Small key endpoint related bug fixes (#936)

* Remove get by key disable

* Fix eos

* Fix gb

* Fix similarity

* Fix dois

* Fix fermi

* Fix xas

* Fix phonon

* Fix surface props

* Fix electrodes doc position

* Fix robocrys docs

* More doc fixes

* Fix robocrys tags

* Fix doi endpoint key

* Rename grain_boundaries

* Fix XAS query op test

* More xps test fixes

* Typo

* Temp skip matminer related builders tests

* Fix pytest marks

* Comment out tests

* Fix task_id -> material_id

* Fix thermo

emmet-api/emmet/api/routes/materials/thermo/query_operators.py

@@ -75,3 +75,31 @@ def query(
  crit.update({"thermo_type": {"$in": thermo_type_list}})
 
  return {"criteria": crit}
+
+
+class MultiPhaseDiagramIDQuery(QueryOperator):
+ """
+ Method to generate a query for different root-level phase_diagram_id values
+ """
+
+ def query(
+ self,
+ phase_diagram_ids: Optional[str] = Query(
+ None,
+ description="Comma-separated list of phase_diagram_id values to query on",
+ ),
+ ) -> STORE_PARAMS:
+ crit = {} # type: dict
+
+ if phase_diagram_ids:
+ phase_diagram_id_list = [
+ phase_diagram_id.strip()
+ for phase_diagram_id in phase_diagram_ids.split(",")
+ ]
+
+ if len(phase_diagram_id_list) == 1:
+ crit.update({"phase_diagram_id": phase_diagram_id_list[0]})
+ else:
+ crit.update({"phase_diagram_id": {"$in": phase_diagram_id_list}})
+
+ return {"criteria": crit}

emmet-api/emmet/api/routes/materials/thermo/resources.py

@@ -11,6 +11,7 @@
  IsStableQuery,
  MultiThermoIDQuery,
  MultiThermoTypeQuery,
+ MultiPhaseDiagramIDQuery,
 )
 from emmet.api.core.global_header import GlobalHeaderProcessor
 from emmet.api.routes.materials.materials.query_operators import (
@@ -26,10 +27,16 @@ def phase_diagram_resource(phase_diagram_store):
  resource = ReadOnlyResource(
  phase_diagram_store,
  PhaseDiagramDoc,
+ query_operators=[
+ MultiPhaseDiagramIDQuery(),
+ SparseFieldsQuery(
+ ThermoDoc,
+ default_fields=["phase_diagram_id"],
+ ),
+ ],
  tags=["Materials Thermo"],
  sub_path="/thermo/phase_diagram/",
  disable_validation=True,
- enable_default_search=False,
  header_processor=GlobalHeaderProcessor(),
  query_disk_use=False,
  )

emmet-core/emmet/core/dois.py

@@ -17,7 +17,7 @@ class DOIDoc(BaseModel):
  description="Bibtex reference of the material.",
  )
 
- task_id: Optional[str] = Field(
+ material_id: Optional[str] = Field(
  None,
  description="The Materials Project ID of the material. This comes in the form: mp-******.",
  )

emmet-core/emmet/core/eos.py

@@ -23,7 +23,7 @@ class EOSDoc(BaseModel):
  description="Data for each type of equation of state.",
  )
 
- task_id: Optional[str] = Field(
+ material_id: Optional[str] = Field(
  None,
  description="The Materials Project ID of the material. This comes in the form: mp-******.",
  )

emmet-core/emmet/core/fermi.py

@@ -22,7 +22,7 @@ class FermiDoc(BaseModel):
  Is either CBM or VBM for semiconductors, or fermi_surface for metals.",
  )
 
- task_id: Optional[str] = Field(
+ material_id: Optional[str] = Field(
  None,
  description="The Materials Project ID of the material. This comes in the form: mp-******.",
  )

emmet-core/emmet/core/grain_boundary.py

@@ -21,7 +21,7 @@ class GrainBoundaryDoc(BaseModel):
  Grain boundary energies, work of separation...
  """
 
- task_id: Optional[str] = Field(
+ material_id: Optional[str] = Field(
  None,
  description="The Materials Project ID of the material. This comes in the form: mp-******.",
  )

emmet-core/emmet/core/surface_properties.py

@@ -100,7 +100,7 @@ class SurfacePropDoc(BaseModel):
  description="Whether the entry has any reconstructed surfaces.",
  )
 
- task_id: Optional[str] = Field(
+ material_id: Optional[str] = Field(
  None,
  description="The Materials Project ID of the material. This comes in the form: mp-******.",
  )