Merge pull request #122 from pyscal/add_more_operations

Add more operations
pyscal · Jun 3, 2024 · 49a55e4 · 49a55e4
2 parents 1d25e6d + e495576
commit 49a55e4
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diff --git a/.bumpversion.cfg b/.bumpversion.cfg
@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 0.8.9
+current_version = 0.8.10
 commit = True
 tag = False
 

diff --git a/CITATION.cff b/CITATION.cff
@@ -20,4 +20,4 @@ url: 'https://atomrdf.pyscal.org'
 license: "MIT"
 repository-code: https://github.com/pyscal/atomRDF
 type: software
-version: 0.8.9
+version: 0.8.10
diff --git a/atomrdf/network/ontology.py b/atomrdf/network/ontology.py
@@ -8,8 +8,16 @@
 - Add math operations, see sample.py for the complete list of items - at the moment, 4 cardinal operations,
 but maybe more will be needed.
 
-- StructureOperation: StructureRotation and associated vectors, see structure.py
+- StructureOperation: 
+    - RotationOperation and associated vectors, see structure.py
+    - TranslationOperation - no triples yet, see structure.py
+
+- PROV activities
+    - DeleteAtom - to create vacancy - Now Just added as label to PROV activities
+    - AddAtom - to create impurity
+    - SubstituteAtom - to create impurity
 """
+
 import os
 from atomrdf.network.network import OntologyNetwork
 

diff --git a/atomrdf/structure.py b/atomrdf/structure.py
diff --git a/examples/03_point_defects.ipynb b/examples/03_point_defects.ipynb
diff --git a/examples/04_substitution.ipynb b/examples/04_substitution.ipynb
diff --git a/examples/05_interstitials.ipynb b/examples/05_interstitials.ipynb
diff --git a/setup.py b/setup.py
@@ -6,7 +6,7 @@
 
 setup(
     name='atomrdf',
-    version='0.8.9',
+    version='0.8.10',
     author='Abril Azocar Guzman, Sarath Menon',
     author_email='[email protected]',
     description='Ontology based structural manipulation and quering',