add (a,a) reaction

Raphael/reactionData.py

@@ -8,6 +8,12 @@ from clebschGordan import  obeys_triangle_rule
 from distortedWave import DistortedWave
 import opticalPotentials as op
 
+from enum import Enum
+
+class ReactionType(Enum):
+   inelastic = 1 #also elastic
+   transfer = 2
+   chargeExchange = 3
   
 def approximate_to_half_integer(value):
   return round(value * 2) / 2
@@ -50,41 +56,76 @@ class ReactionData:
 
     # print("-------- spin_B",self.spin_B)
 
-    if self.A_a == 2 and self.Z_a == 1:
-        self.spin_a = 1.0
-        self.spin_b = 0.5
-    else:
-        self.spin_a = 0.5
-        self.spin_b = 1.0
 
-    #====== transfering nucleon
+    #------------ check reaction type
-    self.s = 1/2 # spin of x, neutron or proton
+    self.reactionType = 0
-    self.A_x = abs(self.A_a - self.A_b)
+    if self.A_a == self.A_b and self.Z_a == self.Z_b :
-    self.Z_x = abs(self.Z_a - self.Z_b)
+        self.reactionType = ReactionType.inelastic
 
-    mass_x = iso.GetMassFromAZ(self.A_x, self.Z_x)
+    if self.A_a == self.A_b and self.Z_a != self.Z_b :
+      self.reactionType = ReactionType.chargeExchange
+      print("Charge exchaneg reaction does not support.")
+      return
 
-    #======== core
+    if self.A_a != self.A_b :
-    if self.A_A < self.A_B : # (d,p)
+      self.reactionType = ReactionType.transfer
-        self.A_c = self.A_A
+    
-        self.Z_c = self.Z_A
+    # if self.A_a == 2 and self.Z_a == 1:
-        self.BindingEnergy = mass_B - mass_A - mass_x + ExB
+    #     self.spin_a = 1.0
-    else:  #(p,d)
+    #     self.spin_b = 0.5
-        self.A_c = self.A_B
+    # else:
-        self.Z_c = self.Z_B
+    #     self.spin_a = 0.5
-        self.BindingEnergy = mass_A - mass_B - ExB - mass_x
+    #     self.spin_b = 1.0
 
-    #=================== digest orbital
+    self.spin_a = float(eval(re.sub(r'[+-]', '', iso.GetJpi(self.A_a, self.Z_a))))
-    match = re.search(r'[a-zA-Z]', orbital)  # Find first letter
+    self.spin_b = float(eval(re.sub(r'[+-]', '', iso.GetJpi(self.A_b, self.Z_b))))
-    if match:
-        index = match.start()  # Get position of the first letter
-        
-    self.node = int(orbital[:index])
-    self.l_sym = orbital[index:index+1]
-    j_sym = orbital[index+1:]
-    self.j = eval(j_sym)
-    self.l = op.ConvertLSym(self.l_sym)
 
+    if self.reactionType == ReactionType.transfer:
+      #====== transfering nucleon
+      self.s = 1/2 # spin of x, neutron or proton
+      self.A_x = abs(self.A_a - self.A_b)
+      self.Z_x = abs(self.Z_a - self.Z_b)
+
+      mass_x = iso.GetMassFromAZ(self.A_x, self.Z_x)
+
+      #======== core
+      if self.A_A < self.A_B : # (d,p)
+          self.A_c = self.A_A
+          self.Z_c = self.Z_A
+          self.BindingEnergy = mass_B - mass_A - mass_x + ExB
+      else:  #(p,d)
+          self.A_c = self.A_B
+          self.Z_c = self.Z_B
+          self.BindingEnergy = mass_A - mass_B - ExB - mass_x
+
+      #=================== digest orbital
+      match = re.search(r'[a-zA-Z]', orbital)  # Find first letter
+      if match:
+          index = match.start()  # Get position of the first letter
+
+      self.node = int(orbital[:index])
+      self.l_sym = orbital[index:index+1]
+      j_sym = orbital[index+1:]
+      self.j = eval(j_sym)
+      self.l = op.ConvertLSym(self.l_sym)
+
+    if self.reactionType == ReactionType.inelastic :
+      self.s = 0 
+      self.A_x = 0
+      self.Z_x = 0
+
+      mass_x = 0
+
+      self.A_c = self.A_A
+      self.Z_c = self.Z_A
+      self.BindingEnergy = 0
+
+      self.node = 0
+      self.l_sym = "0"
+      self.l = 2
+      self.j = 2
+
+    #======== regulate spin to half integer
     self.j = approximate_to_half_integer(self.j)
     self.s = approximate_to_half_integer(self.s)
     self.spin_a = approximate_to_half_integer(self.spin_a)

