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