This class describes a structural path. More...

Public Types
enum class	AnimationType { Once , Loop , Bounce }
	Animation type. More...

Public Types inherited from SBDDataGraphNode
enum	Type { Undefined , StructuralModel , StructuralModelNode , StructuralModelConformation , Conformation , StructuralModelPath , Path , StructuralModelNodeGroup , StructuralGroup , StructuralModelNodeRoot , Root , StructuralModelNodeAtom , Atom , StructuralModelNodeBond , Bond , StructuralModelNodeHydrogenBond , HydrogenBond , StructuralModelNodeHydrogenBondGroup , HydrogenBondGroup , StructuralModelNodeResidue , Residue , StructuralModelNodeSegment , Segment , StructuralModelNodeChain , Chain , StructuralModelNodeMolecule , Molecule , StructuralModelNodeBackbone , Backbone , StructuralModelNodeSideChain , SideChain , VisualModel , VisualModelMesh , Mesh , DynamicalModel , DynamicalModelParticleSystem , ParticleSystem , DynamicalModelRigidBodySystem , RigidBodySystem , DynamicalModelArticulatedBodySystem , ArticulatedBodySystem , DynamicalModelNode , DynamicalNode , DynamicalModelNodeGroup , DynamicalGroup , DynamicalModelNodeRoot , DynamicalRoot , DynamicalModelNodeParticle , Particle , DynamicalModelNodeRigidBody , RigidBody , DynamicalModelNodeArticulatedBody , ArticulatedBody , InteractionModel , InteractionModelParticleSystem , InteractionModelRigidBodySystem , InteractionModelArticulatedBodySystem , PropertyModel , PropertyModelFunction , Simulator , SimulatorParticleSystem , SimulatorRigidBodySystem , SimulatorArticulatedBodySystem , StateUpdater , StateUpdaterParticleSystem , StateUpdaterRigidBodySystem , StateUpdaterArticulatedBodySystem , Animation , Camera , Document , DocumentManager , File , Folder , Label , Light , Note , Presentation , RenderPreset , DataGraphNodeGroup , NodeGroup , Controller , ControllerNode , Asset }
	The type of the data graph node. More...

enum class	RenderingPass { Setup , OpaqueGeometry , SelectableGeometry , ShadowingGeometry , TransparentGeometry , Interface , Text }
	The rendering pass. More...

Constructors and destructors
	SBMStructuralModelPath ()
	Constructs a path.

	SBMStructuralModelPath (const std::string &name, const SBNodeIndexer &nodeIndexer)
	Constructs a path with name `name` from the conformations in `nodeIndexer`.

	SBMStructuralModelPath (const std::string &name, const SBNodeIndexer &nodeIndexer, SBVector< SBVector< SBPosition3 > * > positionData, SBVector< SBQuantity::energy > energyData=0, SBVector< SBQuantity::time > timeData=0, SBVector< SBVector< SBVelocity3 > > velocityData=0, SBVector< SBVector< SBForce3 > > *forceData=0)
	Constructs a path with name `name` from the atoms in `nodeIndexer`.

virtual	~SBMStructuralModelPath ()
	Destructs the path.

Serialization
virtual bool	isSerializable () const override
	Returns true.

virtual void	serialize (SBCSerializer *serializer, const SBNodeIndexer &nodeIndexer, const SBVersionNumber &sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber &classVersionNumber=SBVersionNumber(1, 0, 0)) const override
	Serializes the path.

virtual void	unserialize (SBCSerializer *serializer, const SBNodeIndexer &nodeIndexer, const SBVersionNumber &sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber &classVersionNumber=SBVersionNumber(1, 0, 0)) override
	Unserializes the path.

Topology
virtual SBMStructuralModelPath *	clone () override
	Returns a copy of the node and its descendants.

Identity
virtual SBNode::Type	getType () const override
	Returns the data graph node type.

SBMStructuralModelPath *	getNextPath () const
	Returns the next path in the document.

SBMStructuralModelPath *	getPreviousPath () const
	Returns the previous path in the document.

Selection
virtual void	getNodes (SBNodeIndexer &nodeIndexer, SBNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const override
	Collects nodes into `nodeIndexer`, based on a `nodeType`, a selection status and a `visitPredicate`, with or without dependencies.

virtual void	getNodes (SBNodeIndexer &nodeIndexer, const SBNodePredicate &selectionPredicate=SBDDataGraphNode::All(), const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const override
	Collects nodes into `nodeIndexer`, based on a `selectionPredicate` and a `visitPredicate`, with or without dependencies.

virtual bool	hasNode (SBNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const override
	Checks for nodes based on a `nodeType`, a selection status and a `visitPredicate`, with or without dependencies.

virtual bool	hasNode (const SBNodePredicate &selectionPredicate=SBDDataGraphNode::All(), const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const override
	Checks for nodes based on a `selectionPredicate` and a `visitPredicate`, with or without dependencies.

