Name resolved particles for isotopes

ELoss/E_vs_x_Co-60.dat

@@ -0,0 +1,501 @@
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ELoss/PCEnergyAnalysis.py

@@ -27,6 +27,8 @@ import textwrap
 import readline
 import atexit
 import os
+import periodictable as pt
+import re
 
 #Run program from terminal or IDE, and prompts will provide user steps
 
@@ -42,7 +44,7 @@ atexit.register(readline.write_history_file, histfile)
 #data = [z, mass_u, maximum MeV, name]
 alpha_data = [2, 4.0026, 40, "alpha"]
 proton_data = [1, 1.0078, 20, "proton"]
-deuteron_data = [1, 2.014102, 30, "deuterium"]
+deuteron_data = [1, 2.014102, 30, "deuteron"]
 
 
 particles = {
@@ -256,6 +258,33 @@ def energy_distance(particle, Ei, Ef):
     return abs(xf - xi)
 
 
+def resolve_particle(name):
+    name = name.lower().strip().rstrip("s")
+    if name in particles:
+        return particles[name]
+    match = re.match(r"([a-zA-Z]+)[-\s]?(\d+)", name)
+    if match:
+        element_symbol = match.group(1).capitalize()
+        A = int(match.group(2))
+
+        try:
+            element = pt.elements.symbol(element_symbol)
+            isotope = element[A]   # <-- THIS is the correct way
+
+            return (
+                isotope.number,   # Z
+                isotope.mass,     # mass in u
+                30.0,
+                f"{element_symbol}-{A}"
+            )
+        except Exception:
+            raise ValueError(f"Unknown isotope: {name}")
+    try:
+        elem = pt.elements.symbol(name.capitalize())
+        return elem.number, elem.mass, 30.0, name
+    except Exception:
+        raise ValueError(f"Unknown particle/isotope: {name}")
+    
 
 class MyInteractiveApp(cmd.Cmd):
     def __init__(self):
@@ -369,66 +398,51 @@ class MyInteractiveApp(cmd.Cmd):
         return True  # Returning True stops the cmdloop()
     
     def do_make_table(self, arg):
-        """Create a custom E vs X table
+        """Create E vs X tables for particle, or isotopes
-        Ex: >> make table <particle> <max energy (optional) >"""
+        Ex: >> make table proton <max energy (optional) >
+        Ex: >> make table Co60 <max energy (optional) >
+        Ex: >> make table N17 <max energy (optional) >"""
         try:
             args = shlex.split(arg)
-            if args[0].endswith("s"):
+    
-                args[0] = args[0][:-1]
+            if not args:
-            particle = particles[args[0]]
+                print("Please enter desired reaction particle")
-            z = particle[0]
+                return
-            mass_u = particle[1]
+    
+            name = args[0]
+    
             if len(args) > 1:
                 emax_mev = float(args[1])
             else:
-                emax_mev = particle[2]
+                emax_mev = None
-            label = particle[3]
+    
+            z, mass_u, default_emax, label = resolve_particle(name)
+    
+            if emax_mev is None:
+                emax_mev = default_emax
+    
             x, E = make_E_vs_x(
-                z,#1
+                z,
-                mass_u,#1.0078,
+                mass_u,
                 emax_mev,
                 label,
                 self.buckets,
                 self.P,
                 self.T
             )
-        except IndexError:
+    
-            print("Please enter desired reaction particle")
-        except KeyError:
-            if self.temp_particle[3]:
-                try:
-                    print("Table not prepared, using custom particle")
-                    x, E = make_E_vs_x(
-                        self.temp_particle[0],#1
-                        self.temp_particle[1],#1.0078,
-                        self.temp_particle[2],
-                        self.temp_particle[3],
-                        self.buckets,
-                        self.P,
-                        self.T
-                    )
-                    label = self.temp_particle[3]
-                except:
-                    print("Custom particle failed")
-                    return
-            else:
-                print("Table not yet available \nPlease enter parameters into make_particle, type 'help' for more info")
-                return
             plt.figure(figsize=(8,6))
-
             plt.plot(x, E)
-
+            plt.xlabel("Distance (cm)")
-        plt.xlabel("Distance in Gas (cm)")
             plt.ylabel("Energy (MeV)")
             plt.title(f"Energy Loss Curve {label.capitalize()}")
-
             plt.grid(True)
-        
-        plt.savefig(f"Energy_Loss_Curve_{label.capitalize()}.png", dpi=300)
-
             plt.show()
     
-    def do_load_table(self, arg):
+        except Exception as e:
+            print(f"Error in make_table: {e}")
+    
+    def load_table(self, arg):
         args = shlex.split(arg)
         particle = args[0]
         filename = f"E_vs_x_{particle}.dat"
@@ -495,6 +509,7 @@ class MyInteractiveApp(cmd.Cmd):
             print("Please input particle, final energy from detector, and distance travelled")
             
     def do_uproot_file(self, arg):
+        """Open a specific root file for inspection"""
         args = shlex.split(arg)
         if len(args) > 0:
             filename = args[0]
@@ -508,6 +523,7 @@ class MyInteractiveApp(cmd.Cmd):
             print("Error: file not found")
     
     def do_print_file(self, arg):
+        """Print contents of ROOT file"""
         args = shlex.split(arg)
         file = self.file
         if "keys" in args or len(args) == 0:
@@ -516,6 +532,7 @@ class MyInteractiveApp(cmd.Cmd):
             print("Class names: ", file.classnames())
         
     def do_set_tree(self, arg):
+        """Set a specific tree from the file (default to 'tree')"""
         file = self.file
         if len(arg) > 0:
             treeName = f"tree{arg}"
@@ -592,7 +609,8 @@ class MyInteractiveApp(cmd.Cmd):
         self.shell_vars = local_vars
     
     def do_uproot(self, arg):
-        
+        """Start up an in-program command line to use root tools with python, 
+        look up 'uproot' for more details"""
         self.run_command_line()
 
 if __name__ == "__main__":