Update to ChargeDensityRester (#396)

* Update ChargeDensityRester [...] Ensure it follows examples set from other routes. * Remove charge density patched methods * Move `MPRester` to root level and remove unnecessary methods * Try using Generics for type hints in `BaseRester` * Remove `query_by_task_id` * Add type hint * Add type hints for all routes * Remove all type hint stubs * Remove unnecessary `type: ignore` * Add type hints throughout and propagate `use_document_model` kwarg * Change `query` to `_query_resource_data` to avoid confusion with `search` and old `MPRester.query` Specifically, `_query_resource_data` only returns a single page of results which could be misleading. It's really an internal method. * Allow same instance of `BaseRester` to be used in multiple contexts * Make `use_document_model` and `monty_decode` instance attributes * Add type hints * Remove unimplemented method * Fix client for POST documents * Add tolerances from Emmet to `find_structure` + fix bug * Use Emmet `TaskType`, add user_settings type hint, `NotImplementedError` for `notify_db_version` * Import `UserSettingsRester` * Change `user_settings` to `_user_settings` * Update UserSettingsRester with appropriate metadata * Ensure `tqdm` total document count respects paging * Add `download_for_task_ids` * Add only specific fields * Add `_user_settings` * Update for BaseRester changes, change for `task_id` from `calculation_id` for consistency * Restore code from bad refactor * Change to use attribute from document model * Temporarily remove substrates, surfaces tests FYI @munrojm, think these are superfluous, possibly pending adding the miller index info to the API endpoint * Also comment out get_gb_data * Remove `use_document_model` * Use attributes for surface properties document * Add check for sub-urls * Add better check for suburl * Clarify `find_structure` behavior + add `allow_multiple_results` kwarg * Allow for multiple types of POST that may return a single document or list of documents * Add missing type hint * Try to bugs introduced when refactoring `use_document_model` * Add new Charge Density methods * Fix electronis structure tests * Enable get_by_key for charge density endpoint * Small test fixes * Add chgcar client tests * Linting and temp xfail * mypy fixes * More linting * Fix start imports with flake8 * Clean up mprester test Co-authored-by: Jason Munro <jmunro@lbl.gov>
materialsproject · Oct 13, 2021 · abf3ffc · abf3ffc
1 parent 8f810d8
commit abf3ffc
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diff --git a/app.py b/app.py
@@ -296,7 +296,6 @@
         collection_name="settings",
     )
 
-
 else:
     materials_store = loadfn(materials_store_json)
     formula_autocomplete_store = loadfn(formula_autocomplete_store_json)
@@ -525,7 +524,7 @@
 # Consumers
 from mp_api.routes._consumer.resources import settings_resource
 
-resources.update({"user_settings": [settings_resource(consumer_settings_store)]})
+resources.update({"_user_settings": [settings_resource(consumer_settings_store)]})
 
 # === MAPI setup
 from mp_api.core.documentation import description, tags_meta

diff --git a/setup.cfg b/setup.cfg
@@ -11,7 +11,7 @@ exclude = documentation.py
 [flake8]
 exclude = .git,__pycache__,docs_rst/conf.py,tests,__init__.py,documentation.py
 # max-complexity = 10
-extend-ignore = E741, F401, F403
+extend-ignore = E741, F401, F403, F405
 max-line-length = 120
 
 [pydocstyle]

diff --git a/src/mp_api/__init__.py b/src/mp_api/__init__.py
@@ -3,9 +3,11 @@
 import os
 from monty.serialization import loadfn
 from pkg_resources import get_distribution, DistributionNotFound
+from mp_api.client import MPRester
 
 try:
     from setuptools_scm import get_version
+
     __version__ = get_version(root="../../", relative_to=__file__)
 except (ImportError, LookupError):  # pragma: no cover
     try: