Candidate_v1.7.0
stable
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Last change
on this file since e9f307 was a93896, checked in by Frederik Heber <frederik.heber@…>, 2 months ago |
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Ignores pyMoleCuilder import in python script.
- TEST: LoadSession now uses an AS alias for the import.
- TESTFIX: load session with complex waits does not look for
the wait texts but rather for output from the actions in the
script.
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-
Property mode
set to
100644
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File size:
851 bytes
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| 1 | from __future__ import print_function
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| 2 | from builtins import str
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| 3 |
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| 4 | import pyMoleCuilder as mol
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| 5 | # ========================== Stored Session BEGIN ==========================
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| 6 | i=1
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| 7 | print("wait1 begin")
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| 8 | mol.wait()
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| 9 | i=2
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| 10 | print("wait1 end")
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| 11 | mol.CommandVerbose(str(i))
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| 12 | mol.ParserSetOutputFormats("mpqc tremolo")
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| 13 | print("wait2 begin")
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| 14 | mol.wait()
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| 15 | i=i+1
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| 16 | print("wait2 end")
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| 17 | mol.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
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| 18 | mol.WorldChangeBox("20,0,0,20,0,20")
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| 19 | mol.AtomAdd("1", "1,1,1")
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| 20 | mol.SelectionAtomById("0 0")
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| 21 | print("wait3 begin")
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| 22 | mol.wait()
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| 23 | i=i+1
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| 24 | print("wait3 end")
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| 25 | mol.GraphSubgraphDissection()
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| 26 | mol.SelectionMoleculeOfAtom()
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| 27 | mol.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
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| 28 | mol.CommandVersion()
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| 29 | print("wait4 begin")
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| 30 | mol.wait()
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| 31 | i=i+1
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| 32 | print("wait4 end")
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| 33 | # =========================== Stored Session END ===========================
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