Committer: ckloss <ckloss@fluid38.(none)>

On branch master
 Initial commit for lpp, version 2011-10-11

examples/test_dump.py

@@ -0,0 +1,54 @@
+# simple test of dump tool
+# requires files/dump.peptide and files/dump.peptide.*
+# creates tmp.* files
+
+d = dump("files/dump.peptide")
+
+d.tselect.none()
+d.tselect.one(2000)
+d.tselect.all()
+d.tselect.skip(2)
+d.tselect.all()
+d.tselect.test("$t >= 4000 and $t <= 6000")
+d.delete()
+
+d.aselect.all()
+d.aselect.test("$id <= 10")
+
+d.write("tmp.dump")
+d.scatter("tmp")
+
+d = dump("files/dump.peptide")
+d.scale()
+d.unscale()
+d.unwrap()
+d.wrap()
+d.set("$xyz = $x + $y + $z")
+d.spread("x",100,"color")
+d.clone(0,"color")
+
+print "Time",d.time()
+color = d.atom(1,"color")
+print "Color of atom 1",color
+d.aselect.test("$id <= 10")
+color = d.vecs(1000,"color")
+print "Color of 1st 10 atoms in step 1000",color
+
+d.atype = "color"
+
+flag = 0
+while 1:
+  index,time,flag = d.iterator(flag)
+  if flag == -1: break
+  time,box,atoms,bonds,tris,lines = d.viz(index)
+  colors = [atom[1] for atom in atoms]
+  print time,colors
+
+d = dump("files/dump.peptide.*",0)
+while 1:
+  time = d.next()
+  if time < 0: break
+
+print "Incrementally read snaps =",d.nsnaps
+
+print "all done ... type CTRL-D to exit Pizza.py"