SAMBA-ilum 1.0.0.431__tar.gz → 1.0.0.433__tar.gz

{samba_ilum-1.0.0.431 → samba_ilum-1.0.0.433}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.431
+Version: 1.0.0.433
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.431 → samba_ilum-1.0.0.433}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.431
+Version: 1.0.0.433
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.431 → samba_ilum-1.0.0.433}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.431'
+version = '1.0.0.433'
 
 print(" ")
 print("=============================================================")

{samba_ilum-1.0.0.431 → samba_ilum-1.0.0.433}/samba_ilum/src/HeteroStructure_Generator.py

@@ -795,9 +795,9 @@ for s in range(len(files)):
                               Structures.write(f'0.0 0.0 0.0 0.0 \n')
                               #======================================
                            if (n_Lattice == 3):
-                              #====================================================================================
-                              Structures.write(f'{A1x[i]} {A1y[i]} {dA1[i]} {B1x[i]} {B1y[i]} {dB1[i]} {ang1[i]} ')
-                              Structures.write(f'{A2x[j]} {A2y[j]} {dA2[j]} {B2x[j]} {B2y[j]} {dB2[j]} {ang2[j]} ')
+                              #====================================================================================================================
+                              Structures.write(f'{A1x[i]:>14,.9f} {A1y[i]:>14,.9f} {dA1[i]} {B1x[i]:>14,.9f} {B1y[i]:>14,.9f} {dB1[i]} {ang1[i]} ')
+                              Structures.write(f'{A2x[j]:>14,.9f} {A2y[j]:>14,.9f} {dA2[j]} {B2x[j]:>14,.9f} {B2y[j]:>14,.9f} {dB2[j]} {ang2[j]} ')
                               Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
                               Structures.write(f'{MT2_00[j]} {MT2_01[j]} {MT2_10[j]} {MT2_11[j]} \n')
                               #======================================================================
@@ -821,29 +821,32 @@ if (n_Lattice == 3):
        if ( os.path.getsize(diret + 'Matching_Lattices' + '/' + files[s]) == 0 ):
           os.remove(diret + 'Matching_Lattices' + '/' + files[s])
 
-   #===========================================
-   files = os.listdir(diret + 'cells_Lattice1')
+   #==============================================
+   files = os.listdir(diret + 'Matching_Lattices')
    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
-                #-------
+       #-----------------------------------------------------------------------------------------------
+       files_lattice3 = files[s].replace("Matching_Lattices","Cells_Lattice").replace("_12.dat",".dat")
+       #-----------------------------------------------------------------------------------------------
+       if os.path.isfile(diret + 'Matching_Lattices' + '/' + files[s]):
+          if os.path.isfile(diret + 'cells_Lattice3' + '/' + files_lattice3):
+             cont = 1
+             #-------
 
        #---------------------------------
        print(f'etapa {s+1}/{len(files)}')
        #---------------------------------
        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
+          #-----------------------------------------------------------------
+          temp_area = files[s].replace('.dat', '').replace('_', ' ').split()
+          area_min = temp_area[2];  area_max = temp_area[3]
+          #------------------------------------------------------------------------------------
+          SLattice1 = np.loadtxt(diret + 'Matching_Lattices' + '/' + files[s]); SLattice1.shape
+          SLattice3 = np.loadtxt(diret + 'cells_Lattice3' + '/' + files_lattice3); 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]
@@ -895,7 +898,9 @@ if (n_Lattice == 3):
                               #======================================================================
           #-----------------
           Structures.close()
-          #-----------------
+       #------------------------------------------------------
+       os.remove(diret + 'Matching_Lattices' + '/' + files[s])
+       #------------------------------------------------------
 
 
 #==============================================

{samba_ilum-1.0.0.431 → samba_ilum-1.0.0.433}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.431",
+    version = "1.0.0.433",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",