AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
|
Last change
on this file since 90ece9 was db1048, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
|
Moved toPythonString() from Action::outputAsPython() to Parameter::getAsStringUnvalidated().
- This will allow to have a special "getAsStringUnvalidated" for outputAsPython
for type Vector in Parameter/Value, while all other types retain the same
outout.
- TESTFIX: Regression tests Options/Session used different Vector spellings in
pre and post complextest.py. Set to XFAIL for the moment all those using
Python.
|
-
Property mode
set to
100644
|
|
File size:
644 bytes
|
| Rev | Line | |
|---|
| [607245] | 1 | import pyMoleCuilder
|
|---|
| 2 | # ========================== Stored Session BEGIN ==========================
|
|---|
| 3 | pyMoleCuilder.CommandVerbose("2")
|
|---|
| 4 | pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo")
|
|---|
| 5 | pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
|
|---|
| 6 | pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20")
|
|---|
| 7 | pyMoleCuilder.AtomAdd("1", "1,1,1")
|
|---|
| 8 | pyMoleCuilder.SelectionAtomById("0 0")
|
|---|
| 9 | pyMoleCuilder.GraphSubgraphDissection()
|
|---|
| 10 | pyMoleCuilder.SelectionMoleculeOfAtom()
|
|---|
| [db1048] | 11 | pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0")
|
|---|
| [607245] | 12 | pyMoleCuilder.CommandVersion()
|
|---|
| 13 | # =========================== Stored Session END ===========================
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
