Bond¶
This class describes a bond in a structural model.
A bond has links to two atoms: the left one and the right one. You can get these atoms as follows:
bond.leftAtom
bond.rightAtom
# get the atom opposite to the given one in a bond
bond.getOppositeAtom(bond.leftAtom)
You can also get some parameters of a bond, such as its type, length, or the middle point position:
bond.bondType
bond.length
bond.midPoint
To construct a new bond you need to provide the left and the right atoms, you can also specify the bond order:
bond = sam.Modeling.StructuralModel.Bond(leftAtom, rightAtom, Quantity.dimensionless(2.0))
# turn the undo system on
SAMSON.beginHolding("Add new bond")
# hold the bond instance
SAMSON.hold(bond)
# create the bond
bond.create()
# add the bond to a structural model
structuralModel.addChild(bond)
# turn the undo system off
SAMSON.endHolding()
See also
SAMSON API: sbmstructuralmodelnodebond
-
class
samson.Modeling.StructuralModel.
Bond
(*args, **kwargs)¶ Bases:
samson.Modeling.StructuralModel.Node
This class describes a bond in a structural model.
Overloaded function.
- __init__(self: samson.Modeling.StructuralModel.Bond) -> None
Constructs a bond
- __init__(self: samson.Modeling.StructuralModel.Bond, leftAtom: samson.Modeling.StructuralModel.Atom, rightAtom: samson.Modeling.StructuralModel.Atom, order: samson.DataModel.Quantity.unitsSI = 1.000000 (dimensionless)) -> None
Constructs a bond between atoms leftAtom and rightAtom and a specific bond order
-
class
BondType
(self: samson.Modeling.StructuralModel.Bond.BondType, arg0: int) → None¶ Bases:
pybind11_builtins.pybind11_object
Members:
Undefined
Single
Double
Triple
Amide
Aromatic
Dummy
-
Amide
= BondType.Amide¶
-
Aromatic
= BondType.Aromatic¶
-
Double
= BondType.Double¶
-
Dummy
= BondType.Dummy¶
-
Single
= BondType.Single¶
-
Triple
= BondType.Triple¶
-
Undefined
= BondType.Undefined¶
-
name
¶ (self – handle) -> str
-
-
class
NodeType
(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶ Bases:
pybind11_builtins.pybind11_object
Members:
Undefined
StructuralModel
StructuralModelNode
StructuralModelConformation
Conformation
StructuralModelPath
Path
StructuralModelNodeGroup
StructuralGroup
StructuralModelNodeRoot
Root
StructuralModelNodeParticle
StructuralParticle
StructuralModelNodeAtom
Atom
StructuralModelNodePseudoAtom
PseudoAtom
StructuralModelNodeBond
Bond
StructuralModelNodeResidue
Residue
StructuralModelNodeSegment
Segment
StructuralModelNodeProtein
Protein
StructuralModelNodeChain
Chain
StructuralModelNodeMolecule
Molecule
StructuralModelNodeBackbone
Backbone
StructuralModelNodeSideChain
SideChain
VisualModel
VisualModelMesh
Mesh
DynamicalModel
DynamicalModelParticleSystem
ParticleSystem
DynamicalModelRigidBodySystem
RigidBodySystem
DynamicalModelArticulatedBodySystem
ArticulatedBodySystem
DynamicalModelNode
DynamicalNode
DynamicalModelNodeGroup
DynamicalGroup
DynamicalModelNodeRoot
DynamicalRoot
DynamicalModelNodeParticle
DynamicalParticle
DynamicalModelNodeRigidBody
RigidBody
DynamicalModelNodeArticulatedBody
ArticulatedBody
InteractionModel
InteractionModelParticleSystem
InteractionModelRigidBodySystem
InteractionModelArticulatedBodySystem
PropertyModel
PropertyModelFunction
Simulator
SimulatorParticleSystem
SimulatorRigidBodySystem
SimulatorArticulatedBodySystem
StateUpdater
StateUpdaterParticleSystem
StateUpdaterRigidBodySystem
StateUpdaterArticulatedBodySystem
DocumentManager
Document
Folder
Camera
Label
DataGraphNodeGroup
NodeGroup
Controller
ControllerNode
Asset
-
ArticulatedBody
= NodeType.DynamicalModelNodeArticulatedBody¶
-
ArticulatedBodySystem
= NodeType.DynamicalModelArticulatedBodySystem¶
-
Asset
= NodeType.Asset¶
-
Atom
= NodeType.StructuralModelNodeAtom¶
-
Backbone
= NodeType.StructuralModelNodeBackbone¶
-
Bond
= NodeType.StructuralModelNodeBond¶
-
Camera
= NodeType.Camera¶
-
Chain
= NodeType.StructuralModelNodeChain¶
-
Conformation
= NodeType.StructuralModelConformation¶
-
Controller
= NodeType.Controller¶
-
ControllerNode
= NodeType.ControllerNode¶
-
DataGraphNodeGroup
= NodeType.DataGraphNodeGroup¶
-
Document
= NodeType.Document¶
-
DocumentManager
= NodeType.DocumentManager¶
-
DynamicalGroup
= NodeType.DynamicalModelNodeGroup¶
-
DynamicalModel
= NodeType.DynamicalModel¶
-
DynamicalModelArticulatedBodySystem
= NodeType.DynamicalModelArticulatedBodySystem¶
-
DynamicalModelNode
= NodeType.DynamicalModelNode¶
-
DynamicalModelNodeArticulatedBody
= NodeType.DynamicalModelNodeArticulatedBody¶
-
DynamicalModelNodeGroup
= NodeType.DynamicalModelNodeGroup¶
-
DynamicalModelNodeParticle
= NodeType.DynamicalModelNodeParticle¶
-
DynamicalModelNodeRigidBody
= NodeType.DynamicalModelNodeRigidBody¶
-
DynamicalModelNodeRoot
= NodeType.DynamicalModelNodeRoot¶
-
DynamicalModelParticleSystem
= NodeType.DynamicalModelParticleSystem¶
-
DynamicalModelRigidBodySystem
= NodeType.DynamicalModelRigidBodySystem¶
-
DynamicalNode
= NodeType.DynamicalModelNode¶
-
DynamicalParticle
= NodeType.DynamicalModelNodeParticle¶
-
DynamicalRoot
= NodeType.DynamicalModelNodeRoot¶
-
Folder
= NodeType.Folder¶
-
InteractionModel
= NodeType.InteractionModel¶
-
InteractionModelArticulatedBodySystem
= NodeType.InteractionModelArticulatedBodySystem¶
-
InteractionModelParticleSystem
= NodeType.InteractionModelParticleSystem¶
-
InteractionModelRigidBodySystem
= NodeType.InteractionModelRigidBodySystem¶
-
Label
= NodeType.Label¶
-
Mesh
= NodeType.VisualModelMesh¶
-
Molecule
= NodeType.StructuralModelNodeMolecule¶
-
NodeGroup
= NodeType.DataGraphNodeGroup¶
-
ParticleSystem
= NodeType.DynamicalModelParticleSystem¶
-
Path
= NodeType.StructuralModelPath¶
-
PropertyModel
= NodeType.PropertyModel¶
-
PropertyModelFunction
= NodeType.PropertyModelFunction¶
-
Protein
= NodeType.StructuralModelNodeProtein¶
-
PseudoAtom
= NodeType.StructuralModelNodePseudoAtom¶
-
Residue
= NodeType.StructuralModelNodeResidue¶
-
RigidBody
= NodeType.DynamicalModelNodeRigidBody¶
-
RigidBodySystem
= NodeType.DynamicalModelRigidBodySystem¶
-
Root
= NodeType.StructuralModelNodeRoot¶
-
Segment
= NodeType.StructuralModelNodeSegment¶
-
SideChain
= NodeType.StructuralModelNodeSideChain¶
-
Simulator
= NodeType.Simulator¶
-
SimulatorArticulatedBodySystem
= NodeType.SimulatorArticulatedBodySystem¶
-
SimulatorParticleSystem
= NodeType.SimulatorParticleSystem¶
-
SimulatorRigidBodySystem
= NodeType.SimulatorRigidBodySystem¶
-
StateUpdater
= NodeType.StateUpdater¶
-
StateUpdaterArticulatedBodySystem
= NodeType.StateUpdaterArticulatedBodySystem¶
-
StateUpdaterParticleSystem
= NodeType.StateUpdaterParticleSystem¶
-
StateUpdaterRigidBodySystem
= NodeType.StateUpdaterRigidBodySystem¶
-
StructuralGroup
= NodeType.StructuralModelNodeGroup¶
-
StructuralModel
= NodeType.StructuralModel¶
-
StructuralModelConformation
= NodeType.StructuralModelConformation¶
-
StructuralModelNode
= NodeType.StructuralModelNode¶
-
StructuralModelNodeAtom
= NodeType.StructuralModelNodeAtom¶
-
StructuralModelNodeBackbone
= NodeType.StructuralModelNodeBackbone¶
-
StructuralModelNodeBond
= NodeType.StructuralModelNodeBond¶
-
StructuralModelNodeChain
= NodeType.StructuralModelNodeChain¶
-
StructuralModelNodeGroup
= NodeType.StructuralModelNodeGroup¶
-
StructuralModelNodeMolecule
= NodeType.StructuralModelNodeMolecule¶
-
StructuralModelNodeParticle
= NodeType.StructuralModelNodeParticle¶
-
StructuralModelNodeProtein
= NodeType.StructuralModelNodeProtein¶
-
StructuralModelNodePseudoAtom
= NodeType.StructuralModelNodePseudoAtom¶
-
StructuralModelNodeResidue
= NodeType.StructuralModelNodeResidue¶
-
StructuralModelNodeRoot
= NodeType.StructuralModelNodeRoot¶
-
StructuralModelNodeSegment
= NodeType.StructuralModelNodeSegment¶
-
StructuralModelNodeSideChain
= NodeType.StructuralModelNodeSideChain¶
-
StructuralModelPath
= NodeType.StructuralModelPath¶
-
StructuralParticle
= NodeType.StructuralModelNodeParticle¶
-
Undefined
= NodeType.Undefined¶
-
VisualModel
= NodeType.VisualModel¶
-
VisualModelMesh
= NodeType.VisualModelMesh¶
-
name
¶ (self – handle) -> str
-
-
addChild
(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node = None) → bool¶ Adds a child to the node
-
canAddChild
(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node = None) → bool¶ Returns whether this node can add node as a child
-
canAddChildType
(self: samson.DataModel.DataGraph.Node, nodeType: SBDDataGraphNode::Type) → bool¶ Returns whether this node can add a node with type nodeType as a child
-
castToInteractionModelParticleSystem
(self: samson.DataModel.DataGraph.Node) → SBMInteractionModelParticleSystem¶ Casts (if possible) from SBDDataGraphNode to SBMInteractionModelParticleSystem
-
castToLabel
(self: samson.DataModel.DataGraph.Node) → SBDDocumentLabel¶ Casts (if possible) from SBDDataGraphNode to SBDDocumentLabel
-
castToMesh
(self: samson.DataModel.DataGraph.Node) → SBMVisualModelMesh¶ Casts (if possible) from SBDDataGraphNode to SBMVisualModelMesh
-
castToVisualModel
(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶ Casts (if possible) from SBDDataGraphNode to SBMVisualModel
-
clearCustomType
(self: samson.Modeling.StructuralModel.Bond) → None¶ Clears the bond’s custom type
-
clearStatusBit
(self: samson.Modeling.StructuralModel.Bond) → None¶ Clears the bond’s status bit
-
clone
(self: samson.Modeling.StructuralModel.Bond) → samson.Modeling.StructuralModel.Bond¶ Returns a copy of the node and its descendants
-
countNodes
(self: samson.DataModel.DataGraph.Node, selectionString: str = '*', visitString: str = '*', includeDependencies: bool = False) → int¶ - Count nodes into nodeIndexer, based on a selectionPredicate and a visitPredicate, with our without dependencies).
- For selectionString and visitString use Node Specification Language (SAMSON API: pagenodespecificationlanguage
-
create
(self: samson.DataModel.DataGraph.Node) → None¶ Creates the node
-
erase
(self: samson.DataModel.DataGraph.Node) → None¶ Erases the node
-
getChildren
(self: samson.Modeling.StructuralModel.Node) → samson.DataModel.DataGraph.NodeIndexer¶ Returns the children of the node
-
getDocument
(self: samson.DataModel.DataGraph.Node) → SBDDocument¶ Returns the document the node belongs to
-
getFlags
(self: samson.DataModel.DataGraph.Node) → int¶ Returns the flags
-
getHierarchyString
(self: samson.DataModel.DataGraph.Node, separator: str = '/', includeNodeType: bool = False) → str¶ Returns a string with hierarchical information on the node and its parents names
-
getInheritedFlags
(self: samson.DataModel.DataGraph.Node) → int¶ Returns the inherited flags
-
getMaterial
(self: samson.DataModel.DataGraph.Node) → SBDDataGraphNodeMaterial¶ Returns the material of the node
-
getMaterialOwner
(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶ Returns the node whose material is inherited
-
getMemoryFootprint
(self: samson.Core.Reference.ReferenceTarget) → int¶ Returns the memory footprint
-
getModel
(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
-
getNextNode
(*args, **kwargs)¶ Overloaded function.
- getNextNode(self: samson.DataModel.DataGraph.Node) -> samson.DataModel.DataGraph.Node
Returns the pointer to the next node in the children of the node’s parent
- getNextNode(self: samson.DataModel.DataGraph.Node, nodeType: SBDDataGraphNode::Type) -> samson.DataModel.DataGraph.Node
Returns the pointer to the next node with type nodeType in the children of the node’s parent
-
getNextStructuralNode
(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.Node¶
-
getNode
(self: int) → samson.DataModel.DataGraph.Node¶ Returns the unique node corresponding to the node index nodeIndex
-
getNodes
(self: samson.DataModel.DataGraph.Node, selectionString: str = '*', visitString: str = '*', includeDependencies: bool = False) → samson.DataModel.DataGraph.NodeIndexer¶ - Returns nodes (in a node indexer), based on a selectionString and a visitString, with our without dependencies).
- For selectionString and visitString use Node Specification Language (SAMSON API: pagenodespecificationlanguage
-
getOppositeAtom
(self: samson.Modeling.StructuralModel.Bond, atom: samson.Modeling.StructuralModel.Atom) → samson.Modeling.StructuralModel.Atom¶ Returns the pointer to the atom opposite atom, when atom is either the left atom or the right atom of the bond
-
getParent
(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶ Returns the parent of the node
-
getPreviousNode
(*args, **kwargs)¶ Overloaded function.
