SAMBA-ilum 1.0.0.425__tar.gz → 1.0.0.426__tar.gz

{samba_ilum-1.0.0.425 → samba_ilum-1.0.0.426}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.425
+Version: 1.0.0.426
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.425 → samba_ilum-1.0.0.426}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.425
+Version: 1.0.0.426
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.425 → samba_ilum-1.0.0.426}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.425'
+version = '1.0.0.426'
 
 print(" ")
 print("=============================================================")

{samba_ilum-1.0.0.425 → samba_ilum-1.0.0.426}/samba_ilum/src/HeteroStructure_Generator.py

@@ -742,6 +742,7 @@ for s in range(len(files)):
        SLattice2 = np.loadtxt(diret + 'cells_Lattice2' + '/' + files[s]); SLattice2.shape
        #---------------------------------------------------------------------------------
 
+       #-----------------------------------------------------------------
        temp_area = files[s].replace('.dat', '').replace('_', ' ').split()
        area_min = temp_area[2];  area_max = temp_area[3]
        #-------------------------------------------------------------------------------------------------------------------------------------
@@ -758,7 +759,7 @@ for s in range(len(files)):
        #-------------------------
        for i in range(len(A1x)):
            for j in range(len(A2x)):
-
+          
                #---------------------------------------------------------
                # Criterio: Variação do ângulo de abertura das Lattice ---
                #---------------------------------------------------------
@@ -812,91 +813,89 @@ for s in range(len(files)):
 
 
 if (n_Lattice == 3):
-   cont = 0
-   #-------
-   if os.path.isfile(diret + 'cells_Lattice1' + '/' + files[s]):
-      if os.path.isfile(diret + 'cells_Lattice2' + '/' + files[s]):
-         if os.path.isfile(diret + 'cells_Lattice3' + '/' + files[s]):
-            cont = 1
-            #-------
-
-
-if (cont == 1 and n_Lattice == 3): 
    n += 1
-   #--------
+   #----------
    print(f' ')
    print(f'=================================================================')
    print(f'Passo {n}: Analisando os casamentos de rede (1º e 3º materiais) ===')
    print(f'=================================================================')
 
