Class SBMStructuralModelConformation#

ClassList > SBMStructuralModelConformation

This class describes a structural conformation. More...

#include <SBMStructuralModelConformation.hpp>

Inherits the following classes: SBDDataGraphNode

Public Types inherited from SBDDataGraphNode#

Type	Name
enum	RenderingPass The rendering pass.
enum	Type The type of the data graph node.

Public Functions#

Type	Name
	SBMStructuralModelConformation () Constructs a structural model conformation.
	SBMStructuralModelConformation (const std::string & name, const SBNodeIndexer & nodeIndexer, SBVector< SBPosition3 > * positionData=0, const SBQuantity::energy & energy=SBQuantity::energy::zero, const SBQuantity::time & time=SBQuantity::time::zero, SBVector< SBVelocity3 > * velocityData=0, SBVector< SBForce3 > * forceData=0) Constructs a structural model conformation with name `name` from the nodes in`nodeIndexer` .
	SB_DECLARE_DATA (SBMStructuralModelConformation)
bool	addAtom (SBAtom * atom, const SBPosition3 & atomPosition) Adds a `atom` with position`atomPosition` .
virtual SBMStructuralModelConformation *	clone () override Returns a copy of the node and its descendants.
virtual void	createStructuralModels (SBNodeIndexer & structuralModelIndexer) const Create structural models corresponding to all steps.
virtual void	forEachNodeDepthFirst (void()(SBDDataGraphNode* node) action) override Performs action* `action` on each node of this document.
virtual void	forEachNodeDepthFirst (SBCClass * object, void(SBCClass::)(SBDDataGraphNode* node) action) override Performs action* `action` of object`object` on each node of this document.
SBPointerIndexer< SBAtom > const *	getAtomIndexer () const Returns the indexer of atoms for which a position is saved.
virtual SBQuantity::energy	getEnergy () const Returns the energy data.
virtual bool	getForce (unsigned int atomIndex, SBForce3 & force) const Retrieves the force of atom `atomIndex` and stores it in`force` .
virtual bool	getForce (SBAtom * atom, SBForce3 & force) const Retrieves the force of atom `atom` and stores it in`force` .
virtual SBVector< SBForce3 > *	getForceData () const Returns the force data.
SBMStructuralModelConformation *	getNextConformation () const Returns the next conformation in the document.
virtual void	getNodes (SBNodeIndexer & nodeIndexer, SBNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate & visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) override const 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) override const Collects nodes into `nodeIndexer` , based on a`selectionPredicate` and a`visitPredicate` , with or without dependencies.
unsigned int	getNumberOfAtoms () const Returns the number of atoms for which a position is saved.
bool	getPosition (unsigned int atomIndex, SBPosition3 & atomPosition) const Retrieves the position of atom `atomIndex` and stores it in`atomPosition` .
bool	getPosition (SBAtom * atom, SBPosition3 & atomPosition) const Retrieves the position of atom `atom` and stores it in`atomPosition` .
virtual SBVector< SBPosition3 > *	getPositionData () const Returns the position data.
SBMStructuralModelConformation *	getPreviousConformation () const Returns the previous conformation in the document.
virtual SBQuantity::time	getTime () const Returns the time data.
virtual SBNode::Type	getType () override const Returns the data graph node type.
virtual bool	getVelocity (unsigned int atomIndex, SBVelocity3 & velocity) const Retrieves the velocity of atom `atomIndex` and stores it in`velocity` .
virtual bool	getVelocity (SBAtom * atom, SBVelocity3 & velocity) const Retrieves the velocity of atom `atom` and stores it in`velocity` .
virtual SBVector< SBVelocity3 > *	getVelocityData () const Returns the velocity data.
virtual bool	hasNode (SBNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate & visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) override const 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) override const Checks for nodes based on a `selectionPredicate` and a`visitPredicate` , with or without dependencies.
bool	insertAtom (unsigned int atomIndex, SBAtom * atom, const SBPosition3 & atomPosition) Inserts a `atom` with position`atomPosition` at index`atomIndex` .
virtual bool	isSerializable () override const Returns true.
virtual void	print (unsigned int offset=0) override const Prints the conformation.
bool	removeAtom (SBAtom * atom) Removes an atom from the conformation.
void	restore () const Restores the conformation.
virtual void	serialize (SBCSerializer * serializer, const SBNodeIndexer & nodeIndexer, const SBVersionNumber & sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber & classVersionNumber=SBVersionNumber(1, 0, 0)) override const Serializes the conformation.
virtual void	setEnergy (const SBQuantity::energy & energy) Sets the energy data.
virtual bool	setForce (unsigned int atomIndex, const SBForce3 & force) Sets the force of atom `atomIndex` to`force` .
virtual bool	setForce (SBAtom * atom, const SBForce3 & force) Sets the force of atom `atom` to`force` .
virtual void	setForceData (SBVector< SBForce3 > * forceData) Sets the force data.
bool	setPosition (unsigned int atomIndex, const SBPosition3 & atomPosition) Sets the position of atom `atomIndex` and stores it in`atomPosition` .
bool	setPosition (SBAtom * atom, const SBPosition3 & atomPosition) Sets the position of atom `atom` and stores it in`atomPosition` .
virtual void	setPositionData (SBVector< SBPosition3 > * positionData) Sets the position data.
virtual void	setTime (const SBQuantity::time & time) Sets the time data.
virtual bool	setVelocity (unsigned int atomIndex, const SBVelocity3 & velocity) Sets the velocity of atom `atomIndex` to`velocity` .
virtual bool	setVelocity (SBAtom * atom, const SBVelocity3 & velocity) Sets the velocity of atom `atom` to`velocity` .
virtual void	setVelocityData (SBVector< SBVelocity3 > * velocityData) Sets the velocity data.
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 conformation.
virtual	~SBMStructuralModelConformation () Destructs the conformation.

Public Functions inherited from SBDDataGraphNode#

See SBDDataGraphNode

Type	Name
	SB_DECLARE_DATA (SBDDataGraphNode)
virtual bool	addChild (SBDDataGraphNode * node, SBDDataGraphNode * nextNode=nullptr) Adds a child to the node.
bool	addMaterial (SBDDataGraphNodeMaterial * material) Adds a material.
bool	baseSignalIsConnectedToSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBBaseEvent* ) functionPointer) const Returns true when the base signal is connected to a slot.*
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.
bool	canAddMaterial () const Returns whether can add a material to the node based on its type.
virtual bool	canHaveDescendantType (SBDDataGraphNode::Type nodeType) const Returns whether this node can have a node with type `nodeType` as a descendant.
virtual SBDDataGraphNode *	clone () Returns a copy of the node and its descendants.
void	connectBaseSignalToSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBBaseEvent* ) functionPointer, SBCReferenceTarget* * nextReferenceTarget=0, void(SBCReferenceTarget::)(SBBaseEvent* ) nextFunctionPointer=0) Connects the base signal to 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.
void	create () Creates the node.
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.
void	disconnectBaseSignalFromSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBBaseEvent* ) functionPointer) Disconnects the base signal from a slot.*
virtual void	display (RenderingPass renderingPass) Displays the node.
virtual void	display () Displays the node (deprecated)
virtual void	displayForSelection () Displays the node for selection purposes (deprecated)
virtual void	displayForShadow () Displays the node for shadowing purposes (deprecated)
void	erase () Erases the node.
virtual void	forEachNodeDepthFirst (void()(SBDDataGraphNode* node) action) Performs an action on each node.*
virtual void	forEachNodeDepthFirst (SBCClass * object, void(SBCClass::)(SBDDataGraphNode* node) action) Performs an action on each node.*
virtual unsigned int	getDefaultOpacity () const Returns the default opacity.
virtual unsigned int	getDefaultTransparency () const Returns the default transparency.
SBDDocument *	getDocument () const Returns the document the node belongs to.
virtual unsigned int	getFlags () const Returns the flags.
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.
bool	getHighlightingFlag () const Returns the highlighting flag.
virtual unsigned int	getInheritedFlags () const Returns the inherited flags.
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.
virtual bool	getLockedFlag () const Returns the locked flag.
SBDDataGraphNodeMaterial *	getMaterial () const Returns the material.
SBDDataGraphNode *	getMaterialOwner () const Returns the node whose material is inherited.
virtual unsigned int	getMaximumOpacity () const Returns the maximum opacity.
virtual unsigned int	getMaximumTransparency () const Returns the maximum transparency.
virtual unsigned int	getMinimumOpacity () const Returns the minimum opacity.
virtual unsigned int	getMinimumTransparency () const Returns the minimum transparency.
virtual SBQuantity::mass	getMolecularWeight () Returns the molecular weight.
virtual std::string const &	getName () const Returns the name of the node.
SBDDataGraphNode *	getNextNode () const Returns the pointer to the next 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.
unsigned int	getNodeIndex () const Returns the node index (unique in the whole data graph, but non-persistent)
SBUUID	getNodeUUID () const Returns the node UUID.
virtual void	getNodes (SBNodeIndexer & nodeIndexer, SBDDataGraphNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate & visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const 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 Collects nodes into `nodeIndexer` , based on a`selectionPredicate` and a`visitPredicate` , with or without dependencies.
virtual unsigned int	getNumberOfAtoms () Returns the number of atoms.
virtual unsigned int	getNumberOfCarbons () Returns the number of carbons.
virtual unsigned int	getNumberOfChains () Returns the number of chains.
virtual unsigned int	getNumberOfCoarseGrainedAtoms () Returns the number of coarse-grained atoms.
virtual unsigned int	getNumberOfHydrogens () Returns the number of hydrogens.
virtual unsigned int	getNumberOfMolecules () Returns the number of molecules.
virtual unsigned int	getNumberOfNitrogens () Returns the number of nitrogens.
virtual unsigned int	getNumberOfOtherAtoms () Returns the number of other atoms.
virtual unsigned int	getNumberOfOxygens () Returns the number of oxygens.
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	getNumberOfSulfurs () Returns the number of sulfurs.
virtual unsigned int	getOpacity () const Returns the opacity.
virtual unsigned int	getOpacitySingleStep () const Returns the opacity single step.
virtual std::string	getOpacitySuffix () const Returns the opacity suffix.
SBDDataGraphNode *	getParent () const Returns the parent of the node.
SBDDataGraphNode *	getPreviousNode () const Returns the pointer to the previous node 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.