dwuck4/DWtest3.DAT

@@ -1,24 +1,16 @@
 10001310500100000    16O(a,a)16O  6.971 2+, 40MeV
 +181.    +00.    +01.0
-+15+01+02+02
++15+01+02+04
 +00.10  +00.000 +15.000
-+40.00  +04.    +02.    +16.    +08.    +01.30                  +00.
++40.00  +04.    +02.    +16.    +08.    +01.35                  +00.
-+01.    -88.955 +01.149 +00.675         -02.348 +01.345 +00.603     
++01.    -150.36 +01.342 +00.658         -01.619 +01.426 +00.658     
-+02.            +01.394 +00.687         +40.872 +01.394 +00.687
+-02.            +01.394 +00.687         +97.576 +01.293 +00.636
--04.    -14.228 +00.972 +01.011                 +01.562 +00.477     
+-6.971  +04.    +02.    +16.    +08.    +01.35                  +00.  
--6.971  +04.    +02.    +16.    +08.    +01.30                  +00.  
++01.    -154.37 +01.342 +00.658         -00.644 +01.426 +00.658
-+01.    -49.544 +01.146 +00.675         -02.061 +01.146 +00.675
+-02.                                    +99.780 +01.293 +00.636
-+02.                                    +30.680 +01.302 +00.528
++00.000 +01.000 +00.000 +16.000 +08.    +01.35                  +00.     
--04.    -21.184 +00.934 +00.590         +00.424 +00.934 +00.590
++11.000 -154.37 +01.342 +00.658         -00.644 +01.426 +00.658
-
++00.10  +02.
--00.00  +01.    +00.    +16.    +08.    +01.30                  +00.  
+-12.                                    +99.780 +01.293 +00.636   
-+02.000 -46.380 +01.250 +00.735 +00.    +00.000 +01.250 +00.735 +00.000        
++00.10  +02.  
--03.000 +00.000 +01.250 +00.437 +00.000 +61.400 +01.250 +00.437 +00.000  
+9                                     END OF DATA  DWUCK4 test cases
-
-+00.000 +01.000 +00.000 +16.000 +08.    +01.250 +00.000 +00.000 +00.000        
-+11.000 -46.380 +01.250 +00.735 +00.    +00.000 +01.250 +00.735 +00.000        
-+00.10    +03.
--12.000 +00.000 +01.250 +00.437 +00.    +61.400 +01.250 +00.437 +00.000        
-+00.10  +03.  
-
-9                    END OF DATA  DWUCK4 test cases

dwuck4/extractData.py

@@ -390,20 +390,22 @@ extract_LmaxSaSb() ## must be run first
 bs_data = extract_BoundState()
 # plot_BoundState(bs_data)
 
-sAmpIn, sAmpOut = extract_ScatAmp()
+# sAmpIn, sAmpOut = extract_ScatAmp()
-plot_SMatrix(sAmpIn, sa)
+# plot_SMatrix(sAmpIn, sa)
-plot_SMatrix(sAmpOut, sb)
+# plot_SMatrix(sAmpOut, sb)
 
 # elXsec_data = extract_ElasticXsec()
 # plot_Xsec(elXsec_data)
 
-JA=2.5
+JA=0
-JB=0
+JB=2
-j=2.5
+j=2
-D0 = 1.55
+D0 = 1.0
 spinFactor=(2*JB+1)/(2*JA+1)/(2*j+1)
 scalingFactor=spinFactor*D0*10
 
+scalingFactor = 5.74
+
 print(f"spin factor : {spinFactor}")
 print(f"         D0 : {D0}")
 print(f"    scaling : {scalingFactor}")

dwuck4/inFileCreatorDW.py

@@ -18,7 +18,7 @@ sys.path.append(os.path.join(os.path.dirname(__file__), '../Cleopatra'))
 sys.path.append(os.path.join(os.path.dirname(__file__), '../Raphael'))
 from IAEANuclearData import IsotopeClass
 import opticalPotentials as op
-from reactionData import ReactionData
+from reactionData import ReactionData, ReactionType
 
 #####################################################
 
@@ -27,6 +27,12 @@ from reactionData import ReactionData
 #####################################################
 import re
 
