Candidate_v1.7.0
stable
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Last change
on this file since fc38cb was b0060a, checked in by Frederik Heber <frederik.heber@…>, 5 years ago |
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Making test code python2&3 compatible.
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-
Property mode
set to
100644
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File size:
984 bytes
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| [b0060a] | 1 | from __future__ import print_function
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| 2 | from builtins import str
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| 3 |
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| [415ddd] | 4 | import pyMoleCuilder
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| 5 | # ========================== Stored Session BEGIN ==========================
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| 6 | i=1
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| [b0060a] | 7 | print("wait1 begin")
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| [415ddd] | 8 | pyMoleCuilder.wait()
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| 9 | i=2
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| [b0060a] | 10 | print("wait1 end")
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| [415ddd] | 11 | pyMoleCuilder.CommandVerbose(str(i))
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| 12 | pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo")
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| [b0060a] | 13 | print("wait2 begin")
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| [415ddd] | 14 | pyMoleCuilder.wait()
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| 15 | i=i+1
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| [b0060a] | 16 | print("wait2 end")
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| [415ddd] | 17 | pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
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| 18 | pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20")
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| 19 | pyMoleCuilder.AtomAdd("1", "1,1,1")
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| 20 | pyMoleCuilder.SelectionAtomById("0 0")
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| [b0060a] | 21 | print("wait3 begin")
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| [415ddd] | 22 | pyMoleCuilder.wait()
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| 23 | i=i+1
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| [b0060a] | 24 | print("wait3 end")
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| [415ddd] | 25 | pyMoleCuilder.GraphSubgraphDissection()
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| 26 | pyMoleCuilder.SelectionMoleculeOfAtom()
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| 27 | pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
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| 28 | pyMoleCuilder.CommandVersion()
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| [b0060a] | 29 | print("wait4 begin")
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| [415ddd] | 30 | pyMoleCuilder.wait()
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| 31 | i=i+1
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| [b0060a] | 32 | print("wait4 end")
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| [415ddd] | 33 | # =========================== Stored Session END ===========================
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