StructuralModel¶

This library defines structural models.

SAMSON API: The SBMStructuralModel Library

class samson.Modeling.StructuralModel.Atom(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.NodeParticle

This class describes an atom in a structural model

SAMSON API: SBMStructuralModelNodeAtom

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Atom) -> None

Constructs an atom of a default type (default position = (0,0,0))

  1. __init__(self: samson.Modeling.StructuralModel.Atom, element: samson.Modeling.Element.Element.ElementType) -> None

Constructs an atom of a given type (default position = (0,0,0))

  1. __init__(self: samson.Modeling.StructuralModel.Atom, element: samson.Modeling.Element.Element.ElementType, x: samson.DataModel.Quantity.unitsSI, y: samson.DataModel.Quantity.unitsSI, z: samson.DataModel.Quantity.unitsSI) -> None

Constructs an atom of a given type at position = (x,y,z)

  1. __init__(self: samson.Modeling.StructuralModel.Atom, element: samson.Modeling.Element.Element.ElementType, p: samson.DataModel.Type.vector3) -> None

Constructs an atom of a given type at position p

  1. __init__(self: samson.Modeling.StructuralModel.Atom, element: samson.Modeling.Element.Element.ElementType, n: str, p: samson.DataModel.Type.vector3) -> None

Constructs an atom of a given type with name n at position p

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clearAltLocation(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s alternate location

clearAnisotropicTFactors(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s AnisotropicTFactors

clearAromaticity(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s Aromaticity

clearChain(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s chain

clearChainID(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s ChainID

clearComment(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s Comment

clearCustomType(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s CustomType

clearFormalCharge(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s FormalCharge

clearHybridization(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s Hybridization

clearInsertionCode(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s insertion code

clearMoleculeName(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s MoleculeName

clearName(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s full name

clearOccupancy(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s occupancy

clearOxydationState(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s OxydationState

clearPartialCharge(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s PartialCharge

clearRecordType(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s RecordType

clearResidueName(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s ResidueName

clearResidueSequenceNumber(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s ResidueSequenceNumber

clearResonance(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s Resonance

clearSYBYLType(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s SYBYLType

clearSegment(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s Segment

clearSerialNumber(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s serial number

clearStatusBit(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s StatusBit

clearSubstructureName(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s SubstructureName

clearSubstructureSequenceNumber(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s SubstructureSequenceNumber

clearTemperatureFactor(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s TemperatureFactor

clearWaterFlag(self: samson.Modeling.StructuralModel.Atom) → None¶

Clears the atom’s WaterFlag

clone(self: samson.Modeling.StructuralModel.Atom) → samson.Modeling.StructuralModel.Atom¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases the node

getBondList(self: samson.Modeling.StructuralModel.Atom) → SBCReferencePointerList<SBMStructuralModelNodeBond, SBCReferenceToTarget>¶

Returns the bond list

getBondTo(self: samson.Modeling.StructuralModel.Atom, atom: samson.Modeling.StructuralModel.Atom) → SBMStructuralModelNodeBond¶

Returns the bond to an atom (0 if no bond)

getChain(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s chain

getComment(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s comment

getConnectedComponent(self: samson.Modeling.StructuralModel.Atom) → samson.DataModel.DataGraph.NodeIndexer¶

Gets all atoms in the connected component containing the atom

getDocument(self: samson.DataModel.DataGraph.Node) → SBDDocument¶

Returns the document the node belongs to

getFlags(self: samson.DataModel.DataGraph.Node) → int¶

Returns the flags

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getMoleculeName(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s moleculeName

getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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) → SBDDataGraphNodeIndexer¶
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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPosition(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Type.vector3¶
getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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¶
getRecordType(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s recordType

getResidueName(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s residueName

getRoot(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the root of the hierarchy the node belongs to

getSYBYLType(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s SYBYLType

getSegment(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s segment

getStatusBit(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s statusBit

getSubstructureName(self: samson.Modeling.StructuralModel.Atom) → str¶

Returns the atom’s substructureName

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

getX(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
getY(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
getZ(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
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.

