This class describes a bond in a structural model.
Public Member Functions | |
| SB_NODE_GETTER_0 (, SBQuantity::dimensionless, GetOrder) | |
| SB_NODE_GETTER_0 (, SBMStructuralModelNodeBond::BondType, GetBondType) | |
| SB_NODE_GETTER_0 (, SBMStructuralModelNodeAtom *, GetLeftAtom) | |
| SB_NODE_GETTER_0 (, SBMStructuralModelNodeAtom *, GetRightAtom) | |
| SB_NODE_GETTER_0 (, SBQuantity::length, GetLength) | |
| SB_NODE_GETTER_0 (, SBPosition3, GetMidPoint) | |
| SB_NODE_GETTER_0 (, std::string, GetStatusBit) | |
| SB_NODE_GETTER_0 (, int, GetCustomType) | |
| SB_NODE_PREDICATE_0 (, HasStatusBit) | |
| SB_NODE_PREDICATE_0 (, HasCustomType) | |
| SB_DECLARE_DATA (SBMStructuralModelNodeBond) | |
Public Member Functions inherited from SBMStructuralModelNode | |
| SB_NODE_GETTER_0 (, bool, GetMobilityFlag) | |
| SB_DECLARE_DATA (SBMStructuralModelNode) | |
| virtual | ~SBMStructuralModelNode () |
| virtual SBPointerList< SBMStructuralModelNode > const * | getChildren () const |
| SBMStructuralModelNode * | getNextStructuralNode () const |
| SBMStructuralModelNode * | getPreviousStructuralNode () const |
| virtual bool | isLocked () const |
| Returns whether the node is locked (because of the model) | |
| virtual bool | getLockedFlag () const |
| Returns the locked flag of the model. | |
| SBMStructuralModel * | getModel () const |
| bool | getMobilityFlag () const |
| Returns the mobility flag. | |
| void | setMobilityFlag (bool flag) |
Sets the mobility flag to flag. | |
| virtual unsigned int | getOpacity () const |
| Returns the opacity. | |
| virtual unsigned int | getMinimumOpacity () const |
| Returns the minimum opacity. | |
| virtual unsigned int | getTransparency () const |
| Returns the transparency. | |
| virtual unsigned int | getMaximumTransparency () const |
| Returns the maximum transparency. | |
| void | connectStructuralSignalToSlot (SBCReferenceTarget *referenceTarget, void(SBCReferenceTarget::*functionPointer)(SBStructuralEvent *), SBCReferenceTarget *nextReferenceTarget=0, void(SBCReferenceTarget::*nextFunctionPointer)(SBStructuralEvent *)=0) |
| bool | structuralSignalIsConnectedToSlot (SBCReferenceTarget *referenceTarget, void(SBCReferenceTarget::*functionPointer)(SBStructuralEvent *)) const |
| void | disconnectStructuralSignalFromSlot (SBCReferenceTarget *referenceTarget, void(SBCReferenceTarget::*functionPointer)(SBStructuralEvent *)) |
| void | getAllStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getInternalStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getLeafStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getStructuralNodesBreadthFirstTopDown (std::vector< SBMStructuralModelNode *> &nodeIndexer, bool(*selectionRule)(SBMStructuralModelNode *)) |
| void | getAllStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getInternalStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getLeafStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getStructuralNodesBreadthFirstBottomUp (std::vector< SBMStructuralModelNode *> &nodeIndexer, bool(*selectionRule)(SBMStructuralModelNode *)) |
| void | getAllStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getInternalStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getLeafStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode *> &nodeIndexer) |
| void | getStructuralNodesDepthFirst (std::vector< SBMStructuralModelNode *> &nodeIndexer, bool(*selectionRule)(SBMStructuralModelNode *)) |
| void | getStructuralNodesBreadthFirst (std::vector< SBMStructuralModelNode *> &nodeVectorTopDown, std::vector< SBMStructuralModelNode *> &nodeVectorBottomUp, bool(*selectionRule)(SBMStructuralModelNode *)) |
| virtual void | forEachNodeDepthFirst (void(*action)(SBDDataGraphNode *node)) |
| Performs an action on each node. | |
| virtual void | forEachNodeDepthFirst (SBCClass *object, void(SBCClass::*action)(SBDDataGraphNode *node)) |
| Performs an action on each node. | |
| void | forEachStructuralNodeBreadthFirst (void(*action)(SBMStructuralModelNode *node)) |
| void | forEachStructuralNodeDepthFirst (void(*action)(SBMStructuralModelNode *node)) |
| void | forEachStructuralNodeBreadthFirst (SBCClass *object, void(SBCClass::*action)(SBMStructuralModelNode *node)) |
| void | forEachStructuralNodeDepthFirst (SBCClass *object, void(SBCClass::*action)(SBMStructuralModelNode *node)) |
Public Member Functions inherited from SBMModelNode | |
| SB_DECLARE_DATA (SBMModelNode) | |
