Changeset a93896 for tests/regression/Options/Session/pre/complexwait.py

Timestamp:

Aug 30, 2025, 2:41:40 PM (8 weeks ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

454d7a

Parents:

9928ece

git-author:

Frederik Heber <frederik.heber@…> (08/14/25 14:36:30)

git-committer:

Frederik Heber <frederik.heber@…> (08/30/25 14:41:40)

Message:

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.

File:

• tests/regression/Options/Session/pre/complexwait.py (modified) (1 diff)

tests/regression/Options/Session/pre/complexwait.py

@@ -2 +2 @@
 from builtins import str
 
-import pyMoleCuilder
+import pyMoleCuilder as mol
 # ========================== Stored Session BEGIN ==========================
 i=1
 print("wait1 begin")
-pyMoleCuilder.wait()
+mol.wait()
 i=2
 print("wait1 end")
-pyMoleCuilder.CommandVerbose(str(i))
-pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo")
+mol.CommandVerbose(str(i))
+mol.ParserSetOutputFormats("mpqc tremolo")
 print("wait2 begin")
-pyMoleCuilder.wait()
+mol.wait()
 i=i+1
 print("wait2 end")
-pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
-pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20")
-pyMoleCuilder.AtomAdd("1", "1,1,1")
-pyMoleCuilder.SelectionAtomById("0 0")
+mol.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
+mol.WorldChangeBox("20,0,0,20,0,20")
+mol.AtomAdd("1", "1,1,1")
+mol.SelectionAtomById("0 0")
 print("wait3 begin")
-pyMoleCuilder.wait()
+mol.wait()
 i=i+1
 print("wait3 end")
-pyMoleCuilder.GraphSubgraphDissection()
-pyMoleCuilder.SelectionMoleculeOfAtom()
-pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
-pyMoleCuilder.CommandVersion()
+mol.GraphSubgraphDissection()
+mol.SelectionMoleculeOfAtom()
+mol.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
+mol.CommandVersion()
 print("wait4 begin")
-pyMoleCuilder.wait()
+mol.wait()
 i=i+1
 print("wait4 end")