SBDDataGraphNode *	getRoot () const Returns the root of the hierarchy the node belongs to.
bool	getSelected () const Returns whether the node is selected.
bool	getSelectionFlag () const Returns the selection flag.
virtual int	getSumOfFormalCharges () Returns the sum of formal charges.
virtual float	getSumOfPartialCharges () Returns the sum of partial charges.
SBDDataGraphNode *	getThisNode () const Returns the pointer to this node.
virtual unsigned int	getTransparency () const Returns the transparency.
virtual unsigned int	getTransparencySingleStep () const Returns the transparency single step.
virtual std::string	getTransparencySuffix () const Returns the transparency suffix.
virtual Type	getType () const Returns the type of the data graph node.
std::string	getTypeString (bool humanReadable=false) const Returns a string describing the type of the data graph node.
bool	getVisibilityFlag () const Returns the visibility flag.
bool	getVisible () const Returns whether the node is visible.
bool	hasMaterial () const Returns whether the node has a material (by itself, or inherited)
virtual bool	hasNode (SBDDataGraphNode::Type nodeType, bool selectedNodesOnly=false, const SBNodePredicate & visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const Returns whether the node has 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 Returns whether the node has nodes based on a `selectionPredicate` and a`visitPredicate` , with or without dependencies.
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.
virtual bool	hasOpacityRange () const Returns whether the node has the opacity range.
virtual bool	hasTransparencyRange () const Returns whether the node has the transparency range.
bool	isAtom () const Returns true when the node is an atom.
bool	isBallAndStick () const Returns true when the node is the default ball-and-stick visual model.
bool	isBond () const Returns true when the node is a bond.
bool	isCartoon () const Returns true when the node is the default cartoon visual model.
bool	isCreated () const Returns true if and only if the node is created.
bool	isDynamicalModel () const Returns true when the node is a dynamical model.
bool	isErased () const Returns true if and only if the node is erased.
bool	isGaussianSurface () const Returns true when the node is the default Gaussian surface visual model.
bool	isHighlighted () const Returns whether the node is highlighted.
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	isInteractionModel () const Returns true when the node is a interaction model.
bool	isLicorice () const Returns true when the node is the default licorice visual model.
bool	isLight () const Returns true when the node is a light.
virtual bool	isLocked () const Returns whether the node is locked.
bool	isMesh () const Returns true when the node is a mesh.
bool	isModel () const Returns true when the node is a model.
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` .
bool	isPropertyModel () const Returns true when the node is a property model.
bool	isRibbon () const Returns true when the node is the default ribbon visual model.
bool	isSelected () const Returns whether the node is selected.
virtual bool	isSerializable () const Returns true when the class is serializable.
bool	isSimulator () const Returns true when the node is a simulator.
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.
bool	isStructuralModel () const Returns true when the node is a structural model.
bool	isStructuralNode () const Returns true when the node is a structural node.
bool	isTube () const Returns true when the node is the default tube visual model.
bool	isType (Type type) const Returns true when the type of the node corresponds to `type` .
bool	isVanDerWaals () const Returns true when the node is the default van der Waals visual model.
bool	isVisible () const Returns whether the node is visible.
bool	isVisualModel () const Returns true when the node is a visual model.
bool	ownsMaterial () const Returns whether the node owns a material.
virtual void	print (unsigned int offset=0) const Prints some debugging information.
virtual bool	removeChild (SBDDataGraphNode * node) Removes a child from the node.
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.
virtual void	serialize (SBCSerializer * serializer, const SBNodeIndexer & nodeIndexer, const SBVersionNumber & sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber & classVersionNumber=SBVersionNumber(1, 0, 0)) const Serializes the node.
void	setHighlightingFlag (bool flag) Sets the highlighting flag.
virtual void	setLockedFlag (bool flag) Sets the locked flag.
virtual void	setName (const std::string & name) Sets the name of the node.
virtual void	setOpacity (unsigned int opacity) Sets the opacity.
void	setSelectionFlag (bool flag) Sets the selection flag.
virtual void	setTransparency (unsigned int transparency) Sets the transparency.
void	setVisibilityFlag (bool flag) Sets the visibility flag.
virtual void	unserialize (SBCSerializer * serializer, const SBNodeIndexer & nodeIndexer, const SBVersionNumber & sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber & classVersionNumber=SBVersionNumber(1, 0, 0)) Unserializes the node.

