Class SBMStructuralModelNodeHydrogenBondGroup#

ClassList > SBMStructuralModelNodeHydrogenBondGroup

#include <SBMStructuralModelNodeHydrogenBondGroup.hpp>

Inherits the following classes: SBMStructuralModelNodeGroup

Public Types#

Type	Name
enum	HydrogenBondSystemSetupType

Public Types inherited from SBDDataGraphNode#

See SBDDataGraphNode

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

Public Functions#

Type	Name
	SBMStructuralModelNodeHydrogenBondGroup ()
	SBMStructuralModelNodeHydrogenBondGroup (const std::string & name)
	SBMStructuralModelNodeHydrogenBondGroup (const std::string & name, const SBNodeIndexer & nodeIndexer)
	SBMStructuralModelNodeHydrogenBondGroup (const std::string & name, const SBNodeIndexer & nodeIndexer1, const SBNodeIndexer & nodeIndexer2)
	SB_DECLARE_DATA (SBMStructuralModelNodeHydrogenBondGroup)
virtual bool	addChild (SBNode * node, SBNode * nextNode=nullptr) override Adds a child to the backbone.
virtual bool	canAddChildType (SBNode::Type nodeType) override const Returns whether this node can add a node with type `nodeType` as a child.
virtual bool	canHaveDescendantType (SBNode::Type nodeType) override const Returns whether this node can have a node with type `nodeType` as a descendant.
virtual SBMStructuralModelNodeHydrogenBondGroup *	clone () override Returns a copy of the node and its descendants.
std::string	getAcceptorElementsString () const Returns a string with acceptor element types.
SBQuantity::degree	getAngleThreshold () const Returns the H-bond group's D-H-A angle threshold.
SBQuantity::degree	getAngleThresholdSingleStep () const Returns the single step of the H-bond group's D-H-A angle threshold.
std::string	getAngleThresholdSuffix () const Returns the suffix of the H-bond group's D-H-A angle threshold.
SBQuantity::degree	getDefaultAngleThreshold () const Returns the H-bond group's default D-H-A angle threshold.
SBQuantity::length	getDefaultThresholdDistanceOfModerateHBond () const Returns the H-bond group's default threshold distance for moderate H-bonds.
SBQuantity::length	getDefaultThresholdDistanceOfStrongHBond () const Returns the H-bond group's default threshold distance for strong H-bonds.
SBQuantity::length	getDefaultThresholdDistanceOfWeakHBond () const Returns the H-bond group's default threshold distance for weak H-bonds.
std::string	getDonorElementsString () const Returns a string with donor element types.
bool	getHideLeastProbableHBondsFlag () const Returns whether the least probable H-bonds should be hidden.
void	getHydrogenBondAtoms (SBNodeIndexer & nodeIndexer) Gets atoms (acceptors, donors, hydrogens) of visible hydrogen bonds.
HydrogenBondSystemSetupType	getHydrogenBondSystemSetupType () const Returns the current hydrogen bond system setup type.
SBQuantity::degree	getMaximumAngleThreshold () const Returns the H-bond group's maximum D-H-A angle threshold.
SBQuantity::length	getMaximumThresholdDistanceOfModerateHBond () const Returns the H-bond group's maximum threshold distance for moderate H-bonds.
SBQuantity::length	getMaximumThresholdDistanceOfStrongHBond () const Returns the H-bond group's maximum threshold distance for strong H-bonds.
SBQuantity::length	getMaximumThresholdDistanceOfWeakHBond () const Returns the H-bond group's maximum threshold distance for weak H-bonds.
SBQuantity::degree	getMinimumAngleThreshold () const Returns the H-bond group's minimum D-H-A angle threshold.
SBQuantity::length	getMinimumThresholdDistanceOfModerateHBond () const Returns the H-bond group's minimum threshold distance for moderate H-bonds.
SBQuantity::length	getMinimumThresholdDistanceOfStrongHBond () const Returns the H-bond group's minimum threshold distance for strong H-bonds.
SBQuantity::length	getMinimumThresholdDistanceOfWeakHBond () const Returns the H-bond group's minimum threshold distance for weak H-bonds.
