Changeset 137845

Timestamp:

Jun 20, 2017, 8:02:18 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

9f2071

Parents:

15d21e

git-author:

Frederik Heber <heber@…> (03/23/17 03:35:32)

git-committer:

Frederik Heber <frederik.heber@…> (06/20/17 20:02:18)

Message:

StepWorldTime now has a single argument.

• this was not possible due to the problems with negative numbers being recognized as shortforms of options before.

Files:

• src/Actions/WorldAction/StepWorldTimeAction.cpp (modified) (3 diffs)
• src/Actions/WorldAction/StepWorldTimeAction.def (modified) (1 diff)
• tests/Python/AllActions/options.dat (modified) (1 diff)
• tests/regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at (modified) (3 diffs)

src/Actions/WorldAction/StepWorldTimeAction.cpp

@@ -47 +47 @@
 using namespace MoleCuilder;
 
-// if both are given, we use backwards
-static int getSteps(const unsigned int _forward, const unsigned int _backward)
-{
-  int steps = 0;
-  if (_backward > 0)
-    steps = -_backward;
-  else
-    steps = _forward;
-
-  return steps;
-}
-
 // and construct the stuff
 #include "StepWorldTimeAction.def"
@@ -69 +57 @@
   WorldStepWorldTimeState *UndoState = new WorldStepWorldTimeState(oldtime, params);
 
-  const int steps = getSteps(params.steps_forward.get(), params.steps_backward.get());
-
-  if ((oldtime + steps) < 0) {
+  if ((oldtime + params.steps.get()) < 0) {
     ELOG(1, "Cannot step back before time step #0.");
     delete UndoState;
     return Action::failure;
   }
-  World::getInstance().setTime(oldtime+steps);
+  World::getInstance().setTime(oldtime+params.steps.get());
   LOG(0, "Current time step is now: " << WorldTime::getTime() << ".");
   return ActionState::ptr(UndoState);
@@ -93 +79 @@
   WorldStepWorldTimeState *state = assert_cast<WorldStepWorldTimeState*>(_state.get());
 
-  const int steps = getSteps(
-      state->params.steps_forward.get(),
-      state->params.steps_backward.get());
-
-  World::getInstance().setTime(state->oldtime+steps);
+  World::getInstance().setTime(state->oldtime+state->params.steps.get());
   LOG(0, "Current time step is now: " << WorldTime::getTime() << ".");
 

src/Actions/WorldAction/StepWorldTimeAction.def

@@ -14 +14 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
-#define paramtypes (unsigned int)(unsigned int)
-#define paramtokens ("steps-forward")("steps-backward")
-#define paramdescriptions ("how many steps to take forward or backward")("how many steps to take forward or backward")
-#define paramdefaults (PARAM_DEFAULT(1))(PARAM_DEFAULT(0))
-#define paramreferences (steps_forward)(steps_backward)
+#define paramtypes (int)
+#define paramtokens ("step-world-time")
+#define paramdescriptions ("how many steps to take forward (positive) or backward (negative)")
+#define paramdefaults (PARAM_DEFAULT(1))
+#define paramreferences (steps)
 #define paramvalids \
-(DummyValidator< unsigned int >()) \
-(DummyValidator< unsigned int >())
+(DummyValidator< int >())
 
 #define statetypes (unsigned int)

tests/Python/AllActions/options.dat

@@ -228 +228 @@
 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/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])