-   files = os.listdir(diret + 'cells_Lattice1')
    #===========================================
+   files = os.listdir(diret + 'cells_Lattice1')
    for s in range(len(files)):
+       cont = 0
+       #-------
+       if os.path.isfile(diret + 'cells_Lattice1' + '/' + files[s]):
+          if os.path.isfile(diret + 'cells_Lattice2' + '/' + files[s]):
+             if os.path.isfile(diret + 'cells_Lattice3' + '/' + files[s]):
+                cont = 1
+                #-------
+
        #---------------------------------
        print(f'etapa {s+1}/{len(files)}') 
        #---------------------------------
-
-       #-----------------------------------------------------------------------------------------------------------------------------------
-       SLattice1 = np.loadtxt(diret + 'Matching_Lattices' + '/Matching_Lattices_' + area_min + '_' + area_max + '_12.dat'); SLattice1.shape
-       SLattice3 = np.loadtxt(diret + 'cells_Lattice3' + '/' + files[s]); SLattice3.shape
-       #---------------------------------------------------------------------------------------------------------------
-       Structures = open(diret + 'Matching_Lattices' + '/Matching_Lattices_' + area_min + '_' + area_max + '.dat', "w")
-       #---------------------------------------------------------------------------------------------------------------
-       temp_area = files[s].replace('.dat', '').replace('_', ' ').split()
-       area_min = temp_area[2];  area_max = temp_area[3]
-       #-----------------------------------------------------------------------------------------------------------------------------------------------------------
-       A1x = SLattice1[:,0]; A1y = SLattice1[:,1]; dA1 = SLattice1[:,2]; B1x = SLattice1[:,3];  B1y = SLattice1[:,4];  dB1 = SLattice1[:,5];  ang1 = SLattice1[:,6]
-       A2x = SLattice1[:,7]; A2y = SLattice1[:,8]; dA2 = SLattice1[:,9]; B2x = SLattice1[:,10]; B2y = SLattice1[:,11]; dB2 = SLattice1[:,12]; ang2 = SLattice1[:,13]
-       A3x = SLattice3[:,0]; A3y = SLattice3[:,1]; dA3 = SLattice3[:,2]; B3x = SLattice3[:,3];  B3y = SLattice3[:,4];  dB3 = SLattice3[:,5];  ang3 = SLattice3[:,6]
-       #-----------------------------------------------------------------------------------------------------------------------------------------------------------
-       MT3_00 = SLattice3[:,7];  MT3_01 = SLattice3[:,8];  MT3_10 = SLattice3[:,9];  MT3_11 = SLattice3[:,10]
-       #-----------------------------------------------------------------------------------------------------
-
-       #-------------------------
-       for i in range(len(A1x)):
-           for j in range(len(A3x)):
-
-               #---------------------------------------------------------
-               # Criterio: Variação do ângulo de abertura das Lattice ---
-               #---------------------------------------------------------
-               var_angle_1 = ((ang3[j] -ang1[i])/ang1[i])*100;  var_angle_1 = round(var_angle_1, 4)
-               var_angle_3 = ((ang1[i] -ang3[j])/ang3[j])*100;  var_angle_3 = round(var_angle_3, 4)
-               ang_diff    = (ang1[i] -ang3[j])
-               #---------------------------------------------------------------------------------------------------------------------
-               if (abs(var_angle_1) <= crit_angle_perc and abs(var_angle_3) <= crit_angle_diff and abs(ang_diff) <= crit_angle_diff):
-                  #--------------------------------------------
-                  # Criterio: mismatch da área ----------------
-                  #--------------------------------------------
-                  A1 = np.array([A1x[i], A1y[i]]);  B1 = np.array([B1x[i], B1y[i]]);  area_cell1 = np.linalg.norm(np.cross(A1, B1))
-                  A3 = np.array([A3x[j], A3y[j]]);  B3 = np.array([B3x[j], B3y[j]]);  area_cell3 = np.linalg.norm(np.cross(A3, B3))
-                  var_area_cell1 = ((area_cell3 -area_cell1)/area_cell1)*100;  var_area_cell1 = round(var_area_cell1, 4)
-                  var_area_cell3 = ((area_cell1 -area_cell3)/area_cell3)*100;  var_area_cell3 = round(var_area_cell3, 4)
-                  #--------------------------------------------------------------------------
-                  if (abs(var_area_cell1) <= crit_area and abs(var_area_cell3) <= crit_area):
+       if (cont == 1):
+          #-----------------------------------------------------------------------------------------------------------------------------------
+          SLattice1 = np.loadtxt(diret + 'Matching_Lattices' + '/Matching_Lattices_' + area_min + '_' + area_max + '_12.dat'); SLattice1.shape
+          SLattice3 = np.loadtxt(diret + 'cells_Lattice3' + '/' + files[s]); SLattice3.shape
+          #---------------------------------------------------------------------------------------------------------------
+          Structures = open(diret + 'Matching_Lattices' + '/Matching_Lattices_' + area_min + '_' + area_max + '.dat', "w")
+          #---------------------------------------------------------------------------------------------------------------
+          temp_area = files[s].replace('.dat', '').replace('_', ' ').split()
+          area_min = temp_area[2];  area_max = temp_area[3]
+          #-----------------------------------------------------------------------------------------------------------------------------------------------------------
+          A1x = SLattice1[:,0]; A1y = SLattice1[:,1]; dA1 = SLattice1[:,2]; B1x = SLattice1[:,3];  B1y = SLattice1[:,4];  dB1 = SLattice1[:,5];  ang1 = SLattice1[:,6]
+          A2x = SLattice1[:,7]; A2y = SLattice1[:,8]; dA2 = SLattice1[:,9]; B2x = SLattice1[:,10]; B2y = SLattice1[:,11]; dB2 = SLattice1[:,12]; ang2 = SLattice1[:,13]
+          A3x = SLattice3[:,0]; A3y = SLattice3[:,1]; dA3 = SLattice3[:,2]; B3x = SLattice3[:,3];  B3y = SLattice3[:,4];  dB3 = SLattice3[:,5];  ang3 = SLattice3[:,6]
+          #-----------------------------------------------------------------------------------------------------------------------------------------------------------
+          MT3_00 = SLattice3[:,7];  MT3_01 = SLattice3[:,8];  MT3_10 = SLattice3[:,9];  MT3_11 = SLattice3[:,10]
+          #-----------------------------------------------------------------------------------------------------
+
+          #-------------------------
+          for i in range(len(A1x)):
+              for j in range(len(A3x)):
+
+                  #---------------------------------------------------------
+                  # Criterio: Variação do ângulo de abertura das Lattice ---
+                  #---------------------------------------------------------
+                  var_angle_1 = ((ang3[j] -ang1[i])/ang1[i])*100;  var_angle_1 = round(var_angle_1, 4)
+                  var_angle_3 = ((ang1[i] -ang3[j])/ang3[j])*100;  var_angle_3 = round(var_angle_3, 4)
+                  ang_diff    = (ang1[i] -ang3[j])
+                  #---------------------------------------------------------------------------------------------------------------------
+                  if (abs(var_angle_1) <= crit_angle_perc and abs(var_angle_3) <= crit_angle_diff and abs(ang_diff) <= crit_angle_diff):
+                     #--------------------------------------------
+                     # Criterio: mismatch da área ----------------
+                     #--------------------------------------------
+                     A1 = np.array([A1x[i], A1y[i]]);  B1 = np.array([B1x[i], B1y[i]]);  area_cell1 = np.linalg.norm(np.cross(A1, B1))
+                     A3 = np.array([A3x[j], A3y[j]]);  B3 = np.array([B3x[j], B3y[j]]);  area_cell3 = np.linalg.norm(np.cross(A3, B3))
+                     var_area_cell1 = ((area_cell3 -area_cell1)/area_cell1)*100;  var_area_cell1 = round(var_area_cell1, 4)
+                     var_area_cell3 = ((area_cell1 -area_cell3)/area_cell3)*100;  var_area_cell3 = round(var_area_cell3, 4)
                      #--------------------------------------------------------------------------
-                     # Cálculo do mismatch do módulo dos vetores A e B -------------------------
-                     #--------------------------------------------------------------------------
-                     var_A1 = ((dA3[j] -dA1[i])/dA1[i])*100;  var_A1 = round(var_A1, 4)
-                     var_B1 = ((dB3[j] -dB1[i])/dB1[i])*100;  var_B1 = round(var_B1, 4)
-                     #-----------------------------------------------------------------
-                     if (abs(var_A1) <= crit_mod_vector and abs(var_B1) <= crit_mod_vector):
-                        var_A3 = ((dA1[i] -dA3[j])/dA3[j])*100;  var_A3 = round(var_A3, 4)
-                        var_B3 = ((dB1[i] -dB3[j])/dB3[j])*100;  var_B3 = round(var_B3, 4)
+                     if (abs(var_area_cell1) <= crit_area and abs(var_area_cell3) <= crit_area):
+                        #--------------------------------------------------------------------------
+                        # Cálculo do mismatch do módulo dos vetores A e B -------------------------
+                        #--------------------------------------------------------------------------
+                        var_A1 = ((dA3[j] -dA1[i])/dA1[i])*100;  var_A1 = round(var_A1, 4)
+                        var_B1 = ((dB3[j] -dB1[i])/dB1[i])*100;  var_B1 = round(var_B1, 4)
                         #-----------------------------------------------------------------
-                        if (abs(var_A3) <= crit_mod_vector and abs(var_B3) <= crit_mod_vector):
-                           #============================================================================================
-                           Structures.write(f'{v1Ax[i]:>14,.9f} {v1Ay[i]:>14,.9f} {v1Bx[i]:>14,.9f} {v1By[i]:>14,.9f} ')
-                           Structures.write(f'{v2Ax[i]:>14,.9f} {v2Ay[i]:>14,.9f} {v2Bx[i]:>14,.9f} {v2By[i]:>14,.9f} ')
-                           Structures.write(f'{v3Ax[j]:>14,.9f} {v3Ay[j]:>14,.9f} {v3Bx[j]:>14,.9f} {v3By[j]:>14,.9f} ')
-                           Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
-                           Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
-                           Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
-                           Structures.write(f'{MT2_00[i]} {MT2_01[i]} {MT2_10[i]} {MT2_11[i]} ')
-                           Structures.write(f'{MT3_00[j]} {MT3_01[j]} {MT3_10[j]} {MT3_11[j]} \n')
-                           #======================================================================
-       #-----------------
-       Structures.close()
-       #-----------------
+                        if (abs(var_A1) <= crit_mod_vector and abs(var_B1) <= crit_mod_vector):
+                           var_A3 = ((dA1[i] -dA3[j])/dA3[j])*100;  var_A3 = round(var_A3, 4)
+                           var_B3 = ((dB1[i] -dB3[j])/dB3[j])*100;  var_B3 = round(var_B3, 4)
+                           #-----------------------------------------------------------------
+                           if (abs(var_A3) <= crit_mod_vector and abs(var_B3) <= crit_mod_vector):
+                              #============================================================================================
+                              Structures.write(f'{v1Ax[i]:>14,.9f} {v1Ay[i]:>14,.9f} {v1Bx[i]:>14,.9f} {v1By[i]:>14,.9f} ')
+                              Structures.write(f'{v2Ax[i]:>14,.9f} {v2Ay[i]:>14,.9f} {v2Bx[i]:>14,.9f} {v2By[i]:>14,.9f} ')
+                              Structures.write(f'{v3Ax[j]:>14,.9f} {v3Ay[j]:>14,.9f} {v3Bx[j]:>14,.9f} {v3By[j]:>14,.9f} ')
+                              Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
+                              Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
+                              Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
+                              Structures.write(f'{MT2_00[i]} {MT2_01[i]} {MT2_10[i]} {MT2_11[i]} ')
+                              Structures.write(f'{MT3_00[j]} {MT3_01[j]} {MT3_10[j]} {MT3_11[j]} \n')
+                              #======================================================================
+          #-----------------
+          Structures.close()
+          #-----------------
 
 
 #==============================================

{samba_ilum-1.0.0.425 → samba_ilum-1.0.0.426}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.425",
+    version = "1.0.0.426",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",