Public Member Functions inherited from SBDDataGraphNode | |
| SB_DECLARE_DATA (SBDDataGraphNode) | |
| SBDDataGraphNode * | getParent () const |
| Returns the parent of the node. More... | |
| SBDDataGraphNode * | getThisNode () const |
| Returns the pointer to this node. More... | |
| SBDDataGraphNode * | getNextNode () const |
| Returns the pointer to the next node in the children of the node's parent. More... | |
| SBDDataGraphNode * | getPreviousNode () const |
| Returns the pointer to the previous node in the children of the node's parent. More... | |
| SBDDataGraphNode * | getNextNode (SBDDataGraphNode::Type nodeType) const |
Returns the pointer to the next node with type nodeType in the children of the node's parent. More... | |
| SBDDataGraphNode * | getPreviousNode (SBDDataGraphNode::Type nodeType) const |
Returns the pointer to the previous node with type nodeType in the children of the node's parent. More... | |
| SBDDocument * | getDocument () const |
| Returns the document the node belongs to. More... | |
| virtual bool | canAddChild (SBDDataGraphNode *node, SBDDataGraphNode *nextNode=0) const |
Returns whether this node can add node as a child. More... | |
| virtual bool | canAddChildType (SBDDataGraphNode::Type nodeType) const |
Returns whether this node can add a node with type nodeType as a child. More... | |
| virtual bool | canHaveDescendantType (SBDDataGraphNode::Type nodeType) const |
Returns whether this node can have a node with type nodeType as a descendant. More... | |
| virtual bool | addChild (SBDDataGraphNode *node, SBDDataGraphNode *nextNode=0) |
| Adds a child to the node. More... | |
| virtual bool | removeChild (SBDDataGraphNode *node) |
| Removes a child from the node. More... | |
| 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. More... | |
| bool | descendsFrom (SBDDataGraphNode *node) const |
Returns true if and only if this node is node, or descends from it. More... | |
| 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. More... | |
| 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. More... | |
| bool | isIn (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. More... | |
| 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. More... | |
| 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. More... | |
| bool | isOneOf (const SBNodeIndexer &nodeIndexer) const |
Returns true if and only if this node is one of the nodes of the nodeIndexer. More... | |
| bool | isOneOf (SBPointerIndexer< SBDDataGraphNode > *nodePointerIndexer) const |
Returns true if and only if this node is one of the nodes of the nodePointerIndexer. More... | |
| SBDDataGraphNode * | getRoot () const |
| Returns the root of the hierarchy the node belongs to. More... | |
| unsigned int | getNodeIndex () const |
| Returns the node index (unique in the whole data graph, but non-persistent) More... | |
| std::string | getTypeString (bool humanReadable=false) const |
| Returns a string describing the type of the data graph node. More... | |
| 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. More... | |
| 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 | 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 | isSimulator () const |
| Returns true when the node is a simulator. | |
| bool | isStructuralParticle () const |
| Returns true when the node is a structural particle (an atom or a pseudo-atom) | |
| virtual void | setLockedFlag (bool flag) |
| Sets the locked flag. | |
| bool | isCreated () const |
| Returns true if and only if the node is created. More... | |
| void | create () |
| Creates the node. More... | |
| bool | isErased () const |
| Returns true if and only if the node is erased. More... | |
| void | erase () |
| Erases the node. More... | |
| unsigned int | getFlags () const |
| Returns the flags. More... | |
| unsigned int | getInheritedFlags () const |
| Returns the inherited flags. More... | |
| bool | isSelected () const |
| Returns whether the node is selected. More... | |
| bool | getSelected () const |
| Returns whether the node is selected. | |
| bool | getSelectionFlag () const |
| Returns the selection flag. More... | |
| void | setSelectionFlag (bool flag) |
| Sets the selection flag. More... | |
| bool | isVisible () const |
| Returns whether the node is visible. More... | |
| bool | getVisible () const |
| Returns whether the node is visible. | |
| bool | getVisibilityFlag () const |
