Merge pull request #11 from fabiocfabini/master

preprocessing.py parallelized

python/preprocessing.py

@@ -18,12 +18,16 @@
 """
 __version__ = "v0.3"
 
+from multiprocessing import Pool
+from itertools import product
+
 import os
 import sys
 import time
 import xml.etree.ElementTree as ET
 import numpy as np
 
+
 import contatempo
 import dft
 from headerfooter import header, footer
@@ -32,6 +36,9 @@
 
 # pylint: disable=C0103
 ###################################################################################
+def compute_rpoints(l, k, i):
+    return A1 * i / NR1 + A2 * k / NR2 + A3 * l / NR3
+
 if __name__ == "__main__":
     header("PREPROCESSING", __version__, time.asctime())
 
@@ -336,15 +343,17 @@
     # Final calculations #########################################
     print()
 
-    COUNT = 0
-    RPOINT = np.zeros((NR, 3), dtype=float)
-    for l in range(NR3):
-        for k in range(NR2):
-            for i in range(NR1):
-                RPOINT[COUNT] = A1 * i / NR1 + A2 * k / NR2 + A3 * l / NR3
-                COUNT += 1
+    params = {
+        "NR3": range(NR3),
+        "NR2": range(NR2),
+        "NR1": range(NR1),
+    }
+
+
+    with Pool(processes=NPR) as pool:
+        RPOINT = np.array(pool.starmap(compute_rpoints, product(*params.values())))
 
-    PHASE = np.exp(1j * np.dot(RPOINT, np.transpose(KPOINTS)))
+    PHASE = np.exp(1j * np.dot(RPOINT, KPOINTS.T))
 
     # Start saving data to files ##################################
     with open("phase.npy", "wb") as fich: