Commit: a134fe015697b1a82ae1fc360e75f0bd8cdae57d - myprojects-hg-reborn (hg)

Commit MetaInfo

• Revisão: a134fe015697b1a82ae1fc360e75f0bd8cdae57d (tree)
• Hora: 2008-04-03 02:00:08
• Autor: iselllo
• Commiter: iselllo

Mensagem de Log

I modified fold_positions.py which now, besides folding the clusters,
shifts them in the middle of the new box.

Mudança Sumário

• modified: Python-codes/fold_positions.py

Diff

diff -r 1e98ec4aa186 -r a134fe015697 Python-codes/fold_positions.py
--- a/Python-codes/fold_positions.py	Wed Apr 02 16:58:53 2008 +0000
+++ b/Python-codes/fold_positions.py	Wed Apr 02 17:00:08 2008 +0000
@@ -7,7 +7,7 @@
 
 
 
-size_cluster=50
+size_cluster=5
 density=0.03
 
 box_size=(size_cluster/density)**(1./3.)  #here the box size does not depend on the total particle number
@@ -21,4 +21,64 @@
 
 p.save("initial_state_folded", pos_arr)
 
+#Now I want to relocate each cluster in such a way that all the clusters (NOT just the centre of mass
+# of the system) is relocated at the centre of the new computational box I will use
+
+new_box_size=200.
+
+centre=new_box_size/2. #this is , along x,y, and z, the centre of the new computational box I am using
+
+dim=s.shape(pos_arr)
+
+n_clus=dim[0]/size_cluster
+
+print "the number of clusters is, ", n_clus
+
+ini_pos_clusters=s.zeros((n_clus,3)) #this will contain the positions (in 3D!!!) of the centre of masses of all the clusters
+print "pos_arr folded is, ",pos_arr
+
+print "the shape of pos_arr is, ", s.shape(pos_arr)
+
+for i in xrange(n_clus):
+    print "i is, ", i
+    ini_pos_clusters[i,0]=pos_arr[(i*size_cluster):((i+1)*size_cluster),0].mean()
+    ini_pos_clusters[i,1]=pos_arr[(i*size_cluster):((i+1)*size_cluster),1].mean()
+    ini_pos_clusters[i,2]=pos_arr[(i*size_cluster):((i+1)*size_cluster),2].mean()
+
+
+print "the initial positions of the clusters are, ", ini_pos_clusters
+
+#Now I compute the shifts for every cluster
+
+shift_vec=centre-ini_pos_clusters
+
+print "the shift_vec is, ", shift_vec
+
+#Now I actually perform the shift
+
+for i in xrange(n_clus):
+    print "i is, ", i
+    pos_arr[(i*size_cluster):((i+1)*size_cluster),0]=pos_arr[(i*size_cluster):((i+1)*size_cluster),0]\
+                                                      +shift_vec[i,0]
+    pos_arr[(i*size_cluster):((i+1)*size_cluster),1]=pos_arr[(i*size_cluster):((i+1)*size_cluster),1]\
+                                                      +shift_vec[i,1]
+
+    pos_arr[(i*size_cluster):((i+1)*size_cluster),2]=pos_arr[(i*size_cluster):((i+1)*size_cluster),2]\
+                                                      +shift_vec[i,2]
+
+#Now a test to make sure everything is OK
+
+p.save("initial_state_folded_and_shifted", pos_arr)
+
+
+for i in xrange(n_clus):
+    print "i is, ", i
+    ini_pos_clusters[i,0]=pos_arr[(i*size_cluster):((i+1)*size_cluster),0].mean()
+    ini_pos_clusters[i,1]=pos_arr[(i*size_cluster):((i+1)*size_cluster),1].mean()
+    ini_pos_clusters[i,2]=pos_arr[(i*size_cluster):((i+1)*size_cluster),2].mean()
+
+
+print "the shifted positions of the clusters are, ", ini_pos_clusters
+
+
 print "So far so good"