Public Functions inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
	SBCReferenceTarget ()
unsigned int	getMemoryFootprint () const
void	printReferencesToOwners () const
virtual	~SBCReferenceTarget ()

Public Static Functions inherited from SBDDataGraphNode#

See SBDDataGraphNode

Type	Name
bool	canAddMaterial (SBDDataGraphNode::Type nodeType) Returns whether can add a material to a node of type `nodeType` .
void	clone (const SBNodeIndexer & sourceNodeIndexer, SBNodeIndexer & destinationNodeIndexer) Clones the nodes in `sourceNodeIndexer` (treated as a whole) and places the clones in`destinationNodeIndexer` .
void	forEachNodeInSelection (SBNodeIndexer & nodeIndexer, void()(SBDDataGraphNode* node) action) Performs an action for each node in a selection.*
void	forEachNodeInSelection (SBNodeIndexer & nodeIndexer, SBCClass * object, void(SBCClass::)(SBDDataGraphNode* node) action) Performs an action for each node in a selection.*
SBDDataGraphNode *	getNode (unsigned int nodeIndex) Returns the unique node corresponding to the node index `nodeIndex` .
std::string	getTypeString (Type type, bool humanReadable=false) Returns a string describing the type of the data graph node.

Protected Attributes inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
SBCReferenceTargetData *	dataPointer

Protected Functions inherited from SBDDataGraphNode#

See SBDDataGraphNode

Type	Name
	SBDDataGraphNode () Builds a data graph node.
	SBDDataGraphNode (SBDDataGraphNodeData * dataPointer) Builds a data graph node.
virtual	~SBDDataGraphNode () Destroys the node.

Protected Functions inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
	SBCReferenceTarget (SBCReferenceTargetData * dataPointer)
void	removeAllReferenceOwners ()

Detailed Description#

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

Short name: SBConformation

See also: SBDDocument

Public Functions Documentation#

function SBMStructuralModelConformation [1/2]#

Constructs a structural model conformation.

SBMStructuralModelConformation::SBMStructuralModelConformation ()

function SBMStructuralModelConformation [2/2]#

Constructs a structural model conformation with name name from the nodes innodeIndexer .

