Changes in src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp [b8463f:833b15]

File:

• src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) (3 diffs)

src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp

@@ -62 +62 @@
   }
 
-  // check whether Axis is valid
-  if (params.Axis.get().IsZero()) {
-    STATUS("Rotation Axis must not be zero.");
-    return Action::failure;
-  }
-
-  // convert from degrees to radian
-  const double angle_radian = params.angle.get() * M_PI/180.;
-
   // go through all selected molecules
   BOOST_FOREACH(molecule *mol, selectedMolecules) {
+    // check whether Axis is valid
+    if (params.Axis.get().IsZero()) {
+      STATUS("Rotation Axis must not be zero.");
+      return Action::failure;
+    }
+
+    // convert from degrees to radian
+    params.angle.set(params.angle.get() * M_PI/180.);
+
     // Creation Line that is the rotation axis
     const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
-    LOG(3, "DEBUG: Center of gravity is " << CenterOfGravity << ".");
+    LOG(0,  "Center of gravity is " << CenterOfGravity << ".");
     Line RotationAxis(CenterOfGravity, params.Axis.get());
-    LOG(2, "DEBUG: Rotate " << mol->getName() << " around self by " << angle_radian << " radian around axis " << RotationAxis << ".");
+    LOG(0, "Rotate " << mol->getName() << " around self by " << params.angle.get() << " radian around axis " << RotationAxis << ".");
 
     for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
-      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), angle_radian));
+      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), params.angle.get()));
     }
-    LOG(2, "DEBUG: Rotatating of " << mol->getName() << " done.");
+    LOG(0, "done.");
   }
 
@@ -91 +91 @@
   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
 
-  // convert from degrees to radian
-  const double angle_radian = -state->params.angle.get() * M_PI/180.;
-
   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
     const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
     LOG(0,  "Center of gravity is " <<CenterOfGravity << ".");
     Line RotationAxis(CenterOfGravity, state->params.Axis.get());
-    LOG(0, "Rotate " << mol->getName() << " around self by " << angle_radian << " radian around axis " << RotationAxis << ".");
+    LOG(0, "Rotate " << mol->getName() << " around self by " << -state->params.angle.get() << " radian around axis " << RotationAxis << ".");
 
-    for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter)
-      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), angle_radian));
+    for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
+      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), -state->params.angle.get()));
+    }
   }
 
@@ -110 +108 @@
   MoleculeRotateAroundSelfByAngleState *state = assert_cast<MoleculeRotateAroundSelfByAngleState*>(_state.get());
 
-  // convert from degrees to radian
-  const double angle_radian = state->params.angle.get() * M_PI/180.;
-
   BOOST_FOREACH(molecule *mol, state->selectedMolecules) {
     const Vector CenterOfGravity = mol->DetermineCenterOfGravity();
     LOG(0,  "Center of gravity is " << CenterOfGravity << ".");
     Line RotationAxis(CenterOfGravity, state->params.Axis.get());
-    LOG(0, "Rotate " << mol->getName() << " around self by " << angle_radian << " radian around axis " << RotationAxis << ".");
+    LOG(0, "Rotate " << mol->getName() << " around self by " << state->params.angle.get() << " radian around axis " << RotationAxis << ".");
 
-    for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter)
-      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), angle_radian));
+    for (molecule::iterator iter = mol->begin(); iter != mol->end(); ++iter) {
+      (*iter)->setPosition(RotationAxis.rotateVector((*iter)->getPosition(), state->params.angle.get()));
+    }
   }