missed one

MolSSI · Apr 27, 2024 · 11a65c5 · 11a65c5
1 parent 7f6e12a
commit 11a65c5
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Showing 3 changed files with 6 additions and 3 deletions.
diff --git a/qcmanybody/qcng_computer.py b/qcmanybody/qcng_computer.py
@@ -11,7 +11,7 @@
 
 from ast import literal_eval
 # v2: from typing import TYPE_CHECKING, Any, ClassVar, Dict, List, Tuple, Union, Literal, Optional
-from typing import Any, Dict, List, Mapping, Tuple, Union, Literal, Optional
+from typing import Any, Dict, List, Mapping, Tuple, Union, Literal, Optional, TYPE_CHECKING
 
 # v2: from pydantic import ConfigDict, field_validator, FieldValidationInfo, computed_field, BaseModel, Field
 try:
@@ -25,6 +25,9 @@
 from qcmanybody.utils import delabeler, provenance_stamp
 from qcmanybody.models import BsseEnum, ManyBodyKeywords, ManyBodyInput, ManyBodyResult, ManyBodyResultProperties
 
+if TYPE_CHECKING:
+    import qcportal
+
 
 class BaseComputerQCNG(ProtoModel):
     """Base class for "computers" that plan, run, and process QC tasks."""

diff --git a/qcmanybody/tests/test_mbe_he4_multilevel.py b/qcmanybody/tests/test_mbe_he4_multilevel.py
@@ -819,7 +819,7 @@ def test_nbody_he4_supersys(levels, mbe_keywords, anskey, bodykeys, outstrs, cal
     mbe_model = ManyBodyInput(**mbe_data_multilevel_631g)
 
     # qcng: ret = qcng.compute_procedure(mbe_model, "manybody", raise_error=True)
-    ret = ManyBodyComputerQCNG.from_qcschema_ben(mbe_model)
+    ret = ManyBodyComputerQCNG.from_manybodyinput(mbe_model)
     print(f"MMMMMMM {request.node.name}")
     pprint.pprint(ret.dict(), width=200)
 

diff --git a/qcmanybody/tests/test_mbe_het4_grad.py b/qcmanybody/tests/test_mbe_het4_grad.py
@@ -258,7 +258,7 @@ def test_nbody_het4_grad(mbe_keywords, anskeyE, anskeyG, bodykeys, outstrs, calc
     mbe_model = ManyBodyInput(**mbe_data_grad_dtz)
 
     # qcng: ret = qcng.compute_procedure(mbe_model, "manybody", raise_error=True)
-    ret = ManyBodyComputerQCNG.from_qcschema_ben(mbe_model)
+    ret = ManyBodyComputerQCNG.from_manybodyinput(mbe_model)
     print(f"MMMMMMM {request.node.name}")
     pprint.pprint(ret.dict(), width=200)