- getPreviousNode(self: samson.DataModel.DataGraph.Node) -> samson.DataModel.DataGraph.Node
Returns the pointer to the previous node in the children of the node’s parent
- getPreviousNode(self: samson.DataModel.DataGraph.Node, nodeType: SBDDataGraphNode::Type) -> samson.DataModel.DataGraph.Node
Returns the pointer to the previous node with type nodeType in the children of the node’s parent
-
getPreviousStructuralNode
(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.Node¶
-
getRoot
(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶ Returns the root of the hierarchy the node belongs to
-
getThisNode
(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶ Returns the pointer to this node
-
getTypeString
(type: SBDDataGraphNode::Type) → str¶ Returns a string describing the type of the data graph node
-
hasOneOf
(self: samson.DataModel.DataGraph.Node, nodeIndexer: SBDDataGraphNodeIndexer) → bool¶ Returns true if and only if this node is one of the nodes of the nodeIndexer, or is the ancestor of one of them
-
isDynamicalModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a dynamical model
-
isIn
(*args, **kwargs)¶ Overloaded function.
- isIn(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node) -> bool
Returns true if and only if this node is node, or descends from it
- isIn(self: samson.DataModel.DataGraph.Node, nodeIndexer: SBDDataGraphNodeIndexer) -> bool
Returns true if and only if this node is one of the nodes of the nodeIndexer, or descends from one of them
-
isInteractionModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a interaction model
-
isLinking
(self: samson.Modeling.StructuralModel.Bond, nodeIndexer: samson.DataModel.DataGraph.NodeIndexer) → bool¶ Returns true if and only if either atom is in nodeIndexer, or descends from a node of nodeIndexer
-
isMesh
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a mesh
-
isModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a model
-
isOneOf
(self: samson.DataModel.DataGraph.Node, nodeIndexer: SBDDataGraphNodeIndexer) → bool¶ Returns true if and only if this node is one of the nodes of the nodeIndexer
-
isPropertyModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a property model
-
isSimulator
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a simulator
-
isStructuralModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a structural model
-
isStructuralParticle
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a structural particle (an atom or a pseudo-atom)
-
isType
(self: samson.DataModel.DataGraph.Node, type: SBDDataGraphNode::Type) → bool¶ Returns true when the type of the node corresponds to type
-
isVisualModel
(self: samson.DataModel.DataGraph.Node) → bool¶ Returns true when the node is a visual model
-
printDebugInfo
(self: samson.Modeling.StructuralModel.Bond, offset: int = 0) → None¶ Prints some debugging information in stdout
-
removeChild
(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node) → bool¶ Removes a child from the node
-
removeMaterial
(self: samson.DataModel.DataGraph.Node) → bool¶ Removes material from the node
-
setColor
(self: samson.DataModel.DataGraph.Node, color: SBDTypeColor) → bool¶ Sets the color for the node (modifies an existing material of the node or adds a material with a given color)
- Args:
- color (Color): color to set
-
setColorScheme
(self: samson.DataModel.DataGraph.Node, colorScheme: SBDDataGraphNodeColorScheme) → bool¶ Sets the color scheme for the node (modifies an existing material of the node or adds a material with a given color scheme)
Args: colorScheme (ColorScheme): color scheme to set
-
setMaterial
(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶ Sets the material for the node.
