Remove raw input.

dev_scripts/chemenv/explicit_permutations.py

@@ -34,7 +34,7 @@ class Algo(object):
     # Choose the geometry
     allcg = AllCoordinationGeometries()
     while True:
-        cg_symbol = raw_input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
+        cg_symbol = input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
         try:
             cg = allcg[cg_symbol]
             break
@@ -87,7 +87,7 @@ class Algo(object):
         else:
             raise ValueError('WRONG ALGORITHM !')
 
-    test = raw_input('Save it ? ("y" to confirm)')
+    test = input('Save it ? ("y" to confirm)')
     if test == 'y':
         if len(cg.algorithms) != 1:
             raise ValueError('Multiple algorithms !')

dev_scripts/chemenv/explicit_permutations_plane_algorithm.py

@@ -21,7 +21,7 @@
     # Choose the geometry
     allcg = AllCoordinationGeometries()
     while True:
-        cg_symbol = raw_input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
+        cg_symbol = input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
         try:
             cg = allcg[cg_symbol]
             break
@@ -105,7 +105,7 @@
         print(cgsm)
         if cgsm[0] is None:
             print('IS NONE !')
-            raw_input()
+            input()
             continue
 
         csms, perms, algos, sep_perms = cgsm[0], cgsm[1], cgsm[2], cgsm[3]
@@ -132,7 +132,7 @@
         newalgos.append(sepplanealgo)
 
     # Write update geometry file ?
-    test = raw_input('Save it ? ("y" to confirm)')
+    test = input('Save it ? ("y" to confirm)')
     if test == 'y':
         cg._algorithms = newalgos
         cg_dict = cg.as_dict()

dev_scripts/chemenv/get_plane_permutations_optimized.py

@@ -176,7 +176,7 @@ def random_permutations_iterator(initial_permutation, npermutations):
                   '{:d} explicit permutations'.format(eop,
                                                       len(algo.explicit_permutations)))
             if algo.other_plane_points is None:
-                raw_input('Multiplicity and other plane points is not defined for this algorithm !')
+                input('Multiplicity and other plane points is not defined for this algorithm !')
 
             # Setup of safe permutations
             permutations = algo.safe_separation_permutations(ordered_plane=algo.ordered_plane,
@@ -341,7 +341,7 @@ def random_permutations_iterator(initial_permutation, npermutations):
                     mincsm = min(csms)
                     if not mincsm < 1.0:
                         print('Following is not close enough to 0.0 ...')
-                        raw_input(csms)
+                        input(csms)
                     mincsm_indices = []
                     for icsm, csm in enumerate(csms):
                         if np.isclose(mincsm, csm, rtol=0.0):

dev_scripts/chemenv/test_algos.py

@@ -31,7 +31,7 @@
     allcg = AllCoordinationGeometries()
 
     while True:
-        cg_symbol = raw_input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
+        cg_symbol = input('Enter symbol of the geometry for which you want to get the explicit permutations : ')
         try:
             cg = allcg[cg_symbol]
             break
@@ -45,7 +45,7 @@
 
     myindices = range(cg.coordination_number)
 
-    test = raw_input('Enter if you want to test all possible permutations ("all" or "a") or a given number of random permutations (i.e. "25")')
+    test = input('Enter if you want to test all possible permutations ("all" or "a") or a given number of random permutations (i.e. "25")')
 
     if test == 'all' or test == 'a':
         perms_iterator = itertools.permutations(myindices)
@@ -87,7 +87,7 @@
 
             if not np.isclose(min(results[0]), 0.0):
                 print('Following is not 0.0 ...')
-                raw_input(results)
+                input(results)
         print('   => ', algos_results)
         iperm += 1
     t2 = time.clock()

dev_scripts/chemenv/test_algos_all_geoms.py

@@ -29,7 +29,7 @@
 
     allcg = AllCoordinationGeometries()
 
-    test = raw_input('Standard ("s", all permutations for cn <= 6, 500 random permutations for cn > 6) or on demand')
+    test = input('Standard ("s", all permutations for cn <= 6, 500 random permutations for cn > 6) or on demand')
     if test == 's':
         perms_def = 'standard'
     elif test == 'o':
@@ -53,7 +53,7 @@
         elif perms_def == 'ndefined':
             test = nperms
         else:
-            test = raw_input('Enter if you want to test all possible permutations ("all" or "a") or a given number of random permutations (i.e. "25")')
+            test = input('Enter if you want to test all possible permutations ("all" or "a") or a given number of random permutations (i.e. "25")')
         myindices = range(coordination)
 
         if test == 'all' or test == 'a':
@@ -119,6 +119,6 @@
 
                     if not min(results[0]) < 1.5:
                         print('Following is not close to 0.0 ...')
-                        raw_input(results)
+                        input(results)
                 print('   => ', algos_results)
                 iperm += 1