Visitor
virtual void	forEachNodeDepthFirst (void(action)(SBDDataGraphNode node)) override
	Performs action `action` on each node of this document.

virtual void	forEachNodeDepthFirst (SBCClass object, void(SBCClass::action)(SBDDataGraphNode *node)) override
	Performs action `action` of object `object` on each node of this document.

Indexer
virtual SBPointerIndexer< SBAtom > const *	getAtomIndexer () const
	Returns the atoms for which a position is saved.

virtual unsigned int	getNumberOfAtoms () const
	Returns the number of atoms for which a position is saved.

bool	addAtom (SBAtom atom, SBVector< SBPosition3 > atomPositionVector=0, SBVector< SBVelocity3 > atomVelocityVector=0, SBVector< SBForce3 > atomForceVector=0)
	Adds an `atom` to the path.

bool	insertAtom (unsigned int atomIndex, SBAtom atom, SBVector< SBPosition3 > atomPositionVector=0, SBVector< SBVelocity3 > atomVelocityVector=0, SBVector< SBForce3 > atomForceVector=0)
	Inserts an `atom` at index `atomIndex` to the path.

bool	removeAtom (SBAtom *atom)
	Removes an atom from the path.

Path management
virtual unsigned int	getNumberOfSteps () const
	Returns the number of steps in the path.

virtual bool	add (SBConformation *conformation)
	Adds a frame to the path.

virtual bool	add (SBMStructuralModelPath *path)
	Adds frames to the path.

virtual bool	add (SBVector< SBPosition3 > positionData, const SBQuantity::energy &energy=SBQuantity::energy::zero, const SBQuantity::time &time=SBQuantity::time::zero, SBVector< SBVelocity3 > velocityData=0, SBVector< SBForce3 > *forceData=0)
	Adds a frame to the path.

virtual bool	add (SBVector< SBVector< SBPosition3 > * > positionData, SBVector< SBQuantity::energy > energyData=0, SBVector< SBQuantity::time > timeData=0, SBVector< SBVector< SBVelocity3 > > velocityData=0, SBVector< SBVector< SBForce3 > > *forceData=0)
	Adds frames to the path.

virtual bool	insert (unsigned int step, SBConformation *conformation)
	Inserts a frame in the path at position `step`.

virtual bool	insert (unsigned int step, SBMStructuralModelPath *path)
	Inserts frames in the path at position `step`.

virtual bool	insert (unsigned int step, SBVector< SBPosition3 > positionData, const SBQuantity::energy &energy=SBQuantity::energy::zero, const SBQuantity::time &time=SBQuantity::time::zero, SBVector< SBVelocity3 > velocityData=0, SBVector< SBForce3 > *forceData=0)
	Inserts a frame in the path at position `step`.

virtual bool	insert (unsigned int step, SBVector< SBVector< SBPosition3 > * > positionData, SBVector< SBQuantity::energy > energyData=0, SBVector< SBQuantity::time > timeData=0, SBVector< SBVector< SBVelocity3 > > velocityData=0, SBVector< SBVector< SBForce3 > > *forceData=0)
	Inserts frames in the path at position `step`.

virtual SBConformation *	remove (unsigned int step)
	Remove a frame from the path to create a conformation.

virtual SBMStructuralModelPath *	remove (unsigned int firstStep, unsigned int lastStep)
	Removes frames from the path to create a new path.

virtual SBMStructuralModelPath *	copy (unsigned int firstStep, unsigned int lastStep)
	Copies frames from the path to create a new path.

Smoothing
virtual unsigned int	getSmoothingWindowSize () const
	Returns the size of the smoothing window.

virtual void	setSmoothingWindowSize (unsigned int smoothingWindowSize)
	Sets the size of the smoothing window.

Positions
virtual SBVector< SBVector< SBPosition3 > * > *	getPositionData () const
	Returns the position data.

virtual void	setPositionData (SBVector< SBVector< SBPosition3 > * > *positionData)
	Sets the position data.

virtual bool	getPosition (unsigned int step, unsigned int atomIndex, SBPosition3 &position) const
	Retrieves the position of atom `atomIndex` and stores it in `position` for a specific `step`.

virtual bool	getPosition (unsigned int step, SBAtom *atom, SBPosition3 &position) const
	Retrieves the position of atom `atom` and stores it in `position` for a specific `step`.

virtual bool	setPosition (unsigned int step, unsigned int atomIndex, const SBPosition3 &position)
	Sets the position of atom `atomIndex` to `position` for a specific `step`.

virtual bool	setPosition (unsigned int step, SBAtom *atom, const SBPosition3 &position)
	Sets the position of atom `atom` to `position` for a specific `step`.

