[fix]: Improving docstrings in the data module

minushalf/data/calculation_code.py

@@ -1,6 +1,5 @@
 """
-List calculation code code
-for INP file
+List calculation code options for the INP file
 """
 from enum import Enum, unique
 

minushalf/data/correction_code.py

@@ -1,5 +1,5 @@
 """
-Enum type for correction code used
+Enum type for correction codes used
 in minushalf.yaml
 """
 from enum import Enum, unique
@@ -8,7 +8,7 @@
 @unique
 class CorrectionCode(Enum):
     """
-    Enum type for the softwares suport by the program
+    Enum type for the correction codes
     """
 
     v = "v"  # Simple valence correction
@@ -24,6 +24,6 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Generate list of available softwares
+        Generate list of available correction codes
         """
         return list(map(lambda element: element.value, CorrectionCode))

minushalf/data/cut_initial_guess_methods.py

@@ -1,5 +1,5 @@
 """
-List the available methods to derive cut initial guess from the
+List the available methods to obtain cut initial guess from the
 nearest neighbor distance.
 """
 from enum import Enum, unique
@@ -8,17 +8,17 @@
 @unique
 class CutInitialGuessMethods(Enum):
     """
-    Enum type for the methods of derive initial guess.
+    Enum for different methods of obtaining the initial cut guess.
     """
 
-    three_dimensions = "3d"  # All electrons
+    three_dimensions = "3d"  # three dimensional crystals
 
     def __str__(self):
         return str(self.name)
 
     @staticmethod
     def to_list():
         """
-        Generate list of available calculation codes
+        Generate list of available methods
         """
         return list(map(lambda element: element.value, CutInitialGuessMethods))

minushalf/data/electronic_distribution.py

@@ -8,8 +8,7 @@
 @unique
 class ElectronicDistribution(Enum):
     """
-    Enum type for orbital type. Indices are basically the azimuthal quantum
-    number, l.
+    Enum type for the electronic distributions of atoms
     """
 
     H = [

minushalf/data/exchange_correlation.py

@@ -1,14 +1,13 @@
 """
-List exchange correlations code
-for INP file
+List exchange and correlation codes for the INP file
 """
 from enum import Enum, unique
 
 
 @unique
 class ExchangeCorreltion(Enum):
     """
-    Enum type for the exchange correlations code
+    Enum type for exchange and correlation codes
     """
 
     ca = "ca"  # Ceperley-Alder
@@ -27,6 +26,6 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Generate list of exchange correlation types
+        Generate list of exchange and correlation codes
         """
         return list(map(lambda element: element.value, ExchangeCorreltion))

minushalf/data/minushalf_yaml_default_configuration.py

@@ -1,7 +1,5 @@
 """
-It helds the parameters and the
-default values to be used in the
-minushalf.yaml file
+Lists minushalf.yml parameters and their default values
 """
 from enum import Enum, unique
 import aenum
@@ -10,8 +8,7 @@
 @unique
 class MinushalfParams(Enum):
     """
-    Parameters that can be
-    passed in minushalf.yaml
+    minushalf.yaml parameters.
     """
 
     software = "software"
@@ -24,15 +21,14 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Return a list with params name
-        that can be passed in minushalf.yaml
+        Returns a list with the name of the parameters present in minushalf.yaml.
         """
         return list(map(lambda element: element.value, MinushalfParams))
 
     @staticmethod
     def to_dict():
         """
-        Returns a dictionary with the  parameters
+        Returns a dictionary with the name of the parameters present in minushalf.yaml.
         """
         values = map(lambda element: element.value, MinushalfParams)
         keys = map(lambda element: element.__str__(), MinushalfParams)
@@ -41,7 +37,7 @@ def to_dict():
 
 class CorrectionDefaultParams(aenum.Enum, settings=aenum.NoAlias):
     """
-    Default params for correction field
+    Default value of parameters in the correction tag.
     """
 
     correction_code = "v"
@@ -61,15 +57,15 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Return a list with default parameters
+        Returns a list of default parameters.
         """
         return list(map(lambda element: element.value,
                         CorrectionDefaultParams))
 
     @staticmethod
     def to_dict():
         """
-        Returns a dictionary with the default parameters
+        Returns a dictionary of default parameters.
         """
         values = map(lambda element: element.value, CorrectionDefaultParams)
         keys = map(lambda element: element.__str__(), CorrectionDefaultParams)
@@ -79,7 +75,7 @@ def to_dict():
 @unique
 class VaspDefaultParams(Enum):
     """
-    Default params for vasp
+    Default value of parameters in the vasp tag.
     """
 
     number_of_cores = 1
@@ -91,14 +87,14 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Return a list with default parameters
+        Returns a list of default parameters.
         """
         return list(map(lambda element: element.value, VaspDefaultParams))
 
     @staticmethod
     def to_dict():
         """
-        Returns a dictionary with the default parameters
+        Returns a dictionary of default parameters.
         """
         values = map(lambda element: element.value, VaspDefaultParams)
         keys = map(lambda element: element.__str__(), VaspDefaultParams)
@@ -108,7 +104,7 @@ def to_dict():
 @unique
 class AtomicProgramDefaultParams(Enum):
     """
-    Default params for atomic_program
+    Default value of parameters in the atomic_program tag.
     """
 
     exchange_correlation_code = "pb"
@@ -121,15 +117,15 @@ def __str__(self):
     @staticmethod
     def to_list():
         """
-        Return a list with default parameters
+        Returns a list of default parameters.
         """
         return list(
             map(lambda element: element.value, AtomicProgramDefaultParams))
 
     @staticmethod
     def to_dict():
         """
-        Returns a dictionary with the default parameters
+        Returns a dictionary of default parameters.
         """
         values = map(lambda element: element.value, AtomicProgramDefaultParams)
         keys = map(lambda element: element.__str__(),

minushalf/data/orbital.py

@@ -24,7 +24,7 @@ def __str__(self):
 @unique
 class Orbital(Enum):
     """
-    Enum type for specific orbitals. The indices are basically the order in
+    Enum type for orbitals. The indices are basically the order in
     which the orbitals are reported in VASP and has no special meaning.
     """
 

minushalf/data/periodic_table.py

@@ -1,13 +1,13 @@
 """
-Enum class for all the elements
-of periodic table
+Enum class for all elements
+of the periodic table
 """
 from enum import Enum, unique
 
 
 @unique
 class PeriodicTable(Enum):
-    """Enum representing an element in the periodic table."""
+    """Enum type for the elements of the periodic table."""
     H = "H"
     He = "He"
     Li = "Li"

minushalf/data/softwares.py

@@ -1,5 +1,5 @@
 """
-List softwares suported
+List softwares supported
 by the CLI
 """
 from enum import Enum, unique
@@ -8,7 +8,7 @@
 @unique
 class Softwares(Enum):
     """
-    Enum type for the softwares suport by the program
+    Enum type for the softwares supported by the program
     """
 
     vasp = "VASP"