Changeset c8165c for tests

Timestamp:

May 8, 2017, 2:01:48 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

db0833

Parents:

73faf4 (diff), c1446cd (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'Docu_Python_wait' into Candidate_v1.6.1

Conflicts:

tests/Python/AllActions/options.dat

• two options introduced at same place, both get in.

Location:

tests

Files:

• Python/AllActions/options.dat (modified) (3 diffs)
• regression/Makefile.am (modified) (1 diff)
• regression/Molecules/RotateAroundBond/post/test-195-true.pdb (added)
• regression/Molecules/RotateAroundBond/post/test-90-true.pdb (added)
• regression/Molecules/RotateAroundBond/post/test-95-false.pdb (added)
• regression/Molecules/RotateAroundBond/pre/test.pdb (added)
• regression/Molecules/RotateAroundBond/pre/test_cycle.pdb (added)
• regression/Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at (added)
• regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (modified) (2 diffs)
• regression/Molecules/testsuite-molecules.at (modified) (1 diff)
• regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at (modified) (3 diffs)

tests/Python/AllActions/options.dat

@@ -33 +33 @@
 bond-degree     "1"
 bond-file       "bond.dat"
+bondside        "1"
 bond-table      "table.dat"
 calculate-bounding-box  ""
@@ -166 +167 @@
 reset   1
 reverse "0"
+rotate-around-bond      "90."
 rotate-around-origin    "180."
 rotate-around-origin    "20."
@@ -233 +235 @@
 skiplines       "2"
 start-step      "0"
-steps-forward   "1"
-steps-backward  "0"
 steps   "5"
+step-world-time "1"
 store-grids     "0"
 store-saturated-fragment        "BondFragment"

tests/regression/Makefile.am

@@ -140 +140 @@
         $(srcdir)/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at \
         $(srcdir)/Molecules/Remove/testsuite-molecules-remove.at \
+        $(srcdir)/Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at \
         $(srcdir)/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at \
         $(srcdir)/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at \

tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at

@@ -49 +49 @@
 
 AT_SETUP([Molecules - Rotate to PAS with Undo])
-AT_XFAIL_IF([/bin/true])
 AT_KEYWORDS([molecules rotate-to-principal-axis-system undo])
 
@@ -80 +79 @@
 
 AT_SETUP([Molecules - Rotate to PAS with Redo])
-AT_XFAIL_IF([/bin/true])
 AT_KEYWORDS([molecules rotate-to-principal-axis-system redo])
 

tests/regression/Molecules/testsuite-molecules.at

@@ -60 +60 @@
 m4_include([Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at])
 
+# rotate around one of its bond
+m4_include([Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at])
+
 # Rotate around origin
 m4_include([Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at])

tests/regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at

@@ -21 +21 @@
 AT_KEYWORDS([worldtime step-world-time set-world-time])
 
-AT_CHECK([../../molecuilder --step-world-time --steps-forward 1], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --step-world-time 1], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now: 1" stdout], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --set-world-time 4 --step-world-time --steps-backward 2], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --set-world-time 4 --step-world-time -2], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now: 2" stdout], 0, [ignore], [ignore])
 # stepping back too far fails
-AT_CHECK([../../molecuilder --set-world-time 1 --step-world-time --steps-backward 2], 5, [stdout], [stderr])
+AT_CHECK([../../molecuilder --set-world-time 1 --step-world-time -2], 5, [stdout], [stderr])
 
 AT_CLEANUP
@@ -34 +34 @@
 AT_KEYWORDS([worldtime step-world-time set-world-time undo])
 
-AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time --steps-backward  1 --undo], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time -1 --undo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now again: 2" stdout], 0, [ignore], [ignore])
 
@@ -42 +42 @@
 AT_KEYWORDS([worldtime step-world-time set-world-time undo redo])
 
-AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time --steps-backward 1 --undo --redo], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --set-world-time 2 --step-world-time -1 --undo --redo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now: 1" stdout], 0, [ignore], [ignore])