Energy
virtual SBVector< SBQuantity::energy > *	getEnergyData () const
	Returns the energy data.

virtual void	setEnergyData (SBVector< SBQuantity::energy > *energyData)
	Sets the energy data.

virtual bool	getEnergy (unsigned int step, SBQuantity::energy &energy) const
	Retrieves the energy for a specific `step`.

virtual bool	setEnergy (unsigned int step, const SBQuantity::energy &energy)
	Sets the energy for a specific `step`.

Time
virtual SBVector< SBQuantity::time > *	getTimeData () const
	Returns the time data.

virtual void	setTimeData (SBVector< SBQuantity::time > *timeData)
	Sets the time data.

virtual bool	getTime (unsigned int step, SBQuantity::time &time) const
	Retrieves the time for a specific `step`.

virtual bool	setTime (unsigned int step, const SBQuantity::time &time)
	Sets the time for a specific `step`.

Velocities
virtual SBVector< SBVector< SBVelocity3 > * > *	getVelocityData () const
	Returns the velocity data.

virtual void	setVelocityData (SBVector< SBVector< SBVelocity3 > * > *velocityData)
	Sets the velocity data.

virtual bool	getVelocity (unsigned int step, unsigned int atomIndex, SBVelocity3 &velocity) const
	Retrieves the velocity of atom `atomIndex` and stores it in `velocity` for a specific `step`.

virtual bool	getVelocity (unsigned int step, SBAtom *atom, SBVelocity3 &velocity) const
	Retrieves the velocity of atom `atom` and stores it in `velocity` for a specific `step`.

virtual bool	setVelocity (unsigned int step, unsigned int atomIndex, const SBVelocity3 &velocity)
	Sets the velocity of atom `atomIndex` to `velocity` for a specific `step`.

virtual bool	setVelocity (unsigned int step, SBAtom *atom, const SBVelocity3 &velocity)
	Sets the velocity of atom `atom` to `velocity` for a specific `step`.

Forces
virtual SBVector< SBVector< SBForce3 > * > *	getForceData () const
	Returns the force data.

virtual void	setForceData (SBVector< SBVector< SBForce3 > * > *forceData)
	Sets the force data.

virtual bool	getForce (unsigned int step, unsigned int atomIndex, SBForce3 &force) const
	Retrieves the force of atom `atomIndex` and stores it in `force` for a specific `step`.

virtual bool	getForce (unsigned int step, SBAtom *atom, SBForce3 &force) const
	Retrieves the force of atom `atom` and stores it in `force` for a specific `step`.

virtual bool	setForce (unsigned int step, unsigned int atomIndex, const SBForce3 &force)
	Sets the force of atom `atomIndex` to `force` for a specific `step`.

virtual bool	setForce (unsigned int step, SBAtom *atom, const SBForce3 &force)
	Sets the force of atom `atom` to `force` for a specific `step`.

Conformations
virtual void	createConformation (unsigned int step, SBNodeIndexer &conformationIndexer) const
	Create a conformation corresponding to a specific `step`.

virtual void	createConformations (SBNodeIndexer &conformationIndexer) const
	Create conformations corresponding to all steps.

Structural models
virtual void	createStructuralModels (unsigned int step, SBNodeIndexer &structuralModelIndexer) const
	Create structural models corresponding to a specific `step`.

virtual void	createStructuralModels (SBNodeIndexer &structuralModelIndexer) const
	Create structural models corresponding to all steps.

Animation
virtual unsigned int	getCurrentStep () const
	Returns the current step along the path.

virtual void	setCurrentStep (unsigned int currentStep)
	Sets the current step along the path.

virtual unsigned int	getStride () const
	Returns the animation stride.

virtual void	setStride (unsigned int stride)
	Sets the animation stride.

virtual bool	getAnimationFlag () const
	Returns the animation flag.

virtual void	setAnimationFlag (bool animationFlag)
	Sets the animation flag.

virtual AnimationType	getAnimationType () const
	Returns the animation type.

virtual void	setAnimationType (AnimationType animationType)
	Sets the animation type.

virtual SBQuantity::second const &	getStepDuration () const
	Returns the step duration.

virtual void	setStepDuration (const SBQuantity::second &stepDuration)
	Sets the step duration.

virtual bool	getForwardFlag () const
	Returns the forward flag, which indicates when the animation is moving forward.

virtual void	setForwardFlag (bool forwardFlag)
	Sets the forward flag, which indicates when the animation is moving forward.

virtual void	updateState ()
	Updates the state along the path according to the animation parameters.

Current
virtual SBQuantity::energy	getCurrentEnergy () const
	Returns the current energy.

virtual SBQuantity::time	getCurrentTime () const
	Returns the current time.

Debugging
virtual void	print (unsigned int offset=0) const override
	Prints the path.

	SB_DECLARE_DATA (SBMStructuralModelPath)

Additional Inherited Members
Public Member Functions inherited from SBDDataGraphNode
SBDDataGraphNode *	getParent () const
	Returns the parent of the node.

SBDDataGraphNode *	getThisNode () const
	Returns the pointer to this node.

SBDDataGraphNode *	getNextNode () const
	Returns the pointer to the next node in the children of the node's parent.

SBDDataGraphNode *	getPreviousNode () const
	Returns the pointer to the previous node in the children of the node's parent.

SBDDataGraphNode *	getNextNode (SBDDataGraphNode::Type nodeType) const
	Returns the pointer to the next node with type `nodeType` in the children of the node's parent.

SBDDataGraphNode *	getPreviousNode (SBDDataGraphNode::Type nodeType) const
	Returns the pointer to the previous node with type `nodeType` in the children of the node's parent.

SBDDocument *	getDocument () const
	Returns the document the node belongs to.

virtual bool	canAddChild (const SBDDataGraphNode node, const SBDDataGraphNode nextNode=nullptr) const
	Returns whether this node can add `node` as a child.

virtual bool	canAddChildType (SBDDataGraphNode::Type nodeType) const
	Returns whether this node can add a node with type `nodeType` as a child.

virtual bool	canHaveDescendantType (SBDDataGraphNode::Type nodeType) const
	Returns whether this node can have a node with type `nodeType` as a descendant.

virtual bool	addChild (SBDDataGraphNode node, SBDDataGraphNode nextNode=nullptr)
	Adds a child to the node.

virtual bool	removeChild (SBDDataGraphNode *node)
	Removes a child from the node.

bool	hasOneOf (const SBNodeIndexer &nodeIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodeIndexer`, or is the ancestor of one of them, or is a group that stores one of them.

bool	descendsFrom (const SBDDataGraphNode *node) const
	Returns true if and only if this node is `node`, or descends from it.

bool	descendsFrom (const SBNodeIndexer &nodeIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodeIndexer`, or descends from one of them.

bool	descendsFrom (SBPointerIndexer< SBDDataGraphNode > *nodePointerIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodePointerIndexer`, or descends from one of them.

bool	isIn (const SBDDataGraphNode *node) const
	Returns true if and only if this node is `node`, or descends from it, or belongs to a group stored in `node`.

bool	isIn (const SBNodeIndexer &nodeIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodeIndexer`, or descends from one of them, or belongs to a group stored in one of the nodes of the `nodeIndexer`.

bool	isIn (SBPointerIndexer< SBDDataGraphNode > *nodePointerIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodePointerIndexer`, or descends from one of them, or belongs to a group stored in of the nodes of the `nodePointerIndexer`.

bool	isOneOf (const SBNodeIndexer &nodeIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodeIndexer`.

bool	isOneOf (SBPointerIndexer< SBDDataGraphNode > *nodePointerIndexer) const
	Returns true if and only if this node is one of the nodes of the `nodePointerIndexer`.

SBDDataGraphNode *	getRoot () const
	Returns the root of the hierarchy the node belongs to.

unsigned int	getNodeIndex () const
	Returns the node index (unique in the whole data graph, but non-persistent)

std::string	getTypeString (bool humanReadable=false) const
	Returns a string describing the type of the data graph node.

virtual std::string const &	getName () const
	Returns the name of the node.

virtual void	setName (const std::string &name)
	Sets the name of the node.

bool	isType (Type type) const
	Returns true when the type of the node corresponds to `type`.

bool	isModel () const
	Returns true when the node is a model.

bool	isAtom () const
	Returns true when the node is an atom.

bool	isBond () const
	Returns true when the node is a bond.

bool	isStructuralNode () const
	Returns true when the node is a structural node.

bool	isStructuralModel () const
	Returns true when the node is a structural model.

bool	isVisualModel () const
	Returns true when the node is a visual model.

bool	isDynamicalModel () const
	Returns true when the node is a dynamical model.

bool	isInteractionModel () const
	Returns true when the node is a interaction model.

bool	isPropertyModel () const
	Returns true when the node is a property model.

bool	isMesh () const
	Returns true when the node is a mesh.

bool	isLight () const
	Returns true when the node is a light.

bool	isSimulator () const
	Returns true when the node is a simulator.

bool	isBallAndStick () const
	Returns true when the node is the default ball-and-stick visual model.

bool	isLicorice () const
	Returns true when the node is the default licorice visual model.

bool	isVanDerWaals () const
	Returns true when the node is the default van der Waals visual model.

bool	isCartoon () const
	Returns true when the node is the default cartoon visual model.

bool	isRibbon () const
	Returns true when the node is the default ribbon visual model.

bool	isTube () const
	Returns true when the node is the default tube visual model.

bool	isGaussianSurface () const
	Returns true when the node is the default Gaussian surface visual model.

bool	isSolventAccessibleSurface () const
	Returns true when the node is the default solvent accessible surface visual model.

bool	isSolventExcludedSurface () const
	Returns true when the node is the default solvent excluded surface visual model.

virtual bool	isLocked () const
	Returns whether the node is locked.

virtual bool	getLockedFlag () const
	Returns the locked flag.

virtual void	setLockedFlag (bool flag)
	Sets the locked flag.

