format support storing unit cell information?

• atoms::Bool

  Does this format support storing atom names or types?

• bonds::Bool

  Does this format support storing bonds between atoms?

• residues::Bool

  Does this format support storing residues?

add_configuration(path::String)

Read configuration data from the file at path.

By default, chemfiles reads configuration from any file name .chemfilesrc in the current directory or any parent directory. This function can be used to add data from another configuration file.

This function will fail if there is no file at path, or if the file is incorectly formatted. Data from the new configuration file will overwrite any existing data.

clear_errors()

Clear any error messages stored by the chemfiles runtime.

format_list() -> Array{Chemfiles.FormatMetadata,1}

Get the full list of formats supported by Chemfiles, and associated metadata

last_error() -> String

Get the last error message from the chemfiles runtime.

set_warning_callback(callback::Function)

Set the global warning callback to be used for each warning event.

The callback function must take a String and return nothing.