int	getNumberOfVisibleHydrogenBonds () const Returns the number of visible hydrogen bonds.
bool	getShowModerateHBondsFlag () const Returns the corresponding flag value.
bool	getShowStrongHBondsFlag () const Returns the corresponding flag value.
bool	getShowWeakHBondsFlag () const Returns the corresponding flag value.
const SBPointerIndexer< SBNode > *	getSystem1 () const Returns an indexer of nodes in system 1.
const SBPointerIndexer< SBNode > *	getSystem2 () const Returns an indexer of nodes in system 2.
SBQuantity::length	getThresholdDistanceOfModerateHBond () const Returns the H-bond group's threshold distance for moderate H-bonds.
SBQuantity::length	getThresholdDistanceOfModerateHBondSingleStep () const Returns the single step of the H-bond group's threshold distance for moderate H-bonds.
std::string	getThresholdDistanceOfModerateHBondSuffix () const Returns the suffix of the H-bond group's threshold distance for moderate H-bonds.
SBQuantity::length	getThresholdDistanceOfStrongHBond () const Returns the H-bond group's threshold distance for strong H-bonds.
SBQuantity::length	getThresholdDistanceOfStrongHBondSingleStep () const Returns the single step of the H-bond group's threshold distance for strong H-bonds.
std::string	getThresholdDistanceOfStrongHBondSuffix () const Returns the suffix of the H-bond group's threshold distance for strong H-bonds.
SBQuantity::length	getThresholdDistanceOfWeakHBond () const Returns the H-bond group's threshold distance for weak H-bonds.
SBQuantity::length	getThresholdDistanceOfWeakHBondSingleStep () const Returns the single step of the H-bond group's threshold distance for weak H-bonds.
std::string	getThresholdDistanceOfWeakHBondSuffix () const Returns the suffix of the H-bond group's threshold distance for weak H-bonds.
virtual SBDDataGraphNode::Type	getType () override const Returns the node type (returns SBNode::HydrogenBondGroup )
bool	hasAngleThresholdRange () const Returns true.
bool	hasThresholdDistanceOfModerateHBondRange () const Returns true.
bool	hasThresholdDistanceOfStrongHBondRange () const Returns true.
bool	hasThresholdDistanceOfWeakHBondRange () const Returns true.
virtual bool	isSerializable () override const Returns true.
virtual bool	removeChild (SBNode * node) override Removes a child from the backbone.
void	resetDefaultParameters () Resets the H-bond group parameters to their default values.
void	selectHydrogenBondAtoms () Selects atoms (acceptors, donors, hydrogens) of visible hydrogen bonds.
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 node.
void	setAngleThreshold (const SBQuantity::degree angle) Sets the H-bond group's D-H-A angle threshold to `angle` .
void	setHideLeastProbableHBondsFlag (bool b) Sets the corresponding flag.
void	setShowModerateHBondsFlag (bool b) Sets the corresponding flag.
void	setShowStrongHBondsFlag (bool b) Sets the corresponding flag.
void	setShowWeakHBondsFlag (bool b) Sets the corresponding flag.
void	setSystem (const SBNodeIndexer & nodeIndexer) Sets a single system.
void	setSystem (const SBNodeIndexer & nodeIndexer1, const SBNodeIndexer & nodeIndexer2) Sets two systems.
void	setThresholdDistanceOfModerateHBond (SBQuantity::length distance) Sets the H-bond group's threshold distance for moderate H-bonds to `distance` .
void	setThresholdDistanceOfStrongHBond (SBQuantity::length distance) Sets the H-bond group's threshold distance for strong H-bonds to `distance` .
void	setThresholdDistanceOfWeakHBond (SBQuantity::length distance) Sets the H-bond group's threshold distance for weak H-bonds to `distance` .
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 node.
void	update () Updates the hydrogen bonds in the hydrogen bond group.
virtual	~SBMStructuralModelNodeHydrogenBondGroup ()