bool	isCreated () const
	Returns true if and only if the node is created.

void	create ()
	Creates the node.

bool	isErased () const
	Returns true if and only if the node is erased.

void	erase ()
	Erases the node.

virtual unsigned int	getFlags () const
	Returns the flags.

virtual unsigned int	getInheritedFlags () const
	Returns the inherited flags.

bool	isSelected () const
	Returns whether the node is selected.

bool	getSelected () const
	Returns whether the node is selected.

bool	getSelectionFlag () const
	Returns the selection flag.

void	setSelectionFlag (bool flag)
	Sets the selection flag.

bool	isVisible () const
	Returns whether the node is visible.

bool	getVisible () const
	Returns whether the node is visible.

bool	getVisibilityFlag () const
	Returns the visibility flag.

void	setVisibilityFlag (bool flag)
	Sets the visibility flag.

bool	isHighlighted () const
	Returns whether the node is highlighted.

bool	getHighlightingFlag () const
	Returns the highlighting flag.

void	setHighlightingFlag (bool flag)
	Sets the highlighting flag.

virtual void	display (RenderingPass renderingPass)
	Displays the node.

virtual void	display ()
	Displays the node (deprecated)

virtual void	displayForShadow ()
	Displays the node for shadowing purposes (deprecated)

virtual void	displayForSelection ()
	Displays the node for selection purposes (deprecated)

virtual unsigned int	getOpacity () const
	Returns the opacity.

virtual void	setOpacity (unsigned int opacity)
	Sets the opacity.

virtual bool	hasOpacityRange () const
	Returns whether the node has the opacity range.

virtual unsigned int	getDefaultOpacity () const
	Returns the default opacity.

virtual unsigned int	getMinimumOpacity () const
	Returns the minimum opacity.

virtual unsigned int	getMaximumOpacity () const
	Returns the maximum opacity.

virtual unsigned int	getOpacitySingleStep () const
	Returns the opacity single step.

virtual std::string	getOpacitySuffix () const
	Returns the opacity suffix.

virtual unsigned int	getTransparency () const
	Returns the transparency.

virtual void	setTransparency (unsigned int transparency)
	Sets the transparency.

virtual bool	hasTransparencyRange () const
	Returns whether the node has the transparency range.

virtual unsigned int	getDefaultTransparency () const
	Returns the default transparency.

virtual unsigned int	getMinimumTransparency () const
	Returns the minimum transparency.

virtual unsigned int	getMaximumTransparency () const
	Returns the maximum transparency.

virtual unsigned int	getTransparencySingleStep () const
	Returns the transparency single step.

virtual std::string	getTransparencySuffix () const
	Returns the transparency suffix.

float	getInheritedOpacity () const
	Returns the cumulative opacity, when taking into account the ascendants.

float	getInheritedTransparency () const
	Returns the cumulative transparency, when taking into account the ascendants.

bool	canAddMaterial () const
	Returns whether can add a material to the node based on its type.

bool	addMaterial (SBDDataGraphNodeMaterial *material)
	Adds a material.

bool	removeMaterial ()
	Removes the material.

void	removeMaterialsFromDescendants ()
	Removes materials from all nodes that descend from this node, but it does not remove the material from the node itself.

bool	hasMaterial () const
	Returns whether the node has a material (by itself, or inherited)

bool	ownsMaterial () const
	Returns whether the node owns a material.

SBDDataGraphNodeMaterial *	getMaterial () const
	Returns the material.

SBDDataGraphNode *	getMaterialOwner () const
	Returns the node whose material is inherited.

void	connectBaseSignalToSlot (SBCReferenceTarget referenceTarget, void(SBCReferenceTarget::functionPointer)(SBBaseEvent ), SBCReferenceTarget nextReferenceTarget=0, void(SBCReferenceTarget::nextFunctionPointer)(SBBaseEvent )=0)
	Connects the base signal to a slot.

bool	baseSignalIsConnectedToSlot (SBCReferenceTarget referenceTarget, void(SBCReferenceTarget::functionPointer)(SBBaseEvent *)) const
	Returns true when the base signal is connected to a slot.

void	disconnectBaseSignalFromSlot (SBCReferenceTarget referenceTarget, void(SBCReferenceTarget::functionPointer)(SBBaseEvent *))
	Disconnects the base signal from a slot.

unsigned int	countNodes (SBDDataGraphNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const
	Counts nodes based on a `nodeType`, a selection status and a `visitPredicate`, with or without dependencies.

unsigned int	countNodes (const SBNodePredicate &selectionPredicate=SBDDataGraphNode::All(), const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const
	Counts nodes based on a `selectionPredicate` and a `visitPredicate`, with or without dependencies.

virtual std::string	getHierarchyString (const std::string &separator=" / ", bool includeNodeType=false) const
	Returns a string with hierarchical information on the node and its parents names.