- Args:
- material (Material): material to set
-
toString
(self: samson.Modeling.StructuralModel.Bond) → str¶ A string representation
-
Amide
= BondType.Amide¶
-
Aromatic
= BondType.Aromatic¶
-
ArticulatedBody
= NodeType.DynamicalModelNodeArticulatedBody¶
-
ArticulatedBodySystem
= NodeType.DynamicalModelArticulatedBodySystem¶
-
Asset
= NodeType.Asset¶
-
Atom
= NodeType.StructuralModelNodeAtom¶
-
Backbone
= NodeType.StructuralModelNodeBackbone¶
-
Bond
= NodeType.StructuralModelNodeBond¶
-
Camera
= NodeType.Camera¶
-
Chain
= NodeType.StructuralModelNodeChain¶
-
Conformation
= NodeType.StructuralModelConformation¶
-
Controller
= NodeType.Controller¶
-
ControllerNode
= NodeType.ControllerNode¶
-
DataGraphNodeGroup
= NodeType.DataGraphNodeGroup¶
-
Document
= NodeType.Document¶
-
DocumentManager
= NodeType.DocumentManager¶
-
Double
= BondType.Double¶
-
Dummy
= BondType.Dummy¶
-
DynamicalGroup
= NodeType.DynamicalModelNodeGroup¶
-
DynamicalModel
= NodeType.DynamicalModel¶
-
DynamicalModelArticulatedBodySystem
= NodeType.DynamicalModelArticulatedBodySystem¶
-
DynamicalModelNode
= NodeType.DynamicalModelNode¶
-
DynamicalModelNodeArticulatedBody
= NodeType.DynamicalModelNodeArticulatedBody¶
-
DynamicalModelNodeGroup
= NodeType.DynamicalModelNodeGroup¶
-
DynamicalModelNodeParticle
= NodeType.DynamicalModelNodeParticle¶
-
DynamicalModelNodeRigidBody
= NodeType.DynamicalModelNodeRigidBody¶
-
DynamicalModelNodeRoot
= NodeType.DynamicalModelNodeRoot¶
-
DynamicalModelParticleSystem
= NodeType.DynamicalModelParticleSystem¶
-
DynamicalModelRigidBodySystem
= NodeType.DynamicalModelRigidBodySystem¶
-
DynamicalNode
= NodeType.DynamicalModelNode¶
-
DynamicalParticle
= NodeType.DynamicalModelNodeParticle¶
-
DynamicalRoot
= NodeType.DynamicalModelNodeRoot¶
-
Folder
= NodeType.Folder¶
-
InteractionModel
= NodeType.InteractionModel¶
-
InteractionModelArticulatedBodySystem
= NodeType.InteractionModelArticulatedBodySystem¶
-
InteractionModelParticleSystem
= NodeType.InteractionModelParticleSystem¶
-
InteractionModelRigidBodySystem
= NodeType.InteractionModelRigidBodySystem¶
-
Label
= NodeType.Label¶
-
Mesh
= NodeType.VisualModelMesh¶
-
Molecule
= NodeType.StructuralModelNodeMolecule¶
-
NodeGroup
= NodeType.DataGraphNodeGroup¶
-
ParticleSystem
= NodeType.DynamicalModelParticleSystem¶
-
Path
= NodeType.StructuralModelPath¶
-
PropertyModel
= NodeType.PropertyModel¶
-
PropertyModelFunction
= NodeType.PropertyModelFunction¶
-
Protein
= NodeType.StructuralModelNodeProtein¶
-
PseudoAtom
= NodeType.StructuralModelNodePseudoAtom¶
-
Residue
= NodeType.StructuralModelNodeResidue¶
-
RigidBody
= NodeType.DynamicalModelNodeRigidBody¶
-
RigidBodySystem
= NodeType.DynamicalModelRigidBodySystem¶
-
Root
= NodeType.StructuralModelNodeRoot¶
-
Segment
= NodeType.StructuralModelNodeSegment¶
-
SideChain
= NodeType.StructuralModelNodeSideChain¶
-
Simulator
= NodeType.Simulator¶
-
SimulatorArticulatedBodySystem
= NodeType.SimulatorArticulatedBodySystem¶
-
SimulatorParticleSystem
= NodeType.SimulatorParticleSystem¶
-
SimulatorRigidBodySystem
= NodeType.SimulatorRigidBodySystem¶
-
Single
= BondType.Single¶
-
StateUpdater
= NodeType.StateUpdater¶
-
StateUpdaterArticulatedBodySystem
= NodeType.StateUpdaterArticulatedBodySystem¶
-
StateUpdaterParticleSystem
= NodeType.StateUpdaterParticleSystem¶
-
StateUpdaterRigidBodySystem
