More python3ing

Now passes tests for py2 and py3

CijUtil.py

@@ -12,6 +12,7 @@
 Copyright (c) 2010 Andrew Walker. All rights reserved.
 
 """
+from __future__ import print_function
 
 import numpy as np
 
@@ -84,9 +85,9 @@ def CijStability(Cij):
     if (np.amin(eigenvalues) > 0.0):
         stable = True
     else:
-        print "Crystal not stable to small strains"
-        print "(Cij not positive definite)"
-        print "Eigenvalues: " + str(eigenvalues)
+        print("Crystal not stable to small strains")
+        print("(Cij not positive definite)")
+        print("Eigenvalues: " + str(eigenvalues))
 
     return stable
 
@@ -120,11 +121,11 @@ def invertCij(Cij, eCij):
     # Assuming we have a rank 2 square array
     # of the same size for input array. 
     if (np.ndim(Cij) != 2):
-        raise ValueError, "Matrix must be rank 2"
+        raise ValueError("Matrix must be rank 2")
     if (np.shape(Cij)[0] != np.shape(Cij)[1]):
-        raise ValueError, "Matrix must be square"
+        raise ValueError("Matrix must be square")
     if (np.shape(Cij) != np.shape(eCij)):
-        raise ValueError, "Matrix and error matrix must have same rank and shape"
+        raise ValueError("Matrix and error matrix must have same rank and shape")
 
     # Calculate the inverse using numpy
     Sij = np.linalg.inv(Cij)
@@ -290,12 +291,12 @@ def youngsmod(Cij, eCij=np.zeros((6,6))):
     import sys
     inFile = file(sys.argv[1], 'r')
     Cij_in = np.loadtxt(inFile)
-    print "Input matrix:"
-    print  np.array2string(Cij_in,max_line_width=130,suppress_small=True)
+    print("Input matrix:")
+    print (np.array2string(Cij_in,max_line_width=130,suppress_small=True))
     (voigtB, reussB, voigtG, reussG, hillB, hillG, 
                        dum, dum, dum, dum, dum, dum) = polyCij(Cij_in)
     format = "%16s : %11.5f %11.5f %11.5f"
-    print "\n                      Voigt       Reuss       Hill"
-    print format % ("Bulk Modulus", voigtB, reussB, hillB)
-    print format % ("Shear Modulus", voigtG, reussG, hillG)
+    print("\n                      Voigt       Reuss       Hill")
+    print(format % ("Bulk Modulus", voigtB, reussB, hillB))
+    print(format % ("Shear Modulus", voigtG, reussG, hillG))
 

elastics.py

@@ -158,7 +158,7 @@ class PotM_Options:
     cijdat = open(seedname+".cijdat","r")
     print("\nReading strain data from ", seedname+".cijdat\n")
 
-    numStrainPatterns = (len(cijdat.readlines())-2)/4 #total for all strain patterns
+    numStrainPatterns = (len(cijdat.readlines())-2)//4 #total for all strain patterns
 
     #rewind
     cijdat.seek(0)
@@ -198,7 +198,7 @@ class PotM_Options:
     finalCijs = S.zeros((21,1))
     errors = S.zeros((21,1))
 
-    for patt in range(numStrainPatterns/numsteps):
+    for patt in range(numStrainPatterns//numsteps):
 
         print("\nAnalysing pattern", patt+1, ":")
 
@@ -246,7 +246,7 @@ def __fit(index1, index2):
 
             (vmajor,vminor,vmicro) = re.split('\.',S.__version__)
 
-            if ( vmajor > 0 or vminor >= 7):
+            if ( int(vmajor) > 0 or int(vminor) >= 7):
                 error = stderr
             else:
                 # correct for scipy weirdness - see http://www.scipy.org/scipy/scipy/ticket/8