added Encode_SymmOp

ejplugins/__init__.py

@@ -33,4 +33,4 @@ def load_all_encoders():
     return plugins.load_plugin_classes([Encode_Pymatgen, Encode_ASE])
 
 
-__version__ = "0.9.3"
+__version__ = "0.9.4"

ejplugins/pymatgen_decode.py

@@ -16,6 +16,8 @@ class Encode_Pymatgen(object):
     ['@class', '@module', 'charge', 'lattice', 'sites']
     >>> isinstance(Encode_Pymatgen().from_json(struct_dict), pym.Structure)
     True
+    >>> Encode_Pymatgen().to_str(struct)
+    'Structure(Fe2, Comp=Fe, SpGrp=229)'
 
     """
     plugin_name = 'pymatgen.Structure'
@@ -48,3 +50,48 @@ def to_str(self, obj):
         return "{0}({1}, Comp={2}, SpGrp={3})".format(name,
             obj.formula.replace(" ", ""), obj.composition.reduced_formula, obj.get_space_group_info()[1])
 
+
+class Encode_SymmOp(object):
+    """
+
+    Examples
+    --------
+    >>> symop = pym.SymmOp.from_rotation_and_translation()
+    >>> symop_dict = Encode_SymmOp().to_json(symop)
+    >>> print(sorted([str(s) for s in symop_dict.keys()]))
+    ['@class', '@module', 'matrix', 'tolerance']
+    >>> isinstance(Encode_SymmOp().from_json(symop_dict), pym.SymmOp)
+    True
+    >>> Encode_SymmOp().to_str(symop)
+    'SymOp(R=[[1. 0. 0.],[0. 1. 0.],[0. 0. 1.]], T=[0. 0. 0.])'
+
+    """
+    plugin_name = 'pymatgen.SymmOp'
+    plugin_descript = 'encode/decode pymatgen.SymmOp'
+    objclass = pym.Structure
+    dict_signature = ['@class', '@module', 'matrix']
+    allow_other_keys = True
+
+    def to_json(self, obj):
+        return obj.as_dict()
+
+    def from_json(self, obj):
+
+        modname = obj["@module"]
+        classname = obj["@class"]
+        mod = __import__(modname, globals(), locals(), [classname], 0)
+        if hasattr(mod, classname):
+            cls_ = getattr(mod, classname)
+            data = {k: v for k, v in obj.items()
+                    if k not in ["@module", "@class"]}
+            if hasattr(cls_, "from_dict"):
+                return cls_.from_dict(data)
+            else:
+                raise ValueError("the class {0}.{1} does not have a from_dict method".format(modname, classname))
+        else:
+            raise ValueError("the module {0} does not have the required class {1}".format(modname, classname))
+
+    def to_str(self, obj):
+        return "SymOp({})".format(
+            str(obj).replace("\n", " ").replace("Rot: ", "R=").replace(" tau ", ", T=").replace("]  [", "],["))
+