virtual unsigned int	getNumberOfChains ()
	Returns the number of chains.

virtual unsigned int	getNumberOfMolecules ()
	Returns the number of molecules.

virtual unsigned int	getNumberOfResidues ()
	Returns the number of residues.

virtual unsigned int	getNumberOfSegments ()
	Returns the number of segments.

virtual unsigned int	getNumberOfStructuralGroups ()
	Returns the number of structural groups.

virtual unsigned int	getNumberOfStructuralModels ()
	Returns the number of structural models.

virtual unsigned int	getNumberOfAtoms ()
	Returns the number of atoms.

virtual unsigned int	getNumberOfCarbons ()
	Returns the number of carbons.

virtual unsigned int	getNumberOfHydrogens ()
	Returns the number of hydrogens.

virtual unsigned int	getNumberOfNitrogens ()
	Returns the number of nitrogens.

virtual unsigned int	getNumberOfOxygens ()
	Returns the number of oxygens.

virtual unsigned int	getNumberOfSulfurs ()
	Returns the number of sulfurs.

virtual unsigned int	getNumberOfCoarseGrainedAtoms ()
	Returns the number of coarse-grained atoms.

virtual unsigned int	getNumberOfOtherAtoms ()
	Returns the number of other atoms.

virtual int	getSumOfFormalCharges ()
	Returns the sum of formal charges.

virtual float	getSumOfPartialCharges ()
	Returns the sum of partial charges.

virtual SBQuantity::mass	getMolecularWeight ()
	Returns the molecular weight.

	SB_DECLARE_DATA (SBDDataGraphNode)

Public Member Functions inherited from SBCReferenceTarget
unsigned int	getMemoryFootprint () const

void	printReferencesToOwners () const

	SBCReferenceTarget ()

virtual	~SBCReferenceTarget ()

Static Public Member Functions inherited from SBDDataGraphNode
static void	clone (const SBNodeIndexer &sourceNodeIndexer, SBNodeIndexer &destinationNodeIndexer)
	Clones the nodes in `sourceNodeIndexer` (treated as a whole) and places the clones in `destinationNodeIndexer`.

static SBDDataGraphNode *	getNode (unsigned int nodeIndex)
	Returns the unique node corresponding to the node index `nodeIndex`.

static std::string	getTypeString (Type type, bool humanReadable=false)
	Returns a string describing the type of the data graph node.

static bool	canAddMaterial (SBDDataGraphNode::Type nodeType)
	Returns whether can add a material to a node of type `nodeType`.

static void	forEachNodeInSelection (SBNodeIndexer &nodeIndexer, void(action)(SBDDataGraphNode node))
	Performs an action for each node in a selection.

static void	forEachNodeInSelection (SBNodeIndexer &nodeIndexer, SBCClass object, void(SBCClass::action)(SBDDataGraphNode *node))
	Performs an action for each node in a selection.

Protected Member Functions inherited from SBDDataGraphNode
	SBDDataGraphNode ()
	Builds a data graph node.

	SBDDataGraphNode (SBDDataGraphNodeData *dataPointer)
	Builds a data graph node.

virtual	~SBDDataGraphNode ()
	Destroys the node.

Protected Member Functions inherited from SBCReferenceTarget
void	removeAllReferenceOwners ()

	SBCReferenceTarget (SBCReferenceTargetData *dataPointer)

Protected Attributes inherited from SBCReferenceTarget
SBCReferenceTargetData *	dataPointer

Detailed Description

This class describes a structural path, i.e. a set of positions of atoms. In SAMSON, the user may name and save a structural path. Stored paths appear in the document view, and the user may thus restore structural paths by right-clicking on them.

Short name: SBPath

See also: SBDDocument

Member Enumeration Documentation

◆ AnimationType

enum class SBMStructuralModelPath::AnimationType

strong

Enumerator
Once	Animate once.
Loop	Animate in loops.
Bounce	Animate in bouncing loops.

Member Function Documentation

◆ add() [1/4]

bool SBMStructuralModelPath::add ( SBConformation * conformation )

virtual

This function adds a step to the path by copying information from a conformation. The conformation needs to have all information that the path has. For example, if the path has velocity data, then the conformation needs to have velocity data as well. Furthermore, all atoms indexed by the path need to be indexed by the conformation as well (but the conformation may have more information than necessary). Since all information is copied, the conformation may be deleted afterwards.

The function returns true when successful.

◆ add() [2/4]

bool SBMStructuralModelPath::add ( SBMStructuralModelPath * path )

virtual

This function adds frames to the path by copying information from a path. The path needs to have all information that this path has. For example, if this path has velocity data, then the provided path needs to have velocity data as well. Furthermore, all atoms indexed by this path need to be indexed by the provided path as well (but the provided path may have more information than necessary). Since all information is copied, the provided path may be deleted afterwards.

The function returns true when successful.