Public Functions inherited from SBMStructuralModelNodeGroup#

See SBMStructuralModelNodeGroup

Type	Name
	SBMStructuralModelNodeGroup () Builds a base model.
	SBMStructuralModelNodeGroup (const std::string & n)
	SB_DECLARE_DATA (SBMStructuralModelNodeGroup)
	SB_NODE_GETTER_0 (std::string, GetComment)
	SB_NODE_GETTER_0 (std::string, GetStatusBit)
	SB_NODE_GETTER_0 (int, GetStructuralID)
	SB_NODE_PREDICATE_0 (HasComment)
	SB_NODE_PREDICATE_0 (HasStatusBit)
	SB_NODE_PREDICATE_0 (HasStructuralID)
virtual bool	addChild (SBNode * node, SBNode * nextNode=nullptr) override Adds a child to the node.
virtual bool	canAddChild (const SBNode * node, const SBNode * nextNode=nullptr) override const Returns whether this node can add `node` as a child.
virtual bool	canAddChildType (SBNode::Type nodeType) override const Returns whether this node can add a node with type `nodeType` as a child.
virtual bool	canHaveDescendantType (SBNode::Type nodeType) override const Returns whether this node can have a node with type `nodeType` as a descendant.
void	clearComment () Clears the comment.
void	clearStatusBit () Clears the status bit.
void	clearStructuralID () Clears the structural group's id.
virtual SBMStructuralModelNodeGroup *	clone () override Returns a copy of the node and its descendants.
virtual void	forEachNodeDepthFirst (void()(SBDDataGraphNode* node) action) override Performs an action on each node.*
virtual void	forEachNodeDepthFirst (SBCClass * object, void(SBCClass::)(SBDDataGraphNode* node) action) override Performs an action on each node.*
virtual SBPointerList< SBMStructuralModelNode > const *	getChildren () override const Returns the list of child nodes.
std::string const &	getComment () const Returns the comment.
virtual SBQuantity::mass	getMolecularWeight () override Returns the molecular weight.
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.
virtual unsigned int	getNumberOfAtoms () override Returns the number of atoms.
virtual unsigned int	getNumberOfCarbons () override Returns the number of carbons.
virtual unsigned int	getNumberOfChains () override Returns the number of chains.
virtual unsigned int	getNumberOfCoarseGrainedAtoms () override Returns the number of coarse-grained atoms.
virtual unsigned int	getNumberOfHydrogens () override Returns the number of hydrogens.
virtual unsigned int	getNumberOfMolecules () override Returns the number of molecules.
virtual unsigned int	getNumberOfNitrogens () override Returns the number of nitrogens.
virtual unsigned int	getNumberOfOtherAtoms () override Returns the number of other atoms.
virtual unsigned int	getNumberOfOxygens () override Returns the number of oxygens.
virtual unsigned int	getNumberOfResidues () override Returns the number of residues.
virtual unsigned int	getNumberOfSegments () override Returns the number of segments.
virtual unsigned int	getNumberOfStructuralGroups () override Returns the number of structural groups.
virtual unsigned int	getNumberOfSulfurs () override Returns the number of sulfurs.
std::string const &	getStatusBit () const Returns the status bit.
int const &	getStructuralID () const Returns the structural group's id.
virtual int	getSumOfFormalCharges () override Returns the sum of formal charges.
virtual float	getSumOfPartialCharges () override Returns the sum of partial charges.
virtual SBDDataGraphNode::Type	getType () override const Returns the node type ( SBNode::StructuralGroup )
bool	hasComment () const Returns true when the comment is set.
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	hasStatusBit () const Returns true when the status bit is set.
bool	hasStructuralID () const Returns true when the structural group's id is set.
bool	isMonatomicIon () Returns true if the structural group is a monatomic ion.
virtual bool	isSerializable () override const Returns true.
bool	isWater () Returns true if the structural group is a water molecule.
virtual void	onBaseEvent (SBEvent * event)
virtual void	print (unsigned int offset=0) override const Prints debugging information.
virtual bool	removeChild (SBNode * node) override Removes a child from the node.
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 node.
void	setComment (const std::string & comment) Sets the comment.
virtual void	setName (const std::string & name) override Sets the name of the structural group.
void	setStatusBit (const std::string & statusBit) Sets the status bit.
void	setStructuralID (const int & groupID) Sets the structural group's id.
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 node.
virtual	~SBMStructuralModelNodeGroup ()