+def format_number(x):
+    formatted = f"{x:+08.4f}"  # Default to 4 decimal places
+    if len(formatted) > 8:  # If it exceeds 8 characters, reduce decimal places
+        formatted = f"{x:+08.{max(0, 8 - len(str(int(x))) - 1)}f}"
+    return formatted[:8]  # Ensure final length is exactly 8
+
 #================== digest reaction
 
 nuclei = re.split(r'[(),]', reaction)
@@ -38,6 +44,12 @@ nu_B = nuclei[3]
 
 reactionData = ReactionData(nu_A, nu_a, nu_b, JB_pi, orbital, Ex, ELab)
 
+reactionType = reactionData.reactionType
+
+if reactionType == ReactionType.chargeExchange:
+    print("charger exchange reaction not supported")
+    exit() 
+
 sym_A = reactionData.sym_A
 A_A = reactionData.A_A
 Z_A = reactionData.Z_A
@@ -57,6 +69,8 @@ l_sym = reactionData.l_sym
 spin_a = reactionData.spin_a
 spin_b = reactionData.spin_b
 
+spin_B = reactionData.spin_B
+
 l = reactionData.l
 j = reactionData.j
 
@@ -64,9 +78,11 @@ Q_value = reactionData.Q_value
 BindingEnergy = reactionData.BindingEnergy
 
 #=================== outfile name
-fileOutName = str(sym_A) + str(A_A) + "_" + str(nu_a) + str(nu_b) + "_" \
+if reactionType == ReactionType.transfer:
+    fileOutName = str(sym_A) + str(A_A) + "_" + str(nu_a) + str(nu_b) + "_" \
            + str(node) + str(l_sym) + str(int(2*j)) + "_" + str(Ex) + "_" + str(ELab) + "_" + JB_pi +".in"
-
+else:
+    fileOutName = str(sym_A) + str(A_A) + "_" + str(nu_a) + str(nu_b) + "_" + str(Ex) + "_" + str(ELab) + "_" + JB_pi +".in"
 
 #=================== find the maximum L for partial wave
 mass_I = reactionData.mass_I # reduced mass of incoming channel
@@ -89,7 +105,7 @@ with open(fileOutName, "w") as file:
     if A_a == 1 :
         pot = op.Koning(A_A, Z_A, A_a*ELab, Z_a)
     if A_a == 4 :
-        pot == op.SuAndHan(A_A, Z_A, A_a*ELab)
+        pot = op.SuAndHan(A_A, Z_A, A_a*ELab)
 
