Final 0.2 changes

README.rst

@@ -133,6 +133,20 @@ distance to that:
   >>> atom.distance_to(model.center_of_mass())
   1.3371237139950765
 
+Atoms can be bonded to one another using the ``Atom.bond`` method:
+
+  >>> other_atom = model.atom(element="O")
+  >>> atom.bond(other_atom)
+  >>> atom.bonds()
+  {"<C-O Bond>"}
+  >>> atom.bonded_atoms()
+  {<O Atom at (37.441, 29.265, 52.113)>}
+  >>> atom.unbond(other_atom)
+  >>> atom.bonds()
+  {}
+  >>> atom.bonded_atoms()
+  {}
+
 
 Saving
 ~~~~~~
@@ -150,6 +164,16 @@ The ``Xyz`` object itself can also be saved:
 Changelog
 ---------
 
+Release 0.2.0
+~~~~~~~~~~~~~
+
+`14 June 2017`
+
+* Made all Atomic Structures savable.
+* Added Atom IDs and uniqueness constraints.
+* Added Atom Bonds.
+
+
 Release 0.1.1
 ~~~~~~~~~~~~~
 

atomium/structures/atoms.py

@@ -138,7 +138,7 @@ def atom_id(self, atom_id=None):
         will be updated, provided it is a unique integer.
 
         :param int atom_id: If given, the ID will be set to this.
-        :param TypeError: if the ID given is not numeric.
+        :raises TypeError: if the ID given is not numeric.
         :raises ValueError: if the ID given is already in use."""
 
         if atom_id is None:

docs/source/api.rst

@@ -23,4 +23,4 @@ Converters
 .. toctree ::
     api/strings
     api/string2xyz
-    api/model2xyzstring
+    api/structure2xyzstring

docs/source/api/structure2xyzstring.rst

@@ -0,0 +1,6 @@
+``atomium.converters.structure2xyzstring`` (Structure to .xyz conversion)
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+.. automodule:: atomium.converters.structure2xyzstring
+    :members:
+    :inherited-members:

docs/source/changelog.rst

@@ -1,6 +1,16 @@
 Changelog
 ---------
 
+Release 0.2.0
+~~~~~~~~~~~~~
+
+`14 June 2017`
+
+* Made all Atomic Structures savable.
+* Added Atom IDs and uniqueness constraints.
+* Added Atom Bonds.
+
+
 Release 0.1.1
 ~~~~~~~~~~~~~