Public Functions inherited from SBMStructuralModelNode#

See SBMStructuralModelNode

Type	Name
	SB_DECLARE_DATA (SBMStructuralModelNode)
virtual SBMStructuralModelNode *	clone () override Returns a copy of the node and its descendants.
void	connectStructuralSignalToSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBStructuralEvent* ) functionPointer, SBStructuralEvent::Type* eventType=SBStructuralEvent::Type::Any, SBCReferenceTarget * nextReferenceTarget=0, void(SBCReferenceTarget::)(SBStructuralEvent* *) nextFunctionPointer=0)
void	disconnectStructuralSignalFromSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBStructuralEvent* ) functionPointer, SBStructuralEvent::Type* eventType=SBStructuralEvent::Type::Any)
virtual void	forEachNodeDepthFirst (void()(SBDDataGraphNode* node) action) override Performs an action on each node.*
virtual void	forEachNodeDepthFirst (SBCClass * object, void(SBCClass::)(SBDDataGraphNode* node) action) override Performs an action on each node.*
void	forEachStructuralNodeBreadthFirst (void()(SBMStructuralModelNode* *node) action)
void	forEachStructuralNodeBreadthFirst (SBCClass * object, void(SBCClass::)(SBMStructuralModelNode* *node) action)
void	forEachStructuralNodeDepthFirst (void()(SBMStructuralModelNode* *node) action)
void	forEachStructuralNodeDepthFirst (SBCClass * object, void(SBCClass::)(SBMStructuralModelNode* *node) action)
void	getAllStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getAllStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getAllStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode * > & nodeIndexer)
virtual SBPointerList< SBMStructuralModelNode > const *	getChildren () const Returns the list of child nodes.
void	getInternalStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getInternalStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getInternalStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getLeafStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getLeafStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode * > & nodeIndexer)
void	getLeafStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode * > & nodeIndexer)
virtual bool	getLockedFlag () override const Returns the locked flag of the model.
virtual unsigned int	getMaximumTransparency () override const Returns the maximum transparency.
virtual unsigned int	getMinimumOpacity () override const Returns the minimum opacity.
SBMStructuralModel *	getModel () const
SBMStructuralModelNode *	getNextStructuralNode () const
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.
virtual unsigned int	getOpacity () override const Returns the opacity.
SBMStructuralModelNode *	getPreviousStructuralNode () const
void	getStructuralNodesBreadthFirst (std::vector< SBMStructuralModelNode * > & nodeVectorTopDown, std::vector< SBMStructuralModelNode * > & nodeVectorBottomUp, bool()(SBMStructuralModelNode* *) selectionRule)
void	getStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode * > & nodeIndexer, bool()(SBMStructuralModelNode* *) selectionRule)
void	getStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode * > & nodeIndexer, bool()(SBMStructuralModelNode* *) selectionRule)
void	getStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode * > & nodeIndexer, bool()(SBMStructuralModelNode* *) selectionRule)
bool	getStructuralSignalFlag () const Returns true when the node can send structural signals.
virtual unsigned int	getTransparency () override const Returns the transparency.
virtual SBDDataGraphNode::Type	getType () override const Returns the type of the data graph node.
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.
virtual bool	isLocked () override const Returns whether the node is locked (because of the model)
virtual bool	isSerializable () override const Returns true.
virtual void	print (unsigned int offset=0) override const Prints debugging information.
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 node.
void	setStructuralSignalFlag (bool structuralSignalFlag) Sets whether the node can send structural signals.
bool	structuralSignalIsConnectedToSlot (SBCReferenceTarget * referenceTarget, void(SBCReferenceTarget::)(SBStructuralEvent* ) functionPointer, SBStructuralEvent::Type* eventType=SBStructuralEvent::Type::Any) const
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 node.
virtual	~SBMStructuralModelNode ()

