Update methods requiring scm.libbase SCMSUITE-8674 SO--

interfaces/adfsuite/ams.py

@@ -5,7 +5,7 @@
 import numpy as np
 from scm.plams.core.basejob import SingleJob
 from scm.plams.core.errors import FileError, JobError, PlamsError, PTError, ResultsError
-from scm.plams.core.functions import config, log, parse_heredoc
+from scm.plams.core.functions import config, log, parse_heredoc, requires_optional_package
 from scm.plams.core.private import sha256
 from scm.plams.core.results import Results
 from scm.plams.core.settings import Settings
@@ -209,6 +209,7 @@ def get_molecule(self, section: str, file: str = "ams") -> Molecule:
         if sectiondict:
             return Molecule._mol_from_rkf_section(sectiondict)
 
+    @requires_optional_package("scm.libbase")
     def get_system(self, section: str, file: str = "ams") -> "ChemicalSystem":
         """Return a ``ChemicalSystem`` instance stored in a given *section* of a chosen ``.rkf`` file.
 
@@ -218,8 +219,6 @@ def get_system(self, section: str, file: str = "ams") -> "ChemicalSystem":
 
         Note that ``ChemicalSystem`` is only available within AMS python. If unavailable, the call will raise an error.
         """
-        if not _has_scm_chemsys:
-            raise PlamsError("'ChemicalSystem' not available outside of AMS python.")
         return ChemicalSystem.from_kf(self.rkfpath(file), section)
 
     def get_ase_atoms(self, section: str, file: str = "ams") -> "AseAtoms":

unit_tests/test_amsresults.py

@@ -5,7 +5,7 @@
 
 from scm.plams.interfaces.adfsuite.ams import AMSJob, AMSResults
 from scm.plams.tools.kftools import KFFile
-from scm.plams.core.errors import FileError, PlamsError
+from scm.plams.core.errors import FileError, MissingOptionalPackageError
 from scm.plams.mol.molecule import Molecule
 from scm.plams.unit_tests.test_helpers import skip_if_no_ams_installation
 
@@ -245,7 +245,7 @@ def test_get_system_returns_requested_section_chemical_system_with_libbase_other
             self.assert_water_molecule(molecule, expected_coords, ChemicalSystem)
         except ImportError:
             # Otherwise errors
-            with pytest.raises(PlamsError):
+            with pytest.raises(MissingOptionalPackageError):
                 water_opt_results.get_system(section, file)
 
     @pytest.mark.parametrize(
@@ -286,7 +286,7 @@ def test_get_input_system_as_expected_with_libbase_otherwise_errors(self, water_
             self.assert_water_molecule(molecule, "input", ChemicalSystem)
         except ImportError:
             # Otherwise errors
-            with pytest.raises(PlamsError):
+            with pytest.raises(MissingOptionalPackageError):
                 water_opt_results.get_input_system()
 
     def test_get_input_molecules_has_initial_molecule_under_empty_key(self, water_opt_results):
@@ -321,7 +321,7 @@ def test_get_main_system_as_expected(self, water_opt_results):
             self.assert_water_molecule(molecule, "main", ChemicalSystem)
         except ImportError:
             # Otherwise errors
-            with pytest.raises(PlamsError):
+            with pytest.raises(MissingOptionalPackageError):
                 water_opt_results.get_main_system()
 
     @pytest.mark.parametrize("get_results", [False, True])