SBMStructuralModelConformation::SBMStructuralModelConformation (
    const std::string & name,
    const SBNodeIndexer & nodeIndexer,
    SBVector< SBPosition3 > * positionData=0,
    const SBQuantity::energy & energy=SBQuantity::energy::zero,
    const SBQuantity::time & time=SBQuantity::time::zero,
    SBVector< SBVelocity3 > * velocityData=0,
    SBVector< SBForce3 > * forceData=0
)

function SB_DECLARE_DATA#

SBMStructuralModelConformation::SB_DECLARE_DATA (
    SBMStructuralModelConformation
)

function addAtom#

Adds a atom with positionatomPosition .

bool SBMStructuralModelConformation::addAtom (
    SBAtom * atom,
    const SBPosition3 & atomPosition
)

function clone#

Returns a copy of the node and its descendants.

virtual SBMStructuralModelConformation * SBMStructuralModelConformation::clone () override

Implements SBDDataGraphNode::clone

function createStructuralModels#

Create structural models corresponding to all steps.

virtual void SBMStructuralModelConformation::createStructuralModels (
    SBNodeIndexer & structuralModelIndexer
) const

function forEachNodeDepthFirst [1/2]#

Performs action action on each node of this document.

virtual void SBMStructuralModelConformation::forEachNodeDepthFirst (
    void(*)( SBDDataGraphNode *node) action
) override

Implements SBDDataGraphNode::forEachNodeDepthFirst

function forEachNodeDepthFirst [2/2]#

Performs action action of objectobject on each node of this document.

virtual void SBMStructuralModelConformation::forEachNodeDepthFirst (
    SBCClass * object,
    void(SBCClass::*)( SBDDataGraphNode *node) action
) override

Implements SBDDataGraphNode::forEachNodeDepthFirst

function getAtomIndexer#

Returns the indexer of atoms for which a position is saved.

SBPointerIndexer< SBAtom > const * SBMStructuralModelConformation::getAtomIndexer () const

function getEnergy#

Returns the energy data.

virtual SBQuantity::energy SBMStructuralModelConformation::getEnergy () const

function getForce [1/2]#

Retrieves the force of atom atomIndex and stores it inforce .

virtual bool SBMStructuralModelConformation::getForce (
    unsigned int atomIndex,
    SBForce3 & force
) const

function getForce [2/2]#

Retrieves the force of atom atom and stores it inforce .

virtual bool SBMStructuralModelConformation::getForce (
    SBAtom * atom,
    SBForce3 & force
) const

function getForceData#

Returns the force data.

virtual SBVector< SBForce3 > * SBMStructuralModelConformation::getForceData () const

function getNextConformation#

Returns the next conformation in the document.

SBMStructuralModelConformation * SBMStructuralModelConformation::getNextConformation () const

function getNodes [1/2]#

Collects nodes into nodeIndexer , based on anodeType , a selection status and avisitPredicate , with or without dependencies.

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

Implements SBDDataGraphNode::getNodes

function getNodes [2/2]#

Collects nodes into nodeIndexer , based on aselectionPredicate and avisitPredicate , with or without dependencies.

virtual void SBMStructuralModelConformation::getNodes (
    SBNodeIndexer & nodeIndexer,
    const SBNodePredicate & selectionPredicate=SBDDataGraphNode::All (),
    const SBNodePredicate & visitPredicate=SBDDataGraphNode::All (),
    bool includeDependencies=false
) override const

Implements SBDDataGraphNode::getNodes

function getNumberOfAtoms#

Returns the number of atoms for which a position is saved.

unsigned int SBMStructuralModelConformation::getNumberOfAtoms () const

function getPosition [1/2]#

Retrieves the position of atom atomIndex and stores it inatomPosition .

bool SBMStructuralModelConformation::getPosition (
    unsigned int atomIndex,
    SBPosition3 & atomPosition
) const

function getPosition [2/2]#

Retrieves the position of atom atom and stores it inatomPosition .

bool SBMStructuralModelConformation::getPosition (
    SBAtom * atom,
    SBPosition3 & atomPosition
) const

function getPositionData#

Returns the position data.

virtual SBVector< SBPosition3 > * SBMStructuralModelConformation::getPositionData () const

function getPreviousConformation#

Returns the previous conformation in the document.