Public Functions inherited from SBMModelNode#

See SBMModelNode

Type	Name
	SB_DECLARE_DATA (SBMModelNode)
virtual SBMModelNode *	clone () override Returns a copy of the node and its descendants.
virtual SBDDataGraphNode::Type	getType () override const Returns the type of the data graph node.
virtual bool	isSerializable () override const Returns true.
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 node.
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 node.

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#

Type	Name
SBAtom *	getDonorBorneHydrogen (SBAtom * donor, SBAtom * acceptor, const SBQuantity::degree & angleThreshold) Returns a donor-borne hydrogen atom.

Public Static Functions inherited from SBMStructuralModelNode#

See SBMStructuralModelNode

Type	Name
void	forEachStructuralNodeInSelection (std::vector< SBMStructuralModelNode * > & selection, void()(SBMStructuralModelNode* *node) action)
void	forEachStructuralNodeInSelection (std::vector< SBMStructuralModelNode * > & selection, SBCClass * object, void(SBCClass::)(SBMStructuralModelNode* *node) action)

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 SBMStructuralModelNodeGroup#

See SBMStructuralModelNodeGroup

Type	Name
	SBMStructuralModelNodeGroup (SBMStructuralModelNodeGroupData * dataPointer) Builds a base object.

Protected Functions inherited from SBMStructuralModelNode#

See SBMStructuralModelNode

Type	Name
	SBMStructuralModelNode () Builds a structural model node.
	SBMStructuralModelNode (SBMStructuralModelNodeData * dataPointer) Builds a structural model node.

Protected Functions inherited from SBMModelNode#

See SBMModelNode

Type	Name
	SBMModelNode () Builds a base object.
	SBMModelNode (SBMModelNodeData * dataPointer) Builds a base object.
virtual	~SBMModelNode ()

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 Hydrogen-bond group.

Short name: SBHydrogenBondGroup

Public Types Documentation#

enum HydrogenBondSystemSetupType#

enum SBMStructuralModelNodeHydrogenBondGroup::HydrogenBondSystemSetupType {
    SingleSystem = 0,
    BetweenTwoSystems = 1
};

Public Functions Documentation#

function SBMStructuralModelNodeHydrogenBondGroup [1/4]#

SBMStructuralModelNodeHydrogenBondGroup::SBMStructuralModelNodeHydrogenBondGroup ()

function SBMStructuralModelNodeHydrogenBondGroup [2/4]#

SBMStructuralModelNodeHydrogenBondGroup::SBMStructuralModelNodeHydrogenBondGroup (
    const std::string & name
)

function SBMStructuralModelNodeHydrogenBondGroup [3/4]#

SBMStructuralModelNodeHydrogenBondGroup::SBMStructuralModelNodeHydrogenBondGroup (
    const std::string & name,
    const SBNodeIndexer & nodeIndexer
)

function SBMStructuralModelNodeHydrogenBondGroup [4/4]#

SBMStructuralModelNodeHydrogenBondGroup::SBMStructuralModelNodeHydrogenBondGroup (
    const std::string & name,
    const SBNodeIndexer & nodeIndexer1,
    const SBNodeIndexer & nodeIndexer2
)

function SB_DECLARE_DATA#

SBMStructuralModelNodeHydrogenBondGroup::SB_DECLARE_DATA (
    SBMStructuralModelNodeHydrogenBondGroup
)

function addChild#

Adds a child to the backbone.

virtual bool SBMStructuralModelNodeHydrogenBondGroup::addChild (
    SBNode * node,
    SBNode * nextNode=nullptr
) override

Implements SBMStructuralModelNodeGroup::addChild

function canAddChildType#

Returns whether this node can add a node with type nodeType as a child.

virtual bool SBMStructuralModelNodeHydrogenBondGroup::canAddChildType (
    SBNode::Type nodeType
) override const