  1. 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

  1. 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

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

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

setChain(self: samson.Modeling.StructuralModel.Atom, chain: str, size: int) → None¶

Set the atom’s chain

setColor(self: samson.DataModel.DataGraph.Node, color: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setComment(self: samson.Modeling.StructuralModel.Atom, comment: str, size: int) → None¶

Set the atom’s comment

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMoleculeName(self: samson.Modeling.StructuralModel.Atom, moleculeName: str, size: int) → None¶

Set the atom’s moleculeName

setPosition(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Type.vector3) → None¶
setRecordType(self: samson.Modeling.StructuralModel.Atom, recordType: str, size: int) → None¶

Set the atom’s RecordType

setResidueName(self: samson.Modeling.StructuralModel.Atom, residueName: str, size: int) → None¶

Set the atom’s residueName

setSYBYLType(self: samson.Modeling.StructuralModel.Atom, SYBYLType: str, size: int) → None¶

Set the atom’s SYBYLType

setSegment(self: samson.Modeling.StructuralModel.Atom, segment: str, size: int) → None¶

Set the atom’s segment

setStatusBit(self: samson.Modeling.StructuralModel.Atom, statusBit: str, size: int) → None¶

Set the atom’s statusBit

setSubstructureName(self: samson.Modeling.StructuralModel.Atom, substructureName: str, size: int) → None¶

Set the atom’s substructureName

setX(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
setY(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
setZ(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
sprint(self: samson.Modeling.StructuralModel.NodeParticle, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Atom) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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¶
SYBYLTypeSize¶

atom’s SYBYLType size

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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