◆ add() [3/4]

bool SBMStructuralModelPath::add	(	SBVector< SBPosition3 > *	positionData,
		const SBQuantity::energy &	energy = `SBQuantity::energy::zero`,
		const SBQuantity::time &	time = `SBQuantity::time::zero`,
		SBVector< SBVelocity3 > *	velocityData = `0`,
		SBVector< SBForce3 > *	forceData = `0`
	)

virtual

This function adds a step to the path. All necessary information has to be provided. For example, if the path has velocity data, then velocity data must be provided. Furthermore, the size of the provided vectors must be equal to the number of atoms indexed in the path. The passed information is copied, and may thus be deleted after the function returns.

The function returns true when successful.

◆ add() [4/4]

bool SBMStructuralModelPath::add	(	SBVector< SBVector< SBPosition3 > * > *	positionData,
		SBVector< SBQuantity::energy > *	energyData = `0`,
		SBVector< SBQuantity::time > *	timeData = `0`,
		SBVector< SBVector< SBVelocity3 > * > *	velocityData = `0`,
		SBVector< SBVector< SBForce3 > * > *	forceData = `0`
	)

virtual

This function adds steps to the path. All necessary information has to be provided. For example, if the path has velocity data, then velocity data must be provided. Furthermore, the size of the provided vectors must be equal to the number of atoms indexed in the path. The passed information is copied, and may thus be deleted after the function returns.

The function returns true when successful.

◆ addAtom()

bool SBMStructuralModelPath::addAtom	(	SBAtom *	atom,
		SBVector< SBPosition3 > *	atomPositionVector = `0`,
		SBVector< SBVelocity3 > *	atomVelocityVector = `0`,
		SBVector< SBForce3 > *	atomForceVector = `0`
	)

This function adds an atom to the path. It expects position, velocity and force data to fill the path data. For example, if the path contains one hundred steps (frames) in the position data, then the size of the position vector atomPositionVector should be one hundred, since each frame will need to have one new position inserted,
corresponding to the inserted atom. The atom is added at the end of the path indexer.

The function returns true when insertion is successful, and false otherwise.

◆ clone()

SBMStructuralModelPath * SBMStructuralModelPath::clone ( )

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ copy()

SBMStructuralModelPath * SBMStructuralModelPath::copy	(	unsigned int	firstStep,
		unsigned int	lastStep
	)

virtual

This function creates a deep copy of all the frames between (and including) steps firstStep and lastStep, and returns a path containing these frames.

◆ forEachNodeDepthFirst() [1/2]

void SBMStructuralModelPath::forEachNodeDepthFirst	(	SBCClass *	object,
		void(SBCClass::)(SBDDataGraphNode node)	action
	)

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ forEachNodeDepthFirst() [2/2]

void SBMStructuralModelPath::forEachNodeDepthFirst ( void(*)(SBDDataGraphNode *node) action )

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ getNodes() [1/2]

void SBMStructuralModelPath::getNodes	(	SBNodeIndexer &	nodeIndexer,
		const SBNodePredicate &	selectionPredicate = `SBDDataGraphNode::All()`,
		const SBNodePredicate &	visitPredicate = `SBDDataGraphNode::All()`,
		bool	includeDependencies = `false`
	)		const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ getNodes() [2/2]

void SBMStructuralModelPath::getNodes	(	SBNodeIndexer &	nodeIndexer,
		SBNode::Type	nodeType,
		bool	selectedNodesOnly = `false`,
		const SBNodePredicate &	visitPredicate = `SBDDataGraphNode::All()`,
		bool	includeDependencies = `false`
	)		const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ getType()

SBDDataGraphNode::Type SBMStructuralModelPath::getType ( ) const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ hasNode() [1/2]

bool SBMStructuralModelPath::hasNode	(	const SBNodePredicate &	selectionPredicate = `SBDDataGraphNode::All()`,
		const SBNodePredicate &	visitPredicate = `SBDDataGraphNode::All()`,
		bool	includeDependencies = `false`
	)		const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ hasNode() [2/2]

bool SBMStructuralModelPath::hasNode	(	SBNode::Type	nodeType,
		bool	selectedNodesOnly = `false`,
		const SBNodePredicate &	visitPredicate = `SBDDataGraphNode::All()`,
		bool	includeDependencies = `false`
	)		const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ insert() [1/4]

bool SBMStructuralModelPath::insert	(	unsigned int	step,
		SBConformation *	conformation
	)

virtual

This function inserts a step to the path at position step by copying information from a conformation. The conformation needs to have all information that the path has. For example, if the path has velocity data, then the conformation needs to have velocity data as well. Furthermore, all atoms indexed by the path need to be indexed by the conformation as well (but the conformation may have more information than necessary). Since all information is copied, the conformation may be deleted afterwards.

The function returns true when successful.

