Changeset b0060a for tests/regression/Options/Session/pre/complexwait.py
- Timestamp:
- Apr 23, 2021, 8:31:24 PM (5 years ago)
- Branches:
- Candidate_v1.7.0, stable
- Children:
- 3f5b0a
- Parents:
- ba49d8
- git-author:
- Frederik Heber <frederik.heber@…> (08/03/20 21:55:45)
- git-committer:
- Frederik Heber <frederik.heber@…> (04/23/21 20:31:24)
- File:
-
- 1 edited
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tests/regression/Options/Session/pre/complexwait.py
rba49d8 rb0060a 1 from __future__ import print_function 2 from builtins import str 3 1 4 import pyMoleCuilder 2 5 # ========================== Stored Session BEGIN ========================== 3 6 i=1 4 print "wait1 begin"7 print("wait1 begin") 5 8 pyMoleCuilder.wait() 6 9 i=2 7 print "wait1 end"10 print("wait1 end") 8 11 pyMoleCuilder.CommandVerbose(str(i)) 9 12 pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo") 10 print "wait2 begin"13 print("wait2 begin") 11 14 pyMoleCuilder.wait() 12 15 i=i+1 13 print "wait2 end"16 print("wait2 end") 14 17 pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;") 15 18 pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20") 16 19 pyMoleCuilder.AtomAdd("1", "1,1,1") 17 20 pyMoleCuilder.SelectionAtomById("0 0") 18 print "wait3 begin"21 print("wait3 begin") 19 22 pyMoleCuilder.wait() 20 23 i=i+1 21 print "wait3 end"24 print("wait3 end") 22 25 pyMoleCuilder.GraphSubgraphDissection() 23 26 pyMoleCuilder.SelectionMoleculeOfAtom() 24 27 pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0") 25 28 pyMoleCuilder.CommandVersion() 26 print "wait4 begin"29 print("wait4 begin") 27 30 pyMoleCuilder.wait() 28 31 i=i+1 29 print "wait4 end"32 print("wait4 end") 30 33 # =========================== Stored Session END ===========================
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