alternateLocation¶

atom’s alternate location

anisotropicTFactors¶

atom’s AnisotropicTFactors

aromaticity¶

atom’s Aromaticity

atomicWeight¶
block¶
chainID¶

atom’s ChainID

chainSize¶

atom’s chain size

commentSize¶

atom’s comment size

covalentRadius¶
customType¶

atom’s CustomType

electronegativity¶
elementName¶
elementSymbol¶
elementType¶
formalCharge¶

atom’s FormalCharge

group¶
hasAltLocation¶

Returns true when the atom’s alternate location is set

hasAnisotropicTFactors¶

Returns true when the atom’s AnisotropicTFactors is set

hasAromaticity¶

Returns true when the atom’s Aromaticity is set

hasChain¶

Returns true when the atom’s chain is set

hasChainID¶

Returns true when the atom’s ChainID is set

hasComment¶

Returns true when the atom’s Comment is set

hasCustomType¶

Returns true when the atom’s CustomType is set

hasFormalCharge¶

Returns true when the atom’s FormalCharge is set

hasHybridization¶

Returns true when the atom’s Hybridization is set

hasInsertionCode¶

Returns true when the atom’s insertion code is set

hasMoleculeName¶

Returns true when the atom’s MoleculeName is set

hasName¶

Returns true when the atom’s name is set

hasOccupancy¶

Returns true when the atom’s occupancy is set

hasOxydationState¶

Returns true when the atom’s OxydationState is set

hasPartialCharge¶

Returns true when the atom’s PartialCharge is set

hasRecordType¶

Returns true when the atom’s RecordType is set

hasResidueName¶

Returns true when the atom’s ResidueName is set

hasResidueSequenceNumber¶

Returns true when the atom’s ResidueSequenceNumber is set

hasResonance¶

Returns true when the atom’s Resonance is set

hasSYBYLType¶

Returns true when the atom’s SYBYLType is set

hasSegment¶

Returns true when the atom’s Segment is set

hasSerialNumber¶

Returns true when the atom’s serial number is set

hasStatusBit¶

Returns true when the atom’s statusBit is set

hasSubstructureName¶

Returns true when the atom’s SubstructureName is set

hasSubstructureSequenceNumber¶

Returns true when the atom’s SubstructureSequenceNumber is set

hasTemperatureFactor¶

Returns true when the atom’s TemperatureFactor is set

hasWaterFlag¶

Returns true when the atom’s WaterFlag is set

highlightingFlag¶
hybridization¶

atom’s Hybridization

insertionCode¶

atom’s insertion code

isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isFromAminoAcidBackbone¶

Returns true when the atom is from an amino-acid backbone

isFromNucleicAcidBackbone¶

Returns true when the atom is from a nucleic acid backbone

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
moleculeNameSize¶

atom’s moleculeName size

name¶

atom’s full name

nodeIndex¶

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

occupancy¶

atom’s occupancy

oxydationState¶

atom’s OxydationState

partialCharge¶

atom’s PartialCharge

period¶
recordTypeSize¶

atom’s RecordType size

residueNameSize¶

atom’s residue name size

residueSequenceNumber¶

atom’s ResidueSequenceNumber

resonance¶

atom’s Resonance

segmentSize¶

atom’s segment size

selectionFlag¶
serialNumber¶

atom’s serial number

statusBitSize¶

atom’s statusBit size

substructureNameSize¶

atom’s substructureName size

substructureSequenceNumber¶

atom’s SubstructureSequenceNumber

temperatureFactor¶

atom’s TemperatureFactor

type¶
typeString¶

Returns a string describing the type of this data graph node

vanDerWaalsRadius¶
visibilityFlag¶
waterFlag¶

atom’s WaterFlag

class samson.Modeling.StructuralModel.Backbone(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.Group

This class describes a residue backbone

SAMSON API: SBMStructuralModelNodeBackbone

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Backbone) -> None

Constructs a residue backbone

  1. __init__(self: samson.Modeling.StructuralModel.Backbone, s: str) -> None

Constructs a residue backbone

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.Modeling.StructuralModel.Backbone, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

canAddChild(self: samson.Modeling.StructuralModel.Group, 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.Modeling.StructuralModel.Backbone, nodeType: samson.DataModel.DataGraph.Node.NodeType) → 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clearComment(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s Comment

clearStatusBit(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s status bit

clone(self: samson.Modeling.StructuralModel.Backbone) → samson.Modeling.StructuralModel.Backbone¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases the node

getAlphaCarbon(self: samson.Modeling.StructuralModel.Backbone) → samson.Modeling.StructuralModel.Atom¶

Returns the alpha carbon of an amino-acid backbone

getCarbon(self: samson.Modeling.StructuralModel.Backbone) → samson.Modeling.StructuralModel.Atom¶

Returns the carbon of an amino-acid backbone

getDocument(self: samson.DataModel.DataGraph.Node) → SBDDocument¶

Returns the document the node belongs to

getFlags(self: samson.DataModel.DataGraph.Node) → int¶

Returns the flags

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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¶
getNitrogen(self: samson.Modeling.StructuralModel.Backbone) → samson.Modeling.StructuralModel.Atom¶

Returns the nitrogen of an amino-acid backbone

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: Node Specification Language
getOxygen(self: samson.Modeling.StructuralModel.Backbone) → samson.Modeling.StructuralModel.Atom¶

Returns the oxygen of an amino-acid backbone

getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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.

  1. 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

  1. 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

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

removeChild(self: samson.Modeling.StructuralModel.Backbone, node: samson.DataModel.DataGraph.Node) → bool¶

Removes a child from the backbone

removeMaterial(self: samson.DataModel.DataGraph.Node) → bool¶

Removes material from the node

setColor(self: samson.DataModel.DataGraph.Node, color: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Group, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Backbone) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

comment¶

group’s comment

hasComment¶

Returns true when the group’s Comment is set

hasStatusBit¶

Returns true when the group’s status bit is set

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
name¶

name of the model

nodeIndex¶

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

selectionFlag¶
statusBit¶

group’s status bit

type¶
typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Bond(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.Node

This class describes a bond in a structural model

SAMSON API: SBMStructuralModelNodeBond

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Bond) -> None

Constructs a bond

  1. __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

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.Modeling.StructuralModel.Bond.BondType, arg0: samson.Modeling.StructuralModel.Bond.BondType) -> bool
  2. __eq__(self: samson.Modeling.StructuralModel.Bond.BondType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.Modeling.StructuralModel.Bond.BondType, arg0: samson.Modeling.StructuralModel.Bond.BondType) -> bool
  2. __ne__(self: samson.Modeling.StructuralModel.Bond.BondType, arg0: int) -> bool
Amide = BondType.Amide¶
Aromatic = BondType.Aromatic¶
Double = BondType.Double¶
Dummy = BondType.Dummy¶
Single = BondType.Single¶
Triple = BondType.Triple¶
Undefined = BondType.Undefined¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material 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

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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: Node Specification Language
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.

