From 9710ff4e30a0d3129c74bf5479d1b51cbd318e5d Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Fri, 4 Feb 2022 13:58:03 +0100
Subject: [PATCH]  implement __eq__, __str__, __repr__ and __hash__ for Python
 data classes when it's possible

---
 tools/lib/data.py | 49 ++++++++++++++++++++++++++++++++++++++++++++++-
 1 file changed, 48 insertions(+), 1 deletion(-)

diff --git a/tools/lib/data.py b/tools/lib/data.py
index 121f9d81..595a921f 100644
--- a/tools/lib/data.py
+++ b/tools/lib/data.py
@@ -15,6 +15,19 @@ class state:
     self.number = number
     self.multiplicity = multiplicity
     self.symmetry = symmetry
+  
+  def __eq__(self, __o: object) -> bool:
+      return type(__o) is state and __o.number == self.number and __o.multiplicity == self.multiplicity and __o.symmetry == self.symmetry
+
+  def __str__(self) -> str:
+      return f'{self.number} ^{self.multiplicity}{self.symmetry}'
+
+  def __repr__(self) -> str:
+    return f'{self.__class__.__name__}: {self.__str__()}'
+
+  def __hash__(self) -> int:
+      return hash((self.number, self.multiplicity, self.symmetry))
+
   @staticmethod
   def fromString(string):
     m=re.match(r"^(?P<number>\d)\s*\^(?P<multiplicity>\d)(?P<sym>\S*)",string)
@@ -52,9 +65,18 @@ class exSet(object):
     self.name=name
     self.index=index
   
-  def __str__(self):
+  def __eq__(self, __o: object) -> bool:
+    return type(__o) is exSet and __o.name == self.name and __o.index == self.index
+
+  def __str__(self) -> str:
     return f"{self.name},{self.index}"
 
+  def __repr__(self) -> str:
+    return f'{self.__class__.__name__}: {self.__str__()}'
+
+  def __hash__(self) -> int:
+      return hash((self.name, self.index))
+      
   @staticmethod
   def fromString(string):
     vals = string.split(",")
@@ -143,6 +165,7 @@ class dataFileBase(object):
     else:
       raise ValueError()
     return handler.readFromTable(table)
+    
   def getMetadata(self):
     dic=OrderedDict()
     dic["Molecule"]=self.molecule
@@ -248,6 +271,18 @@ class method:
     self.name = name
     self.basis=args[0] if len(args)>0 else None
 
+  def __eq__(self, __o: object) -> bool:
+    return type(__o) is method and __o.name == self.name and __o.basis == self.basis
+
+  def __str__(self) -> str:
+      return self.name + f'/{self.basis}' if self.basis!=None else ''
+
+  def __repr__(self) -> str:
+    return f'{self.__class__.__name__}: {self.__str__()}'
+
+  def __hash__(self) -> int:
+      return hash((self.name, self.basis))
+
   @staticmethod
   def fromString(string):
     vals = string.split(",")
@@ -271,6 +306,18 @@ class code:
     self.name = name
     self.version = version
   
+  def __eq__(self, __o: object) -> bool:
+    return type(__o) is method and __o.name == self.name and __o.version == self.version
+
+  def __str__(self) -> str:
+      return self.name + f'/{self.version}' if self.version!=None else ''
+
+  def __repr__(self) -> str:
+    return f'{self.__class__.__name__}: {self.__str__()}'
+
+  def __hash__(self) -> int:
+      return hash((self.name, self.basis))
+
   @staticmethod
   def fromString(string):
     vals = string.split(",")