| Returns the visibility flag. More... | |
| void | setVisibilityFlag (bool flag) |
| Sets the visibility flag. More... | |
| bool | isHighlighted () const |
| Returns whether the node is highlighted. More... | |
| bool | getHighlightingFlag () const |
| Returns the highlighting flag. More... | |
| void | setHighlightingFlag (bool flag) |
| Sets the highlighting flag. More... | |
| virtual void | display (RenderingPass renderingPass) |
| Displays the node. More... | |
| virtual void | display () |
| Displays the node (deprecated) More... | |
| virtual void | displayForShadow () |
| Displays the node for shadowing purposes (deprecated) More... | |
| virtual void | displayForSelection () |
| Displays the node for selection purposes (deprecated) More... | |
| 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 | 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 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 | 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 | addMaterial (SBDDataGraphNodeMaterial *material) |
| Adds a material. More... | |
| bool | removeMaterial () |
| Removes the material. More... | |
| SBDDataGraphNodeMaterial * | getMaterial () const |
| Returns the material. More... | |
| SBDDataGraphNode * | getMaterialOwner () const |
| Returns the node whose material is inherited. More... | |
| void | connectBaseSignalToSlot (SBCReferenceTarget *referenceTarget, void(SBCReferenceTarget::*functionPointer)(SBBaseEvent *), SBCReferenceTarget *nextReferenceTarget=0, void(SBCReferenceTarget::*nextFunctionPointer)(SBBaseEvent *)=0) |
| Connects the base signal to a slot. More... | |
| 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 |
Collects nodes into nodeIndexer, based on a nodeType, a selection status and a visitPredicate, with our without dependencies. More... | |
| unsigned int | countNodes (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 our without dependencies. More... | |
| 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. More... | |
Public Member Functions inherited from SBCReferenceTarget | |
| SBCReferenceTarget () | |
| virtual | ~SBCReferenceTarget () |
| unsigned int | getMemoryFootprint () const |
| void | printReferencesToOwners () const |
Constructors and destructors | |
| SBMStructuralModelNodeBond () | |
| Constructs a bond. | |
| SBMStructuralModelNodeBond (SBMStructuralModelNodeAtom *leftAtom, SBMStructuralModelNodeAtom *rightAtom, const SBQuantity::dimensionless &order=SBQuantity::dimensionless(1.0)) | |
Constructs a bond between atoms leftAtom and rightAtom and a specific bond order. | |
| virtual | ~SBMStructuralModelNodeBond () |
| Destructs the bond. | |
Serialization | |
| bool | isSerializable () 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)) const |
| Serializes the bond. | |
| virtual void | unserialize (SBCSerializer *serializer, const SBNodeIndexer &nodeIndexer, const SBVersionNumber &sdkVersionNumber=SB_SDK_VERSION_NUMBER, const SBVersionNumber &classVersionNumber=SBVersionNumber(1, 0, 0)) |
| Unserializes the bond. | |
Topology | |
| enum | BondType { Undefined, Single, Double, Triple, Amide, Aromatic, Dummy } |
| The bond type. More... | |
| SBQuantity::dimensionless const & | getOrder () const |
| Returns the bond order. | |
| void | setOrder (const SBQuantity::dimensionless &order) |
Sets the bond order to order. | |
| SBQuantity::dimensionless const & | getMinimumOrder () const |
| Returns the minimum bond order for the inspector. | |
| SBQuantity::dimensionless const & | getMaximumOrder () const |
| Returns the maximum bond order for the inspector. | |
| SBQuantity::dimensionless const & | getOrderSingleStep () const |
| Returns the bond order single step for the inspector. | |
| std::string | getOrderSuffix () const |
| Returns the bond order suffix for the inspector. | |
| BondType | getBondType () const |
| Returns the bond type. | |
| void | setBondType (BondType bondType) |
Sets the bond type to bondType. | |
| SBMStructuralModelNodeAtom * | getLeftAtom () const |
| Returns a pointer to the left atom. | |
| SBMStructuralModelNodeAtom * | getRightAtom () const |
| Returns a pointer to the right atom. | |
| SBMStructuralModelNodeAtom * | getOppositeAtom (const SBMStructuralModelNodeAtom *atom) const |
Returns the pointer to the atom opposite atom, when atom is either the left atom or the right atom of the bond. | |
| SBQuantity::length | getLength () const |
| Compute the length of the bond. | |