◆ insert() [2/4]

bool SBMStructuralModelPath::insert	(	unsigned int	step,
		SBMStructuralModelPath *	path
	)

virtual

This function inserts a deep copy of the provided path at a given step. All necessary information has to be provided. For example, if this path has velocity data, then the provided path must contain velocity data as well. Note that the provided path may have more information than necessary, and may index more atoms than necessary. In that case, only the necessary information is copied. Since all passed information is copied, the provided path may be deleted after the function returns.

The function returns true when successful.

◆ insert() [3/4]

bool SBMStructuralModelPath::insert	(	unsigned int	step,
		SBVector< SBPosition3 > *	positionData,
		const SBQuantity::energy &	energy = `SBQuantity::energy::zero`,
		const SBQuantity::time &	time = `SBQuantity::time::zero`,
		SBVector< SBVelocity3 > *	velocityData = `0`,
		SBVector< SBForce3 > *	forceData = `0`
	)

virtual

This function inserts a step to the path at position step. All necessary information has to be provided. For example, if the path has velocity data, then velocity data must be provided. Furthermore, the size of the provided vectors must be equal to the number of atoms indexed in the path. The passed information is copied, and may thus be deleted after the function returns.

The function returns true when successful.

◆ insert() [4/4]

bool SBMStructuralModelPath::insert	(	unsigned int	step,
		SBVector< SBVector< SBPosition3 > * > *	positionData,
		SBVector< SBQuantity::energy > *	energyData = `0`,
		SBVector< SBQuantity::time > *	timeData = `0`,
		SBVector< SBVector< SBVelocity3 > * > *	velocityData = `0`,
		SBVector< SBVector< SBForce3 > * > *	forceData = `0`
	)

virtual

This function inserts steps to the path at position step. All necessary information has to be provided. For example, if the path has velocity data, then velocity data must be provided. Furthermore, the size of the provided vectors must be equal to the number of atoms indexed in the path. The passed information is copied, and may thus be deleted after the function returns.

The function returns true when successful.

◆ insertAtom()

bool SBMStructuralModelPath::insertAtom	(	unsigned int	atomIndex,
		SBAtom *	atom,
		SBVector< SBPosition3 > *	atomPositionVector = `0`,
		SBVector< SBVelocity3 > *	atomVelocityVector = `0`,
		SBVector< SBForce3 > *	atomForceVector = `0`
	)

This function inserts an atom to the path. It expects position, velocity and force data to fill the path data. For example, if the path contains one hundred steps (frames) in the position data, then the size of the position vector atomPositionVector should be one hundred, since each frame will need to have one new position inserted,
corresponding to the inserted atom. The atom is inserted at position atomIndex in the path indexer.

The function returns true when insertion is successful, and false otherwise.

◆ isSerializable()

bool SBMStructuralModelPath::isSerializable ( ) const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ print()

void SBMStructuralModelPath::print ( unsigned int offset = 0 ) const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ remove()

SBMStructuralModelPath * SBMStructuralModelPath::remove	(	unsigned int	firstStep,
		unsigned int	lastStep
	)

virtual

This function creates a deep copy of all the frames between (and including) steps firstStep and lastStep, deletes the corresponding frames in this path, and returns a path containing the copied frames.

◆ serialize()

void SBMStructuralModelPath::serialize	(	SBCSerializer *	serializer,
		const SBNodeIndexer &	nodeIndexer,
		const SBVersionNumber &	sdkVersionNumber = `SB_SDK_VERSION_NUMBER`,
		const SBVersionNumber &	classVersionNumber = `SBVersionNumber(1, 0, 0)`
	)		const

overridevirtual

Reimplemented from SBDDataGraphNode.

◆ unserialize()

void SBMStructuralModelPath::unserialize	(	SBCSerializer *	serializer,
		const SBNodeIndexer &	nodeIndexer,
		const SBVersionNumber &	sdkVersionNumber = `SB_SDK_VERSION_NUMBER`,
		const SBVersionNumber &	classVersionNumber = `SBVersionNumber(1, 0, 0)`
	)

overridevirtual

Reimplemented from SBDDataGraphNode.

Public Types

Constructors and destructors

Serialization

Topology

Identity

Selection

Visitor

Indexer

Path management

Smoothing

Positions

Energy

Time

Velocities

Forces

Conformations

Structural models

Animation

Current

Debugging

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

◆ AnimationType

Member Function Documentation

◆ add() [1/4]

◆ add() [2/4]

◆ add() [3/4]

◆ add() [4/4]

◆ addAtom()

◆ clone()

◆ copy()

◆ forEachNodeDepthFirst() [1/2]

◆ forEachNodeDepthFirst() [2/2]

◆ getNodes() [1/2]

◆ getNodes() [2/2]

◆ getType()

◆ hasNode() [1/2]

◆ hasNode() [2/2]

◆ insert() [1/4]

◆ insert() [2/4]

◆ insert() [3/4]

◆ insert() [4/4]

◆ insertAtom()

◆ isSerializable()

◆ print()

◆ remove()

◆ serialize()

◆ unserialize()