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Ludwig Schneider
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do changelog
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‎.trunk/configs/.cspell.json

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"Doctests",
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"linenums",
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"XLYOFNOQVPJJNP",
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"CRIPTUUID"
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"CRIPTUUID",
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"rootdir",
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"startswith",
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"pluggy"
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]
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}

‎CHANGELOG.md

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# CRIPT Python SDK Changelog
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## Version 2.4.0
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### New Features
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- `cript.API` searches work as intended.
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- SDK initiated searches can be controlled and interrupted for large queries.
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### Known Issues and Bugs
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- Saving projects is not supported. Temporarily, you can use `get_expanded_json` to store a JSON representation of projects, which can be uploaded into CRIPT at a later time.
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- Permission settings in CRIPT do not influence the behavior of the SDK objects.
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- Tests that require valid tokens (like saving or searching) are not included in CI/CD tests.
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- BigSMILES searches can contain duplicates.
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### Bug Fixes
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- Search is now matched with the API requirements.
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### Breaking Changes
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- The Paginator interface changed to reflect the backend requirements.
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### Health Report
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````shell
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=============================================================================================== test session starts ===============================================================================================
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platform linux -- Python 3.11.2, pytest-7.4.3, pluggy-1.3.0
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rootdir: /home/ludwig/git/Python-SDK
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plugins: cov-4.1.0
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collected 124 items
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tests/test_node_util.py ........... [ 8%]
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tests/api/test_api.py ..... [ 12%]
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tests/api/test_db_schema.py ..... [ 16%]
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tests/api/test_search.py .....F [ 21%]
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tests/nodes/test_utils.py .. [ 23%]
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tests/nodes/primary_nodes/test_collection.py .....F [ 28%]
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tests/nodes/primary_nodes/test_computation.py .....F [ 33%]
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tests/nodes/primary_nodes/test_computational_process.py ....F [ 37%]
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tests/nodes/primary_nodes/test_data.py ....F [ 41%]
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tests/nodes/primary_nodes/test_experiment.py ....F [ 45%]
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tests/nodes/primary_nodes/test_inventory.py ..F [ 47%]
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tests/nodes/primary_nodes/test_material.py ...F [ 50%]
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tests/nodes/primary_nodes/test_process.py .....F [ 55%]
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tests/nodes/primary_nodes/test_project.py ...F [ 58%]
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tests/nodes/primary_nodes/test_reference.py ......F [ 64%]
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tests/nodes/subobjects/test_algorithm.py ..F [ 66%]
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tests/nodes/subobjects/test_citation.py ..F [ 69%]
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tests/nodes/subobjects/test_computational_forcefield.py ..F [ 71%]
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tests/nodes/subobjects/test_condition.py ..F [ 74%]
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tests/nodes/subobjects/test_equipment.py ..F [ 76%]
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tests/nodes/subobjects/test_ingredient.py ..F [ 79%]
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tests/nodes/subobjects/test_parameter.py ..F [ 81%]
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tests/nodes/subobjects/test_property.py ..F [ 83%]
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tests/nodes/subobjects/test_quantity.py ..F [ 86%]
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tests/nodes/subobjects/test_software.py ...F [ 89%]
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tests/nodes/subobjects/test_software_configuration.py ..F [ 91%]
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tests/nodes/supporting_nodes/test_file.py ..s....F [ 98%]
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tests/nodes/supporting_nodes/test_user.py ..
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FAILED tests/nodes/primary_nodes/test_collection.py::test_integration_collection - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_computation.py::test_integration_computation - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_computational_process.py::test_integration_computational_process - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_data.py::test_integration_data - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_experiment.py::test_integration_experiment - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_inventory.py::test_integration_inventory - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_material.py::test_integration_material - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_process.py::test_integration_complex_process - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_project.py::test_integration_project - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/primary_nodes/test_reference.py::test_integration_reference - IndexError: list index out of range
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FAILED tests/nodes/subobjects/test_algorithm.py::test_integration_algorithm - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_citation.py::test_integration_citation - IndexError: list index out of range
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FAILED tests/nodes/subobjects/test_computational_forcefield.py::test_integration_computational_forcefield - AttributeError: 'NoneType' object has no attribute 'description'
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FAILED tests/nodes/subobjects/test_condition.py::test_integration_process_condition - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_equipment.py::test_integration_equipment - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_ingredient.py::test_integration_ingredient - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_parameter.py::test_integration_parameter - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_property.py::test_integration_material_property - IndexError: list index out of range
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FAILED tests/nodes/subobjects/test_quantity.py::test_integration_quantity - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_software.py::test_integration_software - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/subobjects/test_software_configuration.py::test_integration_software_configuration - AttributeError: 'list' object has no attribute 'startswith'
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FAILED tests/nodes/supporting_nodes/test_file.py::test_integration_file - AttributeError: 'list' object has no attribute 'startswith'
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======================================================================== 22 failed, 101 passed, 1 skipped, 1 warning in 1506.18s (0:25:06) ========================================================================
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## Version 2.3.0
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**New Features:**
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### New Features
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- `cript.API` objects now have a `DataSchema` attribute called `schema`, representing the JSON schema for node validation.
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- This includes the ability to enable and disable node validation.
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- Debugging messages show full API requests and responses for debugging.
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- Automated UUID caching for nodes can now be explicitly circumvented when using `cript.load_nodes_from_json`. Mostly useful for development.
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**Known Issues and Bugs:**
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### Known Issues and Bugs
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- Saving projects is not supported. Temporarily, you can use `get_expanded_json` to store a JSON representation of projects, which can be uploaded into CRIPT at a later time.
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- BigSMILES search patterns are not supported.
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- Searching for more than 1000 pages (10000 entries) is not supported.
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- Permission settings in CRIPT do not influence the behavior of the SDK objects.
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- Tests that require valid tokens (like saving or searching) are not included in CI/CD tests.
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**Bugfixes:**
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### Bugfixes
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- `cript.load_nodes_from_json` can now load JSON files that store different nodes in lists or dictionaries.
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- Not all nodes were correctly validated at all times, especially if instantiated from JSON. All nodes are automatically validated now.
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- The documentation has been updated to remove certain mistakes.
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- Users can have only one Python object with the same UUID to avoid mis-updates. This did not work in all cases, but it works in all cases now.
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**Breaking Changes:**
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### Breaking Changes
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- `cript.API()` objects no longer have functions related to JSON schema validation. Please use the new `DataSchema` class instead. The `DataSchema` class can be accessed via the `schema` property of the API class.
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- Indirect logging control via the API is defunct. Please use the direct access to the `logger` attribute of API classes to control logging output.
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FAILED tests/nodes/subobjects/test_software_configuration.py::test_integration_software_configuration - AttributeError: 'list' object has no attribute 'starts with'
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FAILED tests/nodes/supporting_nodes/test_file.py::test_integration_file - AttributeError: 'list' object has no attribute 'starts with'
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======================================================================== 23 failed, 100 passed, 1 skipped, 1 warning in 905.51s (0:15:05) =========================================================================
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```
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````

‎tests/api/test_search.py

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if mat["uuid"] in uuid_list:
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print(mat["uuid"])
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# TODO enable duplicate test
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# assert mat["uuid"] not in uuid_list
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assert mat["uuid"] not in uuid_list
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assert i < 21
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