     file.write(f"{A_a*ELab:+08.4f}")
     file.write(f"{A_a:+08.4f}")
@@ -102,31 +118,32 @@ with open(fileOutName, "w") as file:
     file.write(f"{2*spin_a:+08.4f}\n")
     # Woods-Saxon
     file.write(f"{1:+08.4f}") 
-    file.write(f"{-pot.v:+08.4f}") # real
+    file.write(format_number(-pot.v)) # real
     file.write(f"{pot.r0:+08.4f}") # 
     file.write(f"{pot.a:+08.4f}") # 
     file.write(f"{'':8s}") # spin-orbit skipped
     file.write(f"{-pot.vi:+08.4f}") # imag
     file.write(f"{pot.ri0:+08.4f}") # 
     file.write(f"{pot.ai:+08.4f}\n") # 
+    if A_a != 4 and Z_a != 2 :
+        # Spin-Orbit 
+        file.write(f"{4:+08.4f}") 
+        file.write(f"{-4*pot.vso:+08.4f}") # real
+        file.write(f"{pot.rso0:+08.4f}") # 
+        file.write(f"{pot.aso:+08.4f}") # 
+        file.write(f"{'':8s}") # spin-orbit skipped
+        file.write(f"{-4*pot.vsoi:+08.4f}") # imag
+        file.write(f"{pot.rsoi0:+08.4f}") # 
+        file.write(f"{pot.asoi:+08.4f}\n") # 
     # Woods-Saxon surface
-    file.write(f"{2:+08.4f}") 
+    file.write(f"{-2:+08.4f}") 
     file.write(f"{'':8s}") # real
     file.write(f"{'':8s}") # 
     file.write(f"{'':8s}") # 
     file.write(f"{'':8s}") # spin-orbit skipped
-    file.write(f"{4*pot.vsi:+08.4f}") # imag
+    file.write(format_number(4*pot.vsi)) # real
     file.write(f"{pot.rsi0:+08.4f}") # 
     file.write(f"{pot.asi:+08.4f}\n") # 
-    # Spin-Orbit 
-    file.write(f"{-4:+08.4f}") 
-    file.write(f"{-4*pot.vso:+08.4f}") # real
-    file.write(f"{pot.rso0:+08.4f}") # 
-    file.write(f"{pot.aso:+08.4f}") # 
-    file.write(f"{'':8s}") # spin-orbit skipped
-    file.write(f"{-4*pot.vsoi:+08.4f}") # imag
-    file.write(f"{pot.rsoi0:+08.4f}") # 
-    file.write(f"{pot.asoi:+08.4f}\n") # 
 #===== Block 6
     Eout = A_a*ELab + Q_value - Ex
     if A_b == 1 :
@@ -147,52 +164,95 @@ with open(fileOutName, "w") as file:
     file.write(f"{2*spin_b:+08.4f}\n")
     # Woods-Saxon
     file.write(f"{1:+08.4f}") 
-    file.write(f"{-pot.v:+08.4f}") # real
+    file.write(format_number(-pot.v)) # real
     file.write(f"{pot.r0:+08.4f}") # 
     file.write(f"{pot.a:+08.4f}") # 
     file.write(f"{'':8s}") # spin-orbit skipped
     file.write(f"{-pot.vi:+08.4f}") # imag
     file.write(f"{pot.ri0:+08.4f}") # 
     file.write(f"{pot.ai:+08.4f}\n") # 
+    if A_a != 4 and Z_a != 2 :
+        # Spin-Orbit 
+        file.write(f"{4:+08.4f}") 
+        file.write(f"{-4*pot.vso:+08.4f}") # real
+        file.write(f"{pot.rso0:+08.4f}") # 
+        file.write(f"{pot.aso:+08.4f}") # 
+        file.write(f"{'':8s}") # spin-orbit skipped
+        file.write(f"{-4*pot.vsoi:+08.4f}") # imag
+        file.write(f"{pot.rsoi0:+08.4f}") # 
+        file.write(f"{pot.asoi:+08.4f}\n") # 
     # Woods-Saxon surface
-    file.write(f"{2:+08.4f}") 
+    file.write(f"{-2:+08.4f}") 
     file.write(f"{'':8s}") # real
     file.write(f"{'':8s}") # 
     file.write(f"{'':8s}") # 
     file.write(f"{'':8s}") # spin-orbit skipped
-    file.write(f"{4*pot.vsi:+08.4f}") # imag
+    file.write(format_number(4*pot.vsi)) # imag
     file.write(f"{pot.rsi0:+08.4f}") # 
     file.write(f"{pot.asi:+08.4f}\n") # 
-    # Spin-Orbit 
-    file.write(f"{-4:+08.4f}") 
-    file.write(f"{-4*pot.vso:+08.4f}") # real
-    file.write(f"{pot.rso0:+08.4f}") # 
-    file.write(f"{pot.aso:+08.4f}") # 
-    file.write(f"{'':8s}") # spin-orbit skipped
-    file.write(f"{-4*pot.vsoi:+08.4f}") # imag
-    file.write(f"{pot.rsoi0:+08.4f}") # 
-    file.write(f"{pot.asoi:+08.4f}\n") # 
 #====== bound state
-    file.write(f"{BindingEnergy:+08.4f}")
+    if A_a - A_b == 1: #transfer
-    file.write(f"{A_x:+08.4f}")
+        file.write(f"{BindingEnergy:+08.4f}")
-    file.write(f"{Z_x:+08.4f}")
+        file.write(f"{A_x:+08.4f}")
-    file.write(f"{A_c:+08.4f}")
+        file.write(f"{Z_x:+08.4f}")
-    file.write(f"{Z_c:+08.4f}")
+        file.write(f"{A_c:+08.4f}")
-    file.write(f"{1.30:+08.4f}") # Coulomb radius
+        file.write(f"{Z_c:+08.4f}")
-    file.write(f"{'':8s}") # 
+        file.write(f"{1.30:+08.4f}") # Coulomb radius
-    file.write(f"{'':8s}") # 
+        file.write(f"{'':8s}") # 
-    file.write(f"{1:+08.4f}\n") # neutron spin x 2
+        file.write(f"{'':8s}") # 
-    # Woods-Saxon
+        file.write(f"{1:+08.4f}\n") # neutron spin x 2
-    file.write(f"{-1:+08.4f}") 
+        # Woods-Saxon
-    file.write(f"{-1:+08.4f}") # real
+        file.write(f"{-1:+08.4f}") 
-    file.write(f"{1.1:+08.4f}") # 
+        file.write(f"{-1:+08.4f}") # real
-    file.write(f"{0.65:+08.4f}") # 
+        file.write(f"{1.1:+08.4f}") # 
-    file.write(f"{24:+8.4f}\n") # spin-orbit 
+        file.write(f"{0.65:+08.4f}") # 
-    # orbital
+        file.write(f"{24:+8.4f}\n") # spin-orbit 
-    file.write(f"{node:+08.4f}") 
+        # orbital
-    file.write(f"{l:+08.4f}") 
+        file.write(f"{node:+08.4f}") 
-    file.write(f"{2*j:+08.4f}") 
+        file.write(f"{l:+08.4f}") 
-    file.write(f"{1:+08.4f}")  # 2 x nuetron spin
+        file.write(f"{2*j:+08.4f}") 
-    file.write(f"{58:+08.4f}\n") 
+        file.write(f"{1:+08.4f}")  # 2 x nuetron spin
+        file.write(f"{58:+08.4f}\n") 
+    if A_a - A_b == 0 : # inelastic
+        if A_a == 2 :
+            pot = op.AnCai(A_A, Z_A, A_a*ELab)
+        if A_a == 1 :
+            pot = op.Koning(A_A, Z_A, A_a*ELab, Z_a)
+        if A_a == 4 :
+            pot = op.SuAndHan(A_A, Z_A, A_a*ELab)        
+        file.write(f"{BindingEnergy:+08.4f}")
+        file.write(f"{A_x:+08.4f}")
+        file.write(f"{Z_x:+08.4f}")
+        file.write(f"{A_c:+08.4f}")
+        file.write(f"{Z_c:+08.4f}")
+        file.write(f"{pot.rc0:+08.4f}") # Coulomb radius
+        file.write(f"{'':8s}") # 
+        file.write(f"{'':8s}") # 
+        file.write(f"{0:+08.4f}\n") 
+        
+        file.write(f"{11:+08.4f}") 
+        # file.write(f"{-pot.v:+08.4f}") # real
+        file.write(format_number(-pot.v)) # real
+        file.write(f"{pot.r0:+08.4f}") # 
+        file.write(f"{pot.a:+08.4f}") # 
+        file.write(f"{'':8s}") # spin-orbit skipped
+        file.write(f"{-pot.vi:+08.4f}") # imag
+        file.write(f"{pot.ri0:+08.4f}") # 
+        file.write(f"{pot.ai:+08.4f}\n") # 
+        
+        file.write(f"{0.01:+08.4f}") # 
+        file.write(f"{spin_B:+08.4f}\n") # 
+
+        file.write(f"{-12:+08.4f}") 
+        file.write(f"{'':8s}") # real
+        file.write(f"{'':8s}") # 
+        file.write(f"{'':8s}") # 
+        file.write(f"{'':8s}") # spin-orbit skipped
+        file.write(format_number(4*pot.vsi)) # imag
+        file.write(f"{pot.rsi0:+08.4f}") # 
+        file.write(f"{pot.asi:+08.4f}\n") # 
+        
+        file.write(f"{0.01:+08.4f}") # 
+        file.write(f"{spin_B:+08.4f}\n") # 
 #======== end of input
     file.write("9                           end of input card")

