Added docstrings in some QM classes

Attributes were not included in some of the base qm
classes. They are now.

Author: pierrelb

rmgpy/qm/main.py

@@ -81,8 +81,8 @@ class QMCalculator():
     =================== ======================= ====================================
     Attribute           Type                    Description
     =================== ======================= ====================================
-    `settings`          ``QMSettings``          Settings for QM calculations
-    `database`          ``ThermoLibrary``       Database containing QM calculations
+    `settings`          :class:`QMSettings`     Settings for QM calculations
+    `database`          :class:`ThermoLibrary`  Database containing QM calculations
     =================== ======================= ====================================
 
     """

rmgpy/qm/molecule.py

@@ -23,6 +23,19 @@ class Geometry:
     A geometry, used for quantum calculations.
     
     Created from a molecule. Geometry estimated by RDKit.
+    
+    The attributes are:
+    
+    =================== ======================= ====================================
+    Attribute           Type                    Description
+    =================== ======================= ====================================
+    `settings`          :class:`QMSettings`     Settings for QM calculations
+    `uniqueID`          ``str``                 A short ID such as an augmented InChI Key
+    `molecule`          :class:`Molecule`       RMG Molecule object
+    `multiplicity`      ``int``                 The multiplicity of the molecule
+    `uniqueIDlong`      ``str``                 A long, truly unique ID such as an augmented InChI
+    =================== ======================= ====================================
+    
     """
     def __init__(self, settings, uniqueID, molecule, multiplicity, uniqueIDlong=None):
         self.settings = settings
@@ -169,6 +182,18 @@ class QMMolecule:
      * outputFileExtension
      * inputFileExtension
      * generateQMData() ...and whatever else is needed to make this method work.
+     
+    The attributes are:
+    
+    =================== ======================= ====================================
+    Attribute           Type                    Description
+    =================== ======================= ====================================
+    `molecule`          :class:`Molecule`       RMG Molecule object
+    `settings`          :class:`QMSettings`     Settings for QM calculations
+    `uniqueID`          ``str``                 A short ID such as an augmented InChI Key
+    `uniqueIDlong`      ``str``                 A long, truly unique ID such as an augmented InChI
+    =================== ======================= ====================================
+    
     """
 
     def __init__(self, molecule, settings):