Implements SBMStructuralModelNodeGroup::canAddChildType

function canHaveDescendantType#

Returns whether this node can have a node with type nodeType as a descendant.

virtual bool SBMStructuralModelNodeHydrogenBondGroup::canHaveDescendantType (
    SBNode::Type nodeType
) override const

Implements SBMStructuralModelNodeGroup::canHaveDescendantType

function clone#

Returns a copy of the node and its descendants.

virtual SBMStructuralModelNodeHydrogenBondGroup * SBMStructuralModelNodeHydrogenBondGroup::clone () override

Implements SBMStructuralModelNodeGroup::clone

function getAcceptorElementsString#

Returns a string with acceptor element types.

std::string SBMStructuralModelNodeHydrogenBondGroup::getAcceptorElementsString () const

function getAngleThreshold#

Returns the H-bond group's D-H-A angle threshold.

SBQuantity::degree SBMStructuralModelNodeHydrogenBondGroup::getAngleThreshold () const

function getAngleThresholdSingleStep#

Returns the single step of the H-bond group's D-H-A angle threshold.

SBQuantity::degree SBMStructuralModelNodeHydrogenBondGroup::getAngleThresholdSingleStep () const

function getAngleThresholdSuffix#

Returns the suffix of the H-bond group's D-H-A angle threshold.

std::string SBMStructuralModelNodeHydrogenBondGroup::getAngleThresholdSuffix () const

function getDefaultAngleThreshold#

Returns the H-bond group's default D-H-A angle threshold.

SBQuantity::degree SBMStructuralModelNodeHydrogenBondGroup::getDefaultAngleThreshold () const

function getDefaultThresholdDistanceOfModerateHBond#

Returns the H-bond group's default threshold distance for moderate H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getDefaultThresholdDistanceOfModerateHBond () const

function getDefaultThresholdDistanceOfStrongHBond#

Returns the H-bond group's default threshold distance for strong H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getDefaultThresholdDistanceOfStrongHBond () const

function getDefaultThresholdDistanceOfWeakHBond#

Returns the H-bond group's default threshold distance for weak H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getDefaultThresholdDistanceOfWeakHBond () const

function getDonorElementsString#

Returns a string with donor element types.

std::string SBMStructuralModelNodeHydrogenBondGroup::getDonorElementsString () const

function getHideLeastProbableHBondsFlag#

Returns whether the least probable H-bonds should be hidden.

bool SBMStructuralModelNodeHydrogenBondGroup::getHideLeastProbableHBondsFlag () const

function getHydrogenBondAtoms#

Gets atoms (acceptors, donors, hydrogens) of visible hydrogen bonds.

void SBMStructuralModelNodeHydrogenBondGroup::getHydrogenBondAtoms (
    SBNodeIndexer & nodeIndexer
)

function getHydrogenBondSystemSetupType#

Returns the current hydrogen bond system setup type.

HydrogenBondSystemSetupType SBMStructuralModelNodeHydrogenBondGroup::getHydrogenBondSystemSetupType () const

function getMaximumAngleThreshold#

Returns the H-bond group's maximum D-H-A angle threshold.

SBQuantity::degree SBMStructuralModelNodeHydrogenBondGroup::getMaximumAngleThreshold () const

function getMaximumThresholdDistanceOfModerateHBond#

Returns the H-bond group's maximum threshold distance for moderate H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMaximumThresholdDistanceOfModerateHBond () const

function getMaximumThresholdDistanceOfStrongHBond#

Returns the H-bond group's maximum threshold distance for strong H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMaximumThresholdDistanceOfStrongHBond () const

function getMaximumThresholdDistanceOfWeakHBond#

Returns the H-bond group's maximum threshold distance for weak H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMaximumThresholdDistanceOfWeakHBond () const

function getMinimumAngleThreshold#

Returns the H-bond group's minimum D-H-A angle threshold.