  1. 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

  1. 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.

  1. 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

  1. 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

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

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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Bond, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Bond) → str¶

Converts to a string

Amide = BondType.Amide¶
Aromatic = BondType.Aromatic¶
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

bondType¶

Bond type

bondTypeString¶

Returns the string corresponding to the bondType

customType¶

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¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

leftAtom¶

Returns a pointer to the left atom

length¶

Compute the length of the bond

midPoint¶

Compute the mid point of the bond

mobilityFlag¶
nodeIndex¶

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

order¶

Bond order

rightAtom¶

Returns a pointer to the right atom

selectionFlag¶
statusBit¶

bond’s status bit

type¶

Returns the node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Chain(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.Group

This class describes a chain in a structural model

SAMSON API: SBMStructuralModelNodeChain

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Chain) -> None

Constructs a chain

  1. __init__(self: samson.Modeling.StructuralModel.Chain, arg0: str) -> None

Constructs a chain

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.Modeling.StructuralModel.Group, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

canAddChild(self: samson.Modeling.StructuralModel.Group, 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.Modeling.StructuralModel.Chain, nodeType: samson.DataModel.DataGraph.Node.NodeType) → 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clearComment(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s Comment

clearStatusBit(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s status bit

clone(self: samson.Modeling.StructuralModel.Chain) → samson.Modeling.StructuralModel.Chain¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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.

  1. 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

  1. 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

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

removeChild(self: samson.Modeling.StructuralModel.Group, 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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Group, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Chain) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

comment¶

group’s comment

hasComment¶

Returns true when the group’s Comment is set

hasStatusBit¶

Returns true when the group’s status bit is set

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
name¶

name of the model

nodeIndex¶

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

selectionFlag¶
statusBit¶

group’s status bit

type¶
typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Conformation(*args, **kwargs)¶

Bases: samson.DataModel.DataGraph.Node

This class describes a structural conformation.

SAMSON API: SBMStructuralModelConformation

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Conformation) -> None

Constructs a structural conformation

  1. __init__(self: samson.Modeling.StructuralModel.Conformation, s: str, nodeIndexer: samson.DataModel.DataGraph.NodeIndexer) -> None

Constructs a structural conformation

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

addStructuralParticle(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle, structuralParticlePosition: samson.DataModel.Type.vector3) → bool¶

Adds a structuralParticle with position structuralParticlePosition

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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clone(self: samson.Modeling.StructuralModel.Conformation) → samson.Modeling.StructuralModel.Conformation¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

createStructuralModels(self: samson.Modeling.StructuralModel.Conformation) → samson.DataModel.DataGraph.NodeIndexer¶

Create structural models corresponding to all steps

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases the node

getDocument(self: samson.DataModel.DataGraph.Node) → SBDDocument¶

Returns the document the node belongs to

getEnergy(self: samson.Modeling.StructuralModel.Conformation) → samson.DataModel.Quantity.unitsSI¶

Returns the energy data

getFlags(self: samson.DataModel.DataGraph.Node) → int¶

Returns the flags

getForce(*args, **kwargs)¶

Overloaded function.

  1. getForce(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Retrieves the force of structural particle structuralParticleIndex

  1. getForce(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle) -> samson.DataModel.Type.vector3

Retrieves the force of structural particle structuralParticle

getForceData(self: samson.Modeling.StructuralModel.Conformation) → List[samson.DataModel.Type.vector3]¶

Returns the force data

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getNextConformation(self: samson.Modeling.StructuralModel.Conformation) → samson.Modeling.StructuralModel.Conformation¶

Returns the next conformation in the document

getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

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: Node Specification Language
getNumberOfStructuralParticles(self: samson.Modeling.StructuralModel.Conformation) → int¶

Returns the number of structural particles for which a position is saved

getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPosition(*args, **kwargs)¶

Overloaded function.

