gemd 2.1.9__tar.gz → 2.2.0__tar.gz

{gemd-2.1.9 → gemd-2.2.0}/PKG-INFO

@@ -1,23 +1,18 @@
 Metadata-Version: 2.1
 Name: gemd
-Version: 2.1.9
+Version: 2.2.0
 Summary: Python binding for Citrine's GEMD data model
 Home-page: http://github.com/CitrineInformatics/gemd-python
 Author: Citrine Informatics
-License: UNKNOWN
-Platform: UNKNOWN
 Classifier: Programming Language :: Python :: 3
-Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
-Requires-Python: >=3.8
+Classifier: Programming Language :: Python :: 3.13
+Requires-Python: >=3.9
 Provides-Extra: scripts
 Provides-Extra: tests
 Provides-Extra: tests.demo
 Provides-Extra: tests.entity.bounds
 License-File: LICENSE
-
-UNKNOWN
-

gemd-2.2.0/gemd/__version__.py

@@ -0,0 +1 @@
+__version__ = "2.2.0"

{gemd-2.1.9 → gemd-2.2.0}/gemd/entity/base_entity.py

@@ -207,11 +207,15 @@ class BaseEntity(DictSerializable):
     # Note that this could violate transitivity -- Link(scope1) == obj == Link(scope2)
     def __eq__(self, other):
         from gemd.entity.link_by_uid import LinkByUID
-        if isinstance(other, LinkByUID):
+        from gemd.util import cached_isinstance
+
+        if id(self) == id(other):
+            return True
+        elif cached_isinstance(other, LinkByUID):
             return self.uids.get(other.scope) == other.id
-        elif isinstance(other, tuple):
+        elif cached_isinstance(other, tuple):
             return len(other) == 2 and other[0] in self.uids and self.uids[other[0]] == other[1]
-        elif isinstance(other, BaseEntity):
+        elif cached_isinstance(other, BaseEntity):
             # We have to be a little clever for efficiency and to avoid infinite recursion
             return BaseEntity._cached_equals(self, other)
         else:

{gemd-2.1.9 → gemd-2.2.0}/gemd/entity/link_by_uid.py

@@ -67,12 +67,16 @@ class LinkByUID(DictSerializable, typ="link_by_uid"):
     # Note that this could violate transitivity
     def __eq__(self, other):
         from gemd.entity.base_entity import BaseEntity
-        if isinstance(other, BaseEntity):
+        from gemd.util import cached_isinstance
+
+        if cached_isinstance(other, LinkByUID):
+            return self.scope == other.scope and self.id == other.id
+        elif cached_isinstance(other, BaseEntity):
             if self.scope in other.uids:
                 return other.uids[self.scope] == self.id
             else:
                 return False
-        elif isinstance(other, tuple):  # Make them interchangeable in a dict
+        elif cached_isinstance(other, tuple):  # Make them interchangeable in a dict
             return len(other) == 2 and (self.scope, self.id) == other
         else:
             return super().__eq__(other)

{gemd-2.1.9 → gemd-2.2.0}/gemd/entity/value/empirical_formula.py

@@ -1,19 +1,25 @@
 """An empirical chemical formula."""
+import re
+
 from gemd.entity.value.composition_value import CompositionValue
 from gemd.entity.bounds import CompositionBounds
 
 __all__ = ["EmpiricalFormula"]
 
 
-_all_elements = {
-    'Tb', 'Be', 'Sb', 'Re', 'Sr', 'Ac', 'Ho', 'Ir', 'Cr', 'Os', 'S', 'Pt', 'Si', 'C', 'V', 'Bi',
-    'U', 'Pr', 'B', 'O', 'Zn', 'Xe', 'N', 'Ni', 'No', 'Ti', 'Pa', 'Am', 'Cu', 'I', 'Al', 'Ba',
-    'Pu', 'Ca', 'Bk', 'Ge', 'In', 'H', 'Es', 'Se', 'Cs', 'Te', 'Rn', 'Hf', 'Cm', 'Kr', 'Y',
-    'Cf', 'Li', 'F', 'Hg', 'Sm', 'Nd', 'Br', 'Er', 'K', 'Zr', 'Pd', 'Au', 'Eu', 'Md', 'Ga', 'As',
-    'Mn', 'Ag', 'Nb', 'Gd', 'Ru', 'Po', 'W', 'Na', 'Cl', 'Mo', 'Rh', 'Pm', 'Rb', 'Np', 'Lr',
-    'Ce', 'Ra', 'Tm', 'Dy', 'Fr', 'Sc', 'Lu', 'Fe', 'Fm', 'Cd', 'Ar', 'Mg', 'P', 'Th', 'Co',
-    'Tc', 'Pb', 'Ta', 'Tl', 'At', 'He', 'Yb', 'La', 'Sn', 'Ne'
-}
+_periodic_table = """
+H   D   T                                                           He
+Li  Be                                          B   C   N   O   F   Ne
+Na  Mg                                          Al  Si  P   S   Cl  Ar
+K   Ca  Sc  Ti  V   Cr  Mn  Fe  Co  Ni  Cu  Zn  Ga  Ge  As  Se  Br  Kr
+Rb  Sr  Y   Zr  Nb  Mo  Tc  Ru  Rh  Pd  Ag  Cd  In  Sn  Sb  Te  I   Xe
+Cs  Ba      Hf  Ta  W   Re  Os  Ir  Pt  Au  Hg  Tl  Pb  Bi  Po  At  Rn
+Fr  Ra      Rf  Db  Sg  Bh  Hs  Mt  Ds  Rg  Cn  Nh  Fl  Mc  Lv  Ts  Og
+
+La  Ce  Pr  Nd  Pm  Sm  Eu  Gd  Tb  Dy  Ho  Er  Tm  Yb  Lu
+Ac  Th  Pa  U   Np  Pu  Am  Cm  Bk  Cf  Es  Fm  Md  No  Lr
+"""
+_all_elements = re.split(r"\s+", _periodic_table.strip())
 
 
 class EmpiricalFormula(CompositionValue, typ="empirical_formula"):

