From 34ee83a8a12ec97e9e82dd7d38488ee3f2713f32 Mon Sep 17 00:00:00 2001
From: Marat Valiev <marat.valiev@pnnl.gov>
Date: Wed, 8 Feb 2012 02:41:03 +0000
Subject: [PATCH] initial checking for ontology

---
 contrib/marat/nwchem-python/atom_ontology.py | 60 ++++++++++++++++++++
 1 file changed, 60 insertions(+)
 create mode 100644 contrib/marat/nwchem-python/atom_ontology.py

diff --git a/contrib/marat/nwchem-python/atom_ontology.py b/contrib/marat/nwchem-python/atom_ontology.py
new file mode 100644
index 0000000000..69d9824c44
--- /dev/null
+++ b/contrib/marat/nwchem-python/atom_ontology.py
@@ -0,0 +1,60 @@
+'''
+Created on Feb 7, 2012
+
+@author: marat
+'''
+
+class AtomOntology:
+    '''
+    classdocs
+    '''
+
+
+    def __init__(self):
+        '''
+        Constructor
+        '''
+        pass
+    
+    @staticmethod    
+    def atomName(mydict):
+        if mydict.has_key("name"):
+            name = mydict["name"]
+        else:
+            name = None     
+        return name
+    
+    @staticmethod  
+    def resName(mydict):
+        if mydict.has_key("resname"):
+            name = mydict["resname"]
+        else:
+            name = None     
+        return name
+            
+    @staticmethod  
+    def resId(mydict):
+        if mydict.has_key("resid"):
+            i = mydict["resid"]
+        else:
+            i = None     
+        return i
+
+    @staticmethod  
+    def atomId(mydict):
+        if mydict.has_key("atomid"):
+            i = mydict["atomid"]
+        else:
+            i = None     
+        return i
+    
+    @staticmethod 
+    def atomCoords(mydict):
+        if mydict.has_key("coords"):
+            coords = mydict["coords"]
+        else:
+            coords = None     
+        return coords    
+    
+    
+        
\ No newline at end of file