Implement high level import (#65)

* Implement high level import

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

Author: jan-janssen

README.md

@@ -12,7 +12,7 @@ in those files, without depending on `pyiron_atomistics`. Furthermore, it is not
 Using the `get_dataclass()` function of the built-in converter:
 ```python
 from h5io_browser import read_dict_from_hdf
-from pyiron_dataclasses.v1.converter import get_dataclass
+from pyiron_dataclasses import get_dataclass_v1
 
 job_classes = get_dataclass(
     job_dict=read_dict_from_hdf(

pyiron_dataclasses/__init__.py

@@ -1,3 +1,5 @@
 import pyiron_dataclasses._version
+from pyiron_dataclasses.v1.converter import get_dataclass as get_dataclass_v1
 
 __version__ = pyiron_dataclasses._version.__version__
+__all__ = ["get_dataclass_v1"]

tests/test_pyiron_atomistics_live.py

@@ -3,7 +3,7 @@
 from h5io_browser import read_dict_from_hdf
 from pint import UnitRegistry
 
-from pyiron_dataclasses.v1.converter import get_dataclass
+from pyiron_dataclasses import get_dataclass_v1
 
 try:
     from pyiron_atomistics import Project
@@ -44,7 +44,7 @@ def test_sphinx_calc_minimize(self):
             recursive=True,
             slash="ignore",
         )
-        job_sphinx = get_dataclass(job_dict[job.job_name])
+        job_sphinx = get_dataclass_v1(job_dict[job.job_name])
         self.assertEqual(
             job_sphinx.calculation_output.generic.energy_tot[-1],
             -228.78315943858593 * ureg.eV,
@@ -61,7 +61,7 @@ def test_sphinx_calc_static(self):
             recursive=True,
             slash="ignore",
         )
-        job_sphinx = get_dataclass(job_dict[job.job_name])
+        job_sphinx = get_dataclass_v1(job_dict[job.job_name])
         self.assertEqual(
             job_sphinx.calculation_output.generic.energy_tot[-1],
             -228.78316094884508 * ureg.eV,
@@ -79,7 +79,7 @@ def test_lammps_calc_static(self):
             recursive=True,
             slash="ignore",
         )
-        job_lammps = get_dataclass(job_dict[job.job_name])
+        job_lammps = get_dataclass_v1(job_dict[job.job_name])
         self.assertEqual(
             job_lammps.calculation_output.generic.energy_tot[-1],
             -13.4486826111902 * ureg.eV,
@@ -97,7 +97,7 @@ def test_lammps_calc_md(self):
             recursive=True,
             slash="ignore",
         )
-        job_lammps = get_dataclass(job_dict[job.job_name])
+        job_lammps = get_dataclass_v1(job_dict[job.job_name])
         self.assertEqual(len(job_lammps.calculation_output.generic.energy_tot), 11)
 
     def test_lammps_calc_minimize(self):
@@ -112,7 +112,7 @@ def test_lammps_calc_minimize(self):
             recursive=True,
             slash="ignore",
         )
-        job_lammps = get_dataclass(job_dict[job.job_name])
+        job_lammps = get_dataclass_v1(job_dict[job.job_name])
         self.assertEqual(
             job_lammps.calculation_output.generic.energy_tot[-1],
             -13.4486826111902 * ureg.eV,
@@ -130,7 +130,7 @@ def test_murnaghan_lammps(self):
             recursive=True,
             slash="ignore",
         )
-        job_murn = get_dataclass(job_dict[murn.job_name])
+        job_murn = get_dataclass_v1(job_dict[murn.job_name])
         self.assertEqual(
             job_murn.calculation_output.equilibrium_bulk_modulus,
             81.0404454580153,

tests/test_pyiron_atomistics_static.py

@@ -4,9 +4,7 @@
 from h5io_browser import read_dict_from_hdf
 from pint import UnitRegistry
 
-from pyiron_dataclasses.v1.converter import (
-    get_dataclass,
-)
+from pyiron_dataclasses import get_dataclass_v1
 
 
 class TestPyironAtomisticsStatic(TestCase):
@@ -29,14 +27,14 @@ def test_all(self):
             )[hdf5_file.split(".")[0]]
             if hdf5_file in ["sx.h5", "lmp.h5", "vasp.h5"]:
                 self.assertEqual(
-                    get_dataclass(
+                    get_dataclass_v1(
                         job_dict=job_dict
                     ).calculation_output.generic.energy_tot[-1],
                     energy_dict[hdf5_file],
                 )
             elif hdf5_file == "murn.h5":
                 self.assertEqual(
-                    get_dataclass(
+                    get_dataclass_v1(
                         job_dict=job_dict
                     ).calculation_output.equilibrium_bulk_modulus,
                     81.04044545801592,