SBQuantity::degree SBMStructuralModelNodeHydrogenBondGroup::getMinimumAngleThreshold () const

function getMinimumThresholdDistanceOfModerateHBond#

Returns the H-bond group's minimum threshold distance for moderate H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMinimumThresholdDistanceOfModerateHBond () const

function getMinimumThresholdDistanceOfStrongHBond#

Returns the H-bond group's minimum threshold distance for strong H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMinimumThresholdDistanceOfStrongHBond () const

function getMinimumThresholdDistanceOfWeakHBond#

Returns the H-bond group's minimum threshold distance for weak H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getMinimumThresholdDistanceOfWeakHBond () const

function getNumberOfVisibleHydrogenBonds#

Returns the number of visible hydrogen bonds.

int SBMStructuralModelNodeHydrogenBondGroup::getNumberOfVisibleHydrogenBonds () const

function getShowModerateHBondsFlag#

Returns the corresponding flag value.

bool SBMStructuralModelNodeHydrogenBondGroup::getShowModerateHBondsFlag () const

function getShowStrongHBondsFlag#

Returns the corresponding flag value.

bool SBMStructuralModelNodeHydrogenBondGroup::getShowStrongHBondsFlag () const

function getShowWeakHBondsFlag#

Returns the corresponding flag value.

bool SBMStructuralModelNodeHydrogenBondGroup::getShowWeakHBondsFlag () const

function getSystem1#

Returns an indexer of nodes in system 1.

const SBPointerIndexer< SBNode > * SBMStructuralModelNodeHydrogenBondGroup::getSystem1 () const

function getSystem2#

Returns an indexer of nodes in system 2.

const SBPointerIndexer< SBNode > * SBMStructuralModelNodeHydrogenBondGroup::getSystem2 () const

function getThresholdDistanceOfModerateHBond#

Returns the H-bond group's threshold distance for moderate H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfModerateHBond () const

function getThresholdDistanceOfModerateHBondSingleStep#

Returns the single step of the H-bond group's threshold distance for moderate H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfModerateHBondSingleStep () const

function getThresholdDistanceOfModerateHBondSuffix#

Returns the suffix of the H-bond group's threshold distance for moderate H-bonds.

std::string SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfModerateHBondSuffix () const

function getThresholdDistanceOfStrongHBond#

Returns the H-bond group's threshold distance for strong H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfStrongHBond () const

function getThresholdDistanceOfStrongHBondSingleStep#

Returns the single step of the H-bond group's threshold distance for strong H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfStrongHBondSingleStep () const

function getThresholdDistanceOfStrongHBondSuffix#

Returns the suffix of the H-bond group's threshold distance for strong H-bonds.

std::string SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfStrongHBondSuffix () const

function getThresholdDistanceOfWeakHBond#

Returns the H-bond group's threshold distance for weak H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfWeakHBond () const

function getThresholdDistanceOfWeakHBondSingleStep#

Returns the single step of the H-bond group's threshold distance for weak H-bonds.

SBQuantity::length SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfWeakHBondSingleStep () const

function getThresholdDistanceOfWeakHBondSuffix#

Returns the suffix of the H-bond group's threshold distance for weak H-bonds.

std::string SBMStructuralModelNodeHydrogenBondGroup::getThresholdDistanceOfWeakHBondSuffix () const

function getType#

Returns the node type (returns SBNode::HydrogenBondGroup )

virtual SBDDataGraphNode::Type SBMStructuralModelNodeHydrogenBondGroup::getType () override const

Implements SBMStructuralModelNodeGroup::getType

function hasAngleThresholdRange#

Returns true.

bool SBMStructuralModelNodeHydrogenBondGroup::hasAngleThresholdRange () const

function hasThresholdDistanceOfModerateHBondRange#

Returns true.

bool SBMStructuralModelNodeHydrogenBondGroup::hasThresholdDistanceOfModerateHBondRange () const

function hasThresholdDistanceOfStrongHBondRange#

Returns true.

bool SBMStructuralModelNodeHydrogenBondGroup::hasThresholdDistanceOfStrongHBondRange () const

function hasThresholdDistanceOfWeakHBondRange#

Returns true.