= NodeType.StateUpdaterRigidBodySystem¶
-
StructuralGroup
= NodeType.StructuralModelNodeGroup¶
-
StructuralModel
= NodeType.StructuralModel¶
-
StructuralModelConformation
= NodeType.StructuralModelConformation¶
-
StructuralModelNode
= NodeType.StructuralModelNode¶
-
StructuralModelNodeAtom
= NodeType.StructuralModelNodeAtom¶
-
StructuralModelNodeBackbone
= NodeType.StructuralModelNodeBackbone¶
-
StructuralModelNodeBond
= NodeType.StructuralModelNodeBond¶
-
StructuralModelNodeChain
= NodeType.StructuralModelNodeChain¶
-
StructuralModelNodeGroup
= NodeType.StructuralModelNodeGroup¶
-
StructuralModelNodeMolecule
= NodeType.StructuralModelNodeMolecule¶
-
StructuralModelNodeParticle
= NodeType.StructuralModelNodeParticle¶
-
StructuralModelNodeProtein
= NodeType.StructuralModelNodeProtein¶
-
StructuralModelNodePseudoAtom
= NodeType.StructuralModelNodePseudoAtom¶
-
StructuralModelNodeResidue
= NodeType.StructuralModelNodeResidue¶
-
StructuralModelNodeRoot
= NodeType.StructuralModelNodeRoot¶
-
StructuralModelNodeSegment
= NodeType.StructuralModelNodeSegment¶
-
StructuralModelNodeSideChain
= NodeType.StructuralModelNodeSideChain¶
-
StructuralModelPath
= NodeType.StructuralModelPath¶
-
StructuralParticle
= NodeType.StructuralModelNodeParticle¶
-
Triple
= BondType.Triple¶
-
Undefined
= BondType.Undefined¶
-
VisualModel
= NodeType.VisualModel¶
-
VisualModelMesh
= NodeType.VisualModelMesh¶
-
bondType
¶ The bond type
-
bondTypeString
¶ Returns the string corresponding to the bondType
-
customType
¶ The bond’s custom type
-
hasCustomType
¶ Returns true when the bond’s custom type is set
-
hasStatusBit
¶ Returns true when the bond’s status bit is set
-
highlightingFlag
¶
-
isAmideBond
¶ Returns true if the bond is an amide bond, i.e. between a Nytrogen and a carbonyl Carbon – N-C=O
-
isCarbonylBond
¶ Returns true if the bond is a carbonyl bond (C=O)
-
isCreated
¶ Returns true if and only if the node is created
-
isErased
¶ Returns true if and only if the node is erased
-
isEsterBond
¶ Returns true if the bond is an ester bond, i.e. between an Oxygen and a carbonyl Carbon – O-C=O
-
isHighlighted
¶ Returns whether the node is highlighted
-
isPrimaryAmideBond
¶ Returns true if the bond is a primary amide bond, i.e. an amid bond where the Nytrogen atom has exactly one non-Hydronen bond
-
isSecondaryAmideBond
¶ Returns true if the bond is a secondary amide bond, i.e. an amid bond where the Nytrogen atom has exactly two non-Hydronen bonds
-
isSelected
¶ Returns whether the node is selected
-
isSerializable
¶ Returns true when the class is serializable
-
isTertiaryAmideBond
¶ Returns true if the bond is a tertiary amide bond, i.e. an amid bond where the Nytrogen atom has exactly three non-Hydronen bonds
-
isVisible
¶ Returns whether the node is visible
-
leftAtom
¶ Returns a pointer to the left atom
-
length
¶ The length of the bond
-
midPoint
¶ The mid point of the bond
-
mobilityFlag
¶ The node’s mobility flag
-
name
¶ The name of the node
-
nodeIndex
¶ Returns the node index (unique in the whole data graph, but non-persistent)
-
order
¶ The bond order
-
rightAtom
¶ Returns a pointer to the right atom
-
selectionFlag
¶
-
statusBit
¶ The bond’s status bit
-
type
¶ The type of the data graph node
-
typeString
¶ Returns a string describing the type of this data graph node
-
visibilityFlag
¶