Load and save projects¶

A complete project brings together structures, experiments, measured data or a calculation range, and analysis settings. Python opens the same saved projects as the application and Command line.

Open a project¶

import edi

project = edi.Project.load('path/to/project')

The same loader accepts a project entry file or a zip archive:

project = edi.Project.load('path/to/project/project.edi')
project = edi.Project.load('project.zip')

Each statement opens a project; choose the input form you have. A project.edi refers to the complete project beside it, rather than being a standalone replacement for all its files.

What a successful load means¶

The loader checks the project as a whole. Experiment links must resolve to the project's structures. A powder experiment declares either observed data with uncertainties or a simulation range. An incomplete, ambiguous or invalid input raises edi.IoError instead of returning a partially populated project.

try:
    project = edi.Project.load('path/to/project')
except edi.IoError as error:
    print(error)

Inspect its contents¶

print(project.metadata.title)
print(project.location)
print([structure.name for structure in project.structures])
print([experiment.name for experiment in project.experiments])
print(project.analysis.fitting_mode)

Collections expose the current model. A complete project can hold several structures and experiments; it is not restricted to one crystal model and one bank.

Save or move the project¶

project.save()
project.save_as('fitted-project')

save() writes to the project's current location. When Python opened a zip, project.location is the zip path and save() rewrites that archive. save_as(folder) writes to a folder and makes it the location for subsequent saves.

Saving rounds values to their output precision and recalculates the displayed model from the saved values. Small numerical changes after a save can therefore reflect the precision of the persisted project.

Hand on an archive¶

project.save()
project.export_zip('shared-project.zip')

export_zip() packages the project's folder as last saved. Save first when you want current in-memory changes included. The exported archive can be opened by the other interfaces.

Read shared data formats for the project structure and Command line files and output for the different archive write-back rule used by commands.