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