SBMStructuralModelConformation * SBMStructuralModelConformation::getPreviousConformation () const

function getTime#

Returns the time data.

virtual SBQuantity::time SBMStructuralModelConformation::getTime () const

function getType#

Returns the data graph node type.

virtual SBNode::Type SBMStructuralModelConformation::getType () override const

Implements SBDDataGraphNode::getType

function getVelocity [1/2]#

Retrieves the velocity of atom atomIndex and stores it invelocity .

virtual bool SBMStructuralModelConformation::getVelocity (
    unsigned int atomIndex,
    SBVelocity3 & velocity
) const

function getVelocity [2/2]#

Retrieves the velocity of atom atom and stores it invelocity .

virtual bool SBMStructuralModelConformation::getVelocity (
    SBAtom * atom,
    SBVelocity3 & velocity
) const

function getVelocityData#

Returns the velocity data.

virtual SBVector< SBVelocity3 > * SBMStructuralModelConformation::getVelocityData () const

function hasNode [1/2]#

Checks for nodes based on a nodeType , a selection status and avisitPredicate , with or without dependencies.

virtual bool SBMStructuralModelConformation::hasNode (
    SBNode::Type nodeType,
    bool selectedNodesOnly=false,
    const SBNodePredicate & visitPredicate=SBDDataGraphNode::All (),
    bool includeDependencies=false
) override const

Implements SBDDataGraphNode::hasNode

function hasNode [2/2]#

Checks for nodes based on a selectionPredicate and avisitPredicate , with or without dependencies.

virtual bool SBMStructuralModelConformation::hasNode (
    const SBNodePredicate & selectionPredicate=SBDDataGraphNode::All (),
    const SBNodePredicate & visitPredicate=SBDDataGraphNode::All (),
    bool includeDependencies=false
) override const

Implements SBDDataGraphNode::hasNode

function insertAtom#

Inserts a atom with positionatomPosition at indexatomIndex .

bool SBMStructuralModelConformation::insertAtom (
    unsigned int atomIndex,
    SBAtom * atom,
    const SBPosition3 & atomPosition
)

function isSerializable#

Returns true.

virtual bool SBMStructuralModelConformation::isSerializable () override const

Implements SBDDataGraphNode::isSerializable

function print#

Prints the conformation.

virtual void SBMStructuralModelConformation::print (
    unsigned int offset=0
) override const

Implements SBDDataGraphNode::print

function removeAtom#

Removes an atom from the conformation.

bool SBMStructuralModelConformation::removeAtom (
    SBAtom * atom
)

function restore#

Restores the conformation.

void SBMStructuralModelConformation::restore () const

function serialize#

Serializes the conformation.

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

Implements SBDDataGraphNode::serialize

function setEnergy#

Sets the energy data.

virtual void SBMStructuralModelConformation::setEnergy (
    const SBQuantity::energy & energy
)

function setForce [1/2]#

Sets the force of atom atomIndex toforce .

virtual bool SBMStructuralModelConformation::setForce (
    unsigned int atomIndex,
    const SBForce3 & force
)

function setForce [2/2]#

Sets the force of atom atom toforce .

virtual bool SBMStructuralModelConformation::setForce (
    SBAtom * atom,
    const SBForce3 & force
)

function setForceData#

Sets the force data.

virtual void SBMStructuralModelConformation::setForceData (
    SBVector< SBForce3 > * forceData
)

function setPosition [1/2]#

Sets the position of atom atomIndex and stores it inatomPosition .

bool SBMStructuralModelConformation::setPosition (
    unsigned int atomIndex,
    const SBPosition3 & atomPosition
)

function setPosition [2/2]#

Sets the position of atom atom and stores it inatomPosition .

bool SBMStructuralModelConformation::setPosition (
    SBAtom * atom,
    const SBPosition3 & atomPosition
)

function setPositionData#

Sets the position data.

virtual void SBMStructuralModelConformation::setPositionData (
    SBVector< SBPosition3 > * positionData
)

function setTime#

Sets the time data.

virtual void SBMStructuralModelConformation::setTime (
    const SBQuantity::time & time
)

function setVelocity [1/2]#

Sets the velocity of atom atomIndex tovelocity .

virtual bool SBMStructuralModelConformation::setVelocity (
    unsigned int atomIndex,
    const SBVelocity3 & velocity
)

function setVelocity [2/2]#

Sets the velocity of atom atom tovelocity .

virtual bool SBMStructuralModelConformation::setVelocity (
    SBAtom * atom,
    const SBVelocity3 & velocity
)

function setVelocityData#

Sets the velocity data.

virtual void SBMStructuralModelConformation::setVelocityData (
    SBVector< SBVelocity3 > * velocityData
)

function unserialize#

Unserializes the conformation.

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

Implements SBDDataGraphNode::unserialize

function ~SBMStructuralModelConformation#

Destructs the conformation.

virtual SBMStructuralModelConformation::~SBMStructuralModelConformation ()