Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Parse output labels automatically #770

Merged
merged 68 commits into from
Aug 2, 2023
Merged

Parse output labels automatically #770

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
68 commits
Select commit Hold shift + click to select a range
2aba463
Refactor: extract method for batch-updating input
liamhuber Jul 12, 2023
bd20e53
Use __call__ to batch-update inputs
liamhuber Jul 12, 2023
0887a9b
Copy in Sam's output parser from pyiron_contrib issue #717
samwaseda Jul 13, 2023
a9fd2d7
:bug: fix typo calling the wrong function
liamhuber Jul 13, 2023
2d65340
Handle functions that have non-zero indentation
liamhuber Jul 13, 2023
ea605de
Add a test for methods
liamhuber Jul 13, 2023
b472e3f
Control flow of output attribute more tightly
liamhuber Jul 13, 2023
6a11841
Handle and test None returns
liamhuber Jul 13, 2023
31abcfb
Raise an exception when multiple return values are encountered
liamhuber Jul 13, 2023
1ed3a6e
Parse on instantiation
liamhuber Jul 13, 2023
1745eef
Add docstring
liamhuber Jul 13, 2023
d369a86
_Allow_ not passing output labels
liamhuber Jul 13, 2023
bc203e5
Modify docstring to change spec
liamhuber Jul 13, 2023
716c1df
Make output labels optional
liamhuber Jul 13, 2023
40cf7e5
Fix the rest of the function tests
liamhuber Jul 13, 2023
6c9c489
Propagate changes to the rest of code and tests
liamhuber Jul 13, 2023
b1d4680
Handle no data output
liamhuber Jul 14, 2023
a2832f4
Update example
liamhuber Jul 14, 2023
5880124
Let specified labels totally override scraping
liamhuber Jul 14, 2023
2c27802
Update function docs
liamhuber Jul 14, 2023
be6485c
Update workflow docs
liamhuber Jul 14, 2023
0d105f7
Patch env files with executor dependence
liamhuber Jul 14, 2023
dd3e0fe
Update env file
pyiron-runner Jul 14, 2023
760c3c3
Format black
pyiron-runner Jul 14, 2023
6d194ff
Update integration test
liamhuber Jul 14, 2023
fb16538
Merge remote-tracking branch 'origin/parse_output_labels' into parse_…
liamhuber Jul 14, 2023
c7227eb
Satisfy codacy nits
liamhuber Jul 14, 2023
e7b67e4
Rebasing args as input onto output labels as kwargs
liamhuber Jul 12, 2023
9cab601
Use __call__ to batch-update inputs
liamhuber Jul 12, 2023
b02f814
Make output label a kwarg not arg
liamhuber Jul 17, 2023
0d7f546
Merge remote-tracking branch 'origin/node_input_as_args' into node_in…
liamhuber Jul 17, 2023
3647d90
Split test into subtests
liamhuber Jul 17, 2023
83dfabb
Fail more generally if input not found
liamhuber Jul 17, 2023
3973489
Make error message more informative
liamhuber Jul 17, 2023
8233cb0
Refactor: pull method up to parent
liamhuber Jul 17, 2023
8b541fd
Move call up to Node
liamhuber Jul 17, 2023
75e5cfe
Test unused kwargs showing up in the call
liamhuber Jul 17, 2023
24eced0
Use update directly
liamhuber Jul 17, 2023
667ac4e
Merge branch 'main' into parse_output_labels
liamhuber Jul 17, 2023
2a6a5ea
Merge branch 'parse_output_labels' into node_input_as_args
liamhuber Jul 17, 2023
65a331f
Merge branch 'main' into parse_output_labels
liamhuber Jul 17, 2023
33f770c
Update SingleValueNode tests
liamhuber Jul 17, 2023
e9a8fca
Merge branch 'parse_output_labels' into node_input_as_args
liamhuber Jul 17, 2023
8c4a2d4
Also parse args at input
liamhuber Jul 17, 2023
a591b1e
:bug: Allow args in children of Function as well
liamhuber Jul 17, 2023
846c177
:bug: remove output label specification
liamhuber Jul 17, 2023
c86acd9
Test calling a workflow
liamhuber Jul 17, 2023
4f90521
Add __call__ stuff to docstrings
liamhuber Jul 17, 2023
4fa1d30
Update the example notebook
liamhuber Jul 17, 2023
cd78ea7
Refactor: Rename function
liamhuber Jul 18, 2023
5d896a5
Make Composite conform to abstract Node spec
liamhuber Jul 18, 2023
23fea77
Disallow executors for composite nodes
liamhuber Jul 18, 2023
9b7e234
Fail cleanly with function nodes that use self too
liamhuber Jul 18, 2023
2c4b300
Add explanatory comment for devs
liamhuber Jul 18, 2023
5b3835d
:bug: finish renaming the function used in the test suite
liamhuber Jul 18, 2023
74adeee
Return output when calling `run`
liamhuber Jul 18, 2023
712afb9
Consistently pass the Node.run_on_updates kwarg through in children
liamhuber Jul 18, 2023
0ce3d35
Update Node docs
liamhuber Jul 19, 2023
1de973f
Update Function docs
liamhuber Jul 19, 2023
c6ee0ca
Update Compositedocs
liamhuber Jul 19, 2023
c20937b
Have Composite and Workflow run on update by default
liamhuber Jul 19, 2023
b796753
Update Workflow docs
liamhuber Jul 19, 2023
b674f36
Notebook: update topic order
liamhuber Jul 19, 2023
52028eb
Notebook: show how run returns values
liamhuber Jul 19, 2023
98542ce
Merge pull request #778 from pyiron/return_on_run
liamhuber Aug 2, 2023
00362ba
Merge pull request #777 from pyiron/clean_executor_fails
liamhuber Aug 2, 2023
f0434bd
Merge pull request #769 from pyiron/node_input_as_args
liamhuber Aug 2, 2023
0e72e89
Format black
pyiron-runner Aug 2, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
1 change: 1 addition & 0 deletions .binder/environment.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@ channels:
- conda-forge
dependencies:
- ase =3.22.1
- cloudpickle
- coveralls
- coverage
- codacy-coverage
Expand Down
1 change: 1 addition & 0 deletions .ci_support/environment.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@ channels:
- conda-forge
dependencies:
- ase =3.22.1
- cloudpickle
- coveralls
- coverage
- codacy-coverage
Expand Down
1 change: 1 addition & 0 deletions docs/environment.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@ dependencies:
- ipykernel
- nbsphinx
- ase =3.22.1
- cloudpickle
- coveralls
- coverage
- codacy-coverage
Expand Down
Loading