bool SBMStructuralModelNodeHydrogenBondGroup::hasThresholdDistanceOfWeakHBondRange () const

function isSerializable#

Returns true.

virtual bool SBMStructuralModelNodeHydrogenBondGroup::isSerializable () override const

Implements SBMStructuralModelNodeGroup::isSerializable

function removeChild#

Removes a child from the backbone.

virtual bool SBMStructuralModelNodeHydrogenBondGroup::removeChild (
    SBNode * node
) override

Implements SBMStructuralModelNodeGroup::removeChild

function resetDefaultParameters#

Resets the H-bond group parameters to their default values.

void SBMStructuralModelNodeHydrogenBondGroup::resetDefaultParameters ()

function selectHydrogenBondAtoms#

Selects atoms (acceptors, donors, hydrogens) of visible hydrogen bonds.

void SBMStructuralModelNodeHydrogenBondGroup::selectHydrogenBondAtoms ()

function serialize#

Serializes the node.

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

Implements SBMStructuralModelNodeGroup::serialize

function setAngleThreshold#

Sets the H-bond group's D-H-A angle threshold to angle .

void SBMStructuralModelNodeHydrogenBondGroup::setAngleThreshold (
    const SBQuantity::degree angle
)

function setHideLeastProbableHBondsFlag#

Sets the corresponding flag.

void SBMStructuralModelNodeHydrogenBondGroup::setHideLeastProbableHBondsFlag (
    bool b
)

function setShowModerateHBondsFlag#

Sets the corresponding flag.

void SBMStructuralModelNodeHydrogenBondGroup::setShowModerateHBondsFlag (
    bool b
)

function setShowStrongHBondsFlag#

Sets the corresponding flag.

void SBMStructuralModelNodeHydrogenBondGroup::setShowStrongHBondsFlag (
    bool b
)

function setShowWeakHBondsFlag#

Sets the corresponding flag.

void SBMStructuralModelNodeHydrogenBondGroup::setShowWeakHBondsFlag (
    bool b
)

function setSystem [1/2]#

Sets a single system.

void SBMStructuralModelNodeHydrogenBondGroup::setSystem (
    const SBNodeIndexer & nodeIndexer
)

function setSystem [2/2]#

Sets two systems.

void SBMStructuralModelNodeHydrogenBondGroup::setSystem (
    const SBNodeIndexer & nodeIndexer1,
    const SBNodeIndexer & nodeIndexer2
)

function setThresholdDistanceOfModerateHBond#

Sets the H-bond group's threshold distance for moderate H-bonds to distance .

void SBMStructuralModelNodeHydrogenBondGroup::setThresholdDistanceOfModerateHBond (
    SBQuantity::length distance
)

function setThresholdDistanceOfStrongHBond#

Sets the H-bond group's threshold distance for strong H-bonds to distance .

void SBMStructuralModelNodeHydrogenBondGroup::setThresholdDistanceOfStrongHBond (
    SBQuantity::length distance
)

function setThresholdDistanceOfWeakHBond#

Sets the H-bond group's threshold distance for weak H-bonds to distance .

void SBMStructuralModelNodeHydrogenBondGroup::setThresholdDistanceOfWeakHBond (
    SBQuantity::length distance
)

function unserialize#

Unserializes the node.

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

Implements SBMStructuralModelNodeGroup::unserialize

function update#

Updates the hydrogen bonds in the hydrogen bond group.

void SBMStructuralModelNodeHydrogenBondGroup::update ()

function ~SBMStructuralModelNodeHydrogenBondGroup#

virtual SBMStructuralModelNodeHydrogenBondGroup::~SBMStructuralModelNodeHydrogenBondGroup ()

Public Static Functions Documentation#

function getDonorBorneHydrogen#

Returns a donor-borne hydrogen atom.

static SBAtom * SBMStructuralModelNodeHydrogenBondGroup::getDonorBorneHydrogen (
    SBAtom * donor,
    SBAtom * acceptor,
    const SBQuantity::degree & angleThreshold
)