{gemd-2.1.9 → gemd-2.2.0}/gemd/units/impl.py

@@ -307,7 +307,7 @@ def _format_clean(unit, registry, **options):
     """
     try:  # Informal route changed in 0.22
         from pint.formatting import _FORMATTERS
-        formatter = _FORMATTERS["D"]
+        formatter = _FORMATTERS["D"]  # pragma: no cover
     except ImportError:  # pragma: no cover
         from pint import Unit
         formatter_obj = registry.formatter._formatters["D"]
@@ -317,7 +317,6 @@ def _format_clean(unit, registry, **options):
                 parsed = Unit(unit)
                 return formatter_obj.format_unit(parsed)
             except ValueError:
-                parsed = Unit(unit)
                 return formatter_obj.format_quantity(unit)
 
         formatter = _surrogate_formatter

{gemd-2.1.9 → gemd-2.2.0}/gemd.egg-info/PKG-INFO

@@ -1,23 +1,18 @@
 Metadata-Version: 2.1
 Name: gemd
-Version: 2.1.9
+Version: 2.2.0
 Summary: Python binding for Citrine's GEMD data model
 Home-page: http://github.com/CitrineInformatics/gemd-python
 Author: Citrine Informatics
-License: UNKNOWN
-Platform: UNKNOWN
 Classifier: Programming Language :: Python :: 3
-Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
-Requires-Python: >=3.8
+Classifier: Programming Language :: Python :: 3.13
+Requires-Python: >=3.9
 Provides-Extra: scripts
 Provides-Extra: tests
 Provides-Extra: tests.demo
 Provides-Extra: tests.entity.bounds
 License-File: LICENSE
-
-UNKNOWN
-

{gemd-2.1.9 → gemd-2.2.0}/gemd.egg-info/requires.txt

@@ -1,11 +1,12 @@
 deprecation<3,>=2.1.0
 importlib-resources<7,>=5.3
-pint!=0.22,!=0.23,<0.25,>=0.21
+pint<0.25,>=0.24.4
 typing_extensions<5,>=4.8
 
 [scripts]
-packagingsphinx==5.0.0
+packaging
 sphinx-rtd-theme==1.0.0
+sphinx==5.0.0
 sphinxcontrib-apidoc==0.3.0
 
 [tests]
@@ -15,5 +16,7 @@ pytest<9,>=8.0.0
 pandas<3,>=2.0.3
 
 [tests.entity.bounds]
-numpy<3,>=1.24.4
 pandas<3,>=2.0.3
+
+[tests.entity.bounds:python_version <= "3.10"]
+numpy<2,>=1.24.4

{gemd-2.1.9 → gemd-2.2.0}/setup.py

@@ -15,7 +15,7 @@ else:
 setup(name='gemd',
       # Update this in gemd/__version__.py
       version=version,
-      python_requires='>=3.8',
+      python_requires='>=3.9',
       url='http://github.com/CitrineInformatics/gemd-python',
       description="Python binding for Citrine's GEMD data model",
       author='Citrine Informatics',
@@ -33,14 +33,14 @@ setup(name='gemd',
           'tests.units': ['test_units.txt']
       },
       install_requires=[
-          "pint>=0.21,<0.25,!=0.22,!=0.23",  # pint 0.22,0.23 have a bad interaction w/ numpy >= 2
+          "pint>=0.24.4,<0.25",
           "deprecation>=2.1.0,<3",
           "typing_extensions>=4.8,<5",
           "importlib-resources>=5.3,<7"
       ],
       extras_require={
           "scripts": [
-              "packaging"
+              "packaging",
               "sphinx==5.0.0",
               "sphinx-rtd-theme==1.0.0",
               "sphinxcontrib-apidoc==0.3.0",
@@ -52,16 +52,16 @@ setup(name='gemd',
               "pandas>=2.0.3,<3"
           ],
           "tests.entity.bounds": [
-              "numpy>=1.24.4,<3",
+              "numpy>=1.24.4,<2; python_version<='3.10'",
               "pandas>=2.0.3,<3"
           ]
       },
       classifiers=[
           'Programming Language :: Python :: 3',
-          'Programming Language :: Python :: 3.8',
           'Programming Language :: Python :: 3.9',
           'Programming Language :: Python :: 3.10',
           'Programming Language :: Python :: 3.11',
           'Programming Language :: Python :: 3.12',
+          'Programming Language :: Python :: 3.13',
       ],
       )

gemd-2.1.9/gemd/__version__.py

@@ -1 +0,0 @@
-__version__ = "2.1.9"