| SBPosition3 | getMidPoint () const |
| Compute the mid point of the bond. | |
| const SBVector3 & | getDisplacement () const |
| Returns the displacement used for display when multiple bond rendering is turned on. | |
| bool | isLinking (const SBNodeIndexer &nodeIndexer) const |
Returns true if and only if either atom is in nodeIndexer, or descends from a node of nodeIndexer. | |
| virtual SBMStructuralModelNodeBond * | clone () |
| Returns a copy of the node and its descendants. | |
| static std::string | getBondTypeString (BondType bondType) |
Returns the string corresponding to the bondType. | |
Identity | |
| SBDDataGraphNode::Type | getType () const |
| Returns the node type (SBNode::Bond) | |
Selection functions | |
| virtual void | getNodes (SBNodeIndexer &nodeIndexer, SBNode::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 our without dependencies. More... | |
| virtual void | getNodes (SBNodeIndexer &nodeIndexer, const SBNodePredicate &selectionPredicate=SBDDataGraphNode::All(), const SBNodePredicate &visitPredicate=SBDDataGraphNode::All(), bool includeDependencies=false) const |
| Returns some nodes. More... | |
Properties | |
| bool | hasStatusBit () const |
| Returns true when the bond's status bit is set. | |
| std::string const & | getStatusBit () const |
| Returns the bond's status bit. | |
| void | setStatusBit (const std::string &statusBit) |
| Sets the bond's status bit. | |
| void | clearStatusBit () |
| Clears the bond's status bit. | |
| bool | hasCustomType () const |
| Returns true when the bond's custom type is set. | |
| int const & | getCustomType () const |
| Returns the bond's custom type. | |
| void | setCustomType (const int &water) |
| Sets the bond's custom type. | |
| void | clearCustomType () |
| Clears the bond's custom type. | |
| bool | isAmideBond () const |
| Returns true if the bond is an amide bond, i.e. between a Nitrogen and a carbonyl Carbon: N-C=O. More... | |
| bool | isPrimaryAmideBond () const |
| Returns true if the bond is a primary amide bond, i.e. an amid bond where the Nitrogen atom has exactly one non-Hydrogen bond. More... | |
| bool | isSecondaryAmideBond () const |
| Returns true if the bond is a secondary amide bond, i.e. an amid bond where the Nitrogen atom has exactly two non-Hydrogen bonds. More... | |
| bool | isTertiaryAmideBond () const |
| Returns true if the bond is a tertiary amide bond, i.e. an amid bond where the Nitrogen atom has exactly three non-Hydrogen bonds. More... | |
| bool | isCarbonylBond () const |
| Returns true if the bond is a carbonyl bond (C=O) More... | |
| bool | isEsterBond () const |
| Returns true if the bond is an ester bond, i.e. between an Oxygen and a carbonyl Carbon: O-C=O. | |
Debugging | |
| virtual void | print (unsigned int offset=0) const |
| Prints debugging information. | |
|
virtual |
This function adds to nodeIndexer the bond itself (if the predicates are valid) and, if includeDependencies is true, attempts to add the bonded atoms as well.
Reimplemented from SBMStructuralModelNode.
|
virtual |
This function adds to nodeIndexer the bond itself (if the predicates are valid) and, if includeDependencies is true, attempts to add the bonded atoms as well.
Reimplemented from SBMStructuralModelNode.
| bool SBMStructuralModelNodeBond::isAmideBond | ( | ) | const |
This function returns true if this bonds is an amide bond, i.e. a bond between a Nitrogen and a carbonyl Carbon. Amide has a general formula RC(=O)NR'R'', where R, R', and R'' represent organic groups or hydrogen atoms. This function checks for a single C-N bond in which Nitrogen has 3 bonds and Carbon has a carbonyl bond (C=O).
| bool SBMStructuralModelNodeBond::isCarbonylBond | ( | ) | const |
This functions returns true if this bonds is a carbonyl bond - a double bond between carbon and oxygen.
| bool SBMStructuralModelNodeBond::isPrimaryAmideBond | ( | ) | const |
This function returns true if this is an amide bond and Nitrogen participating in this bond has exactly one non hydrogen bond.
| bool SBMStructuralModelNodeBond::isSecondaryAmideBond | ( | ) | const |
This function returns true if this is an amide bond and Nitrogen participating in this bond has exactly two non hydrogen bonds.
| bool SBMStructuralModelNodeBond::isTertiaryAmideBond | ( | ) | const |
This function returns true if this is an amide bond and Nitrogen participating in this bond has exactly three non hydrogen bonds.