MDMC.exporters package

Subpackages

• MDMC.exporters.configurations package
  • Submodules
  • MDMC.exporters.configurations.ase module
    • ASEExporter
      • ASEExporter.write()
  • MDMC.exporters.configurations.packmol_input module
    • PackmolInputExporter
      • PackmolInputExporter.INDENT
      • PackmolInputExporter.write()
  • Module contents
    • ASEExporter
      • ASEExporter.write()
    • PackmolInputExporter
      • PackmolInputExporter.INDENT
      • PackmolInputExporter.write()

Submodules

MDMC.exporters.exporter module

Module for exporter abstract class

class MDMC.exporters.exporter.Exporter(file_name: str)

Bases: ABC

Abstract context manager class that defines methods common to all exporters.

Parameters:

file_name (str) – name of file to export

abstract write(obj, **settings: dict) → None

Writes the file data in the correct format.

For exporters which are not specific to one data type, the calling class must be determined so that the file data can be parsed into the appropriate data type.

Parameters:

• obj – The object to be exported.

• **settings (dict) – dictionary of settings for exporter

Module contents

Exporters for MDMC objects.