dwuck4/test.dat

@@ -1,26 +0,0 @@
-1011000030000000    FE56(P,P)FE56* L=3-     SPIN ORBIT = OPTION 4               
-+37.0000+00.0000+05.0000                                                        
-+15+02+03+03                                                                    
-+00.1000+00.0000+15.0000   
-
-+22.5000+01.0078+01.0000+56.0000+26.0000+01.2500+00.0000+00.0000+01.0000        
-+04.    -28.2   +01.25  +00.735 +00.    +00.    +01.25  +00.735 +00.            
-+01.0000-46.3800+01.2500+00.7350+00.    +00.0000+01.2500+00.7350+00.0000        
--02.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000  
-
--04.4999+01.0078+01.0000+56.0000+26.0000+01.2500+00.0000+00.0000+01.0000        
-+04.    -28.2   +01.25  +00.735 +00.    +00.    +01.25  +00.735 +00.            
-+01.0000-46.3800+01.2500+00.7350+00.    +00.0000+01.2500+00.7350+00.0000        
--02.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000  
-
-+00.0000+01.0000+00.0000+56.0000+26.0000+01.2500+00.0000+00.0000+00.0000        
-+02.0000-46.3800+01.2500+00.7350+00.    +00.0000+01.2500+00.7350+00.0000        
--03.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000  
-
-+00.0000+01.0000+00.0000+56.0000+26.0000+01.2500+00.0000+00.0000+00.0000        
-+11.0000-46.3800+01.2500+00.7350+00.    +00.0000+01.2500+00.7350+00.0000        
-+00.10    +03.
--12.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000        
-+00.10  +03.    
-
-9                    END OF DATA  DWUCK4 test cases