From 00c32b08a47f5f8406c92c2add641148384590f1 Mon Sep 17 00:00:00 2001
From: munrojm <jmunro@lbl.gov>
Date: Mon, 8 Jan 2024 14:40:55 -0800
Subject: [PATCH 1/3] Initial commit of blessed tasks method

---
 mp_api/client/routes/materials/materials.py | 50 +++++++++++++++++++++
 1 file changed, 50 insertions(+)

diff --git a/mp_api/client/routes/materials/materials.py b/mp_api/client/routes/materials/materials.py
index bf5d20e3b..41a3f84b4 100644
--- a/mp_api/client/routes/materials/materials.py
+++ b/mp_api/client/routes/materials/materials.py
@@ -1,9 +1,11 @@
 from __future__ import annotations
 
 import warnings
+from typing import Optional
 
 from emmet.core.settings import EmmetSettings
 from emmet.core.symmetry import CrystalSystem
+from emmet.core.vasp.calc_types import RunType
 from emmet.core.vasp.material import MaterialsDoc
 from pymatgen.core.structure import Structure
 
@@ -321,3 +323,51 @@ def find_structure(
             return results[0]["material_id"]
         else:
             return []
+
+    def get_blessed_calcs(
+        self,
+        run_type: RunType = RunType.R2SCAN,
+        material_ids: Optional[list[str]] = None,
+        uncorrected_energy: Optional[
+            tuple[Optional[float], Optional[float]] | float
+        ] = None,
+        num_chunks: int | None = None,
+        chunk_size: int = 1000,
+    ):
+        """Get blessed calculation entries for a given material and run type.
+
+        Args:
+            run_type (RunType): Calculation run type (e.g. GGA, GGA+U, R2SCAN, PBESol)
+            material_ids (list[str]): List of material ID values
+            uncorrected_energy (tuple[Optional[float], Optional[float]] | float): Tuple of minimum and maximum uncorrected DFT energy in eV/atom.
+                Note that if a single value is passed, it will be used as the minimum and maximum.
+            num_chunks (int): Maximum number of chunks of data to yield. None will yield all possible.
+            chunk_size (int): Number of data entries per chunk.
+        """
+        query_params: dict = {"run_type": str(run_type)}
+        if material_ids:
+            if isinstance(material_ids, str):
+                material_ids = [material_ids]
+
+            query_params.update({"material_ids": ",".join(validate_ids(material_ids))})
+
+        if uncorrected_energy:
+            if isinstance(uncorrected_energy, float):
+                uncorrected_energy = (uncorrected_energy, uncorrected_energy)
+
+            query_params.update(
+                {
+                    "uncorrected_energy_min": uncorrected_energy[0],  # type: ignore
+                    "uncorrected_energy_max": uncorrected_energy[1],  # type: ignore
+                }
+            )
+
+        results = self._query_resource(
+            query_params,
+            # fields=["material_ids", "entries"],
+            suburl="blessed_tasks",
+            parallel_param="material_ids" if material_ids else None,
+            chunk_size=chunk_size,
+            num_chunks=num_chunks,
+        )
+        return results.get("data")

From 02e91e5f0e6e56410868cce6d7f958ea1657ca5c Mon Sep 17 00:00:00 2001
From: munrojm <jmunro@lbl.gov>
Date: Wed, 10 Jan 2024 07:45:16 -0800
Subject: [PATCH 2/3] Function name change

---
 mp_api/client/routes/materials/materials.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/mp_api/client/routes/materials/materials.py b/mp_api/client/routes/materials/materials.py
index 41a3f84b4..59b82331d 100644
--- a/mp_api/client/routes/materials/materials.py
+++ b/mp_api/client/routes/materials/materials.py
@@ -324,7 +324,7 @@ def find_structure(
         else:
             return []
 
-    def get_blessed_calcs(
+    def get_blessed_entries(
         self,
         run_type: RunType = RunType.R2SCAN,
         material_ids: Optional[list[str]] = None,

From de7e2e62a4db21d11706f6fa9ab04f14b4d0f28a Mon Sep 17 00:00:00 2001
From: Jason Munro <jasonmunro@Jasons-MBP.dhcp.lbl.gov>
Date: Thu, 29 Feb 2024 10:07:59 -0800
Subject: [PATCH 3/3] Linting

---
 mp_api/client/routes/materials/materials.py | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/mp_api/client/routes/materials/materials.py b/mp_api/client/routes/materials/materials.py
index c27434267..e280d27e8 100644
--- a/mp_api/client/routes/materials/materials.py
+++ b/mp_api/client/routes/materials/materials.py
@@ -1,7 +1,5 @@
 from __future__ import annotations
 
-from typing import Optional
-
 from emmet.core.settings import EmmetSettings
 from emmet.core.symmetry import CrystalSystem
 from emmet.core.vasp.calc_types import RunType
@@ -313,10 +311,8 @@ def find_structure(
     def get_blessed_entries(
         self,
         run_type: RunType = RunType.R2SCAN,
-        material_ids: Optional[list[str]] = None,
-        uncorrected_energy: Optional[
-            tuple[Optional[float], Optional[float]] | float
-        ] = None,
+        material_ids: list[str] | None = None,
+        uncorrected_energy: tuple[float | None, float | None] | float | None = None,
         num_chunks: int | None = None,
         chunk_size: int = 1000,
     ):