emmet-builders 0.84.10rc1__py3-none-any.whl → 0.84.10rc2__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
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- emmet/builders/materials/elasticity.py +3 -2
- emmet/builders/materials/substrates.py +2 -2
- emmet/builders/materials/summary.py +2 -2
- {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.84.10rc2.dist-info}/METADATA +1 -1
- {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.84.10rc2.dist-info}/RECORD +7 -7
- {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.84.10rc2.dist-info}/WHEEL +0 -0
- {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.84.10rc2.dist-info}/top_level.txt +0 -0
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@@ -30,7 +30,6 @@ from pymatgen.core import Structure
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from pymatgen.core.tensors import TensorMapping
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from emmet.core.elasticity import ElasticityDoc
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from emmet.core.mpid import MPID
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from emmet.core.utils import jsanitize
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from emmet.core.vasp.calc_types import CalcType
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@@ -40,6 +39,8 @@ if TYPE_CHECKING:
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from collections.abc import Generator
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from typing import Any
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from emmet.core.mpid import AlphaID, MPID
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class ElasticityBuilder(Builder):
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def __init__(
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@@ -136,7 +137,7 @@ class ElasticityBuilder(Builder):
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yield material_id, calc_types, tasks
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def process_item(
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self, item: tuple[MPID, dict[str, str], list[dict]]
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self, item: tuple[MPID | AlphaID, dict[str, str], list[dict]]
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) -> dict | None:
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"""
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Process all tasks belong to the same material into an elasticity doc.
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@@ -7,7 +7,7 @@ from pymatgen.analysis.elasticity.elastic import ElasticTensor
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from pymatgen.core.structure import Structure
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from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
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from emmet.core.mpid import
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from emmet.core.mpid import AlphaID
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from emmet.core.substrates import SubstratesDoc
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from emmet.core.utils import jsanitize
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@@ -108,7 +108,7 @@ class SubstratesBuilder(Builder):
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dict: a diffraction dict
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"""
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mpid =
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mpid = AlphaID(item["material_id"])
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elastic_tensor = item.get("elastic_tensor", None)
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elastic_tensor = (
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ElasticTensor.from_voigt(elastic_tensor) if elastic_tensor else None
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@@ -3,7 +3,7 @@ from math import ceil
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from maggma.builders import Builder
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from maggma.utils import grouper
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from emmet.core.mpid import
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from emmet.core.mpid import AlphaID
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from emmet.core.summary import SummaryDoc, HasProps
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from emmet.core.utils import jsanitize
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from emmet.core.thermo import ThermoType
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@@ -214,7 +214,7 @@ class SummaryBuilder(Builder):
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yield {"query": {self.materials.key: {"$in": list(split)}}}
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def process_item(self, item):
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material_id =
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material_id = AlphaID(item[HasProps.materials.value]["material_id"])
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doc = SummaryDoc.from_docs(material_id=material_id, **item)
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return jsanitize(doc.model_dump(exclude_none=False), allow_bson=True)
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@@ -14,7 +14,7 @@ emmet/builders/materials/bonds.py,sha256=TFfkfKG1-7zcim9gPJqRz1UcyVN_px0889VWhSI
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emmet/builders/materials/chemenv.py,sha256=ZTR6_VyAif3yvcSy8xagBkmKczZsDD3LC77RMKi4E0U,1191
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emmet/builders/materials/corrected_entries.py,sha256=LjetapbRAU1VZteC5E9FLkvp-YprVNiWeNBAtX_qbKA,12475
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emmet/builders/materials/dielectric.py,sha256=1hxNm_9mAuNauKEnd5p99lByQ6pWqg5mEWBUACKJpeQ,6610
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emmet/builders/materials/elasticity.py,sha256=
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emmet/builders/materials/elasticity.py,sha256=IM0xzMVFX-w1V4Sz-7lRdmlimqHxqaADN9meJdlcY8g,16354
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emmet/builders/materials/electrodes.py,sha256=aBHwIuN1r-YQx2ooAwHlqInFNpZoUamyn1bvmxZPaWM,23829
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emmet/builders/materials/electronic_structure.py,sha256=S_LRIg5N9mrP81Xu_KM9YOage_DpbDfPuT12LV1CGT0,29431
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emmet/builders/materials/magnetism.py,sha256=WYFrlcYpOOzeGeFlwAIf3y-DfLFCfkyYeao7pjFYDP8,4688
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@@ -25,8 +25,8 @@ emmet/builders/materials/piezoelectric.py,sha256=oHWr4fcpSgCCh_dqgpKSWJqnhb-lxvg
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emmet/builders/materials/provenance.py,sha256=kkCQnMFBynP2k0I_BQ6Z29LcjXAMnUavMjfc6unnm48,9093
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emmet/builders/materials/robocrys.py,sha256=6nVAgqsk2T9VdibCR2eZeVosqwJ2lEt_Yr_4hzotEIA,1257
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emmet/builders/materials/similarity.py,sha256=SIqdmPgs3f7oUQCeu0IBh26y_evYWc0EOEvbIALl-0s,5414
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emmet/builders/materials/substrates.py,sha256=
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emmet/builders/materials/summary.py,sha256=
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emmet/builders/materials/substrates.py,sha256=cdHNYabSvsdONWUP4alU73PpMzHc4DYLuEdUpIZETds,6132
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emmet/builders/materials/summary.py,sha256=CWDzUSTds2AQ4bIDoJUHX6KLzrDLMRC0GBHt7zIuWoQ,8025
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emmet/builders/materials/thermo.py,sha256=oOH-8IEyUxNckXniFCe_-En2rTG2bNybudqdrf9ztL4,10988
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emmet/builders/matscholar/missing_compositions.py,sha256=6prFb3mmvr_y12XIzZ8w8SiHLEone1B6Hxyq6cTusSE,8704
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emmet/builders/mobility/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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@@ -48,7 +48,7 @@ emmet/builders/vasp/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSu
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emmet/builders/vasp/materials.py,sha256=CEW7kRhaBvFhLW_UB4reTGDXSnrMTCGj2WeLDj5qnV0,12987
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emmet/builders/vasp/mp_potcar_stats.json.gz,sha256=x3bn4gSMj1U_3bR2qKIaBtbJlYT-EJgoUIMFTA9bvaU,338957
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emmet/builders/vasp/task_validator.py,sha256=Fmi6TvjE8pWkRRtb8z-D7bh14MH_PaLazesinJV6mK4,2923
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emmet_builders-0.84.
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emmet_builders-0.84.
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emmet_builders-0.84.
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emmet_builders-0.84.
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emmet_builders-0.84.10rc2.dist-info/METADATA,sha256=mu47MvsDyFzL9GVWT8F_HQh_yx70IZbq4N1XuQVVC1c,2407
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emmet_builders-0.84.10rc2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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emmet_builders-0.84.10rc2.dist-info/top_level.txt,sha256=6GcpbmWPeFhNCTfDFilb8GQ4T1UQu4z9c5jpobjwE-Q,6
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emmet_builders-0.84.10rc2.dist-info/RECORD,,
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File without changes
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File without changes
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