  1. getPosition(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Retrieves the position of structural particle structuralParticleIndex

  1. getPosition(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle) -> samson.DataModel.Type.vector3

Retrieves the position of structural particle structuralParticle

getPositionData(self: samson.Modeling.StructuralModel.Conformation) → List[samson.DataModel.Type.vector3]¶

Returns the position data

getPreviousConformation(self: samson.Modeling.StructuralModel.Conformation) → samson.Modeling.StructuralModel.Conformation¶

Returns the previous conformation in the document

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

getRoot(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the root of the hierarchy the node belongs to

getStructuralParticleIndexer(self: samson.Modeling.StructuralModel.Conformation) → SBCReferencePointerIndexer<SBMStructuralModelNodeParticle, SBCReferenceToTarget>¶

Returns the indexer of structural particles for which a position is saved

getThisNode(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the pointer to this node

getTime(self: samson.Modeling.StructuralModel.Conformation) → samson.DataModel.Quantity.unitsSI¶

Returns the time data

getTypeString(type: SBDDataGraphNode::Type) → str¶

Returns a string describing the type of the data graph node

getVelocity(*args, **kwargs)¶

Overloaded function.

  1. getVelocity(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Retrieves the velocity of structural particle structuralParticleIndex

  1. getVelocity(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle) -> samson.DataModel.Type.vector3

Retrieves the velocity of structural particle structuralParticle

getVelocityData(self: samson.Modeling.StructuralModel.Conformation) → List[samson.DataModel.Type.vector3]¶

Returns the velocity data

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

insertStructuralParticle(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int, structuralParticle: SBMStructuralModelNodeParticle, structuralParticlePosition: samson.DataModel.Type.vector3) → bool¶

Inserts a structuralParticle with position structuralParticlePosition at index structuralParticleIndex

isDynamicalModel(self: samson.DataModel.DataGraph.Node) → bool¶

Returns true when the node is a dynamical model

isIn(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

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

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

removeStructuralParticle(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle) → bool¶

Removes a structural particle from the conformation

restore(self: samson.Modeling.StructuralModel.Conformation) → None¶

Restores the conformation

setColor(self: samson.DataModel.DataGraph.Node, color: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setEnergy(self: samson.Modeling.StructuralModel.Conformation, energy: samson.DataModel.Quantity.unitsSI) → None¶

Sets the energy data

setForce(*args, **kwargs)¶

Overloaded function.

  1. setForce(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the force of structural particle structuralParticleIndex

  1. setForce(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the force of structural particle structuralParticle

setForceData(self: samson.Modeling.StructuralModel.Conformation, forceData: List[samson.DataModel.Type.vector3]) → None¶

Sets the force data; forceData is a vector of forces

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setPosition(*args, **kwargs)¶

Overloaded function.

  1. setPosition(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the position of structural particle structuralParticleIndex

  1. setPosition(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the position of structural particle structuralParticle

setPositionData(self: samson.Modeling.StructuralModel.Conformation, positionData: List[samson.DataModel.Type.vector3]) → None¶

Sets the position data; positionData is a vector of positions

setTime(self: samson.Modeling.StructuralModel.Conformation, time: samson.DataModel.Quantity.unitsSI) → None¶

Sets the time data

setVelocity(*args, **kwargs)¶

Overloaded function.

  1. setVelocity(self: samson.Modeling.StructuralModel.Conformation, structuralParticleIndex: int, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the velocity of structural particle structuralParticleIndex

  1. setVelocity(self: samson.Modeling.StructuralModel.Conformation, structuralParticle: SBMStructuralModelNodeParticle, structuralParticlePosition: samson.DataModel.Type.vector3) -> None

Sets the velocity of structural particle structuralParticle

setVelocityData(self: samson.Modeling.StructuralModel.Conformation, velocityData: List[samson.DataModel.Type.vector3]) → None¶

Sets the velocity data; velocityData is a vector of velocities

sprint(self: samson.DataModel.DataGraph.Node, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Conformation) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

name¶

name of the conformation

nodeIndex¶

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

selectionFlag¶
type¶

The data graph node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Grid(self: samson.Modeling.StructuralModel.Grid, arg0: samson.DataModel.DataGraph.NodeIndexer, arg1: samson.DataModel.Quantity.unitsSI) → None¶

Bases: samson.Core.Reference.SBCReferenceTarget

This class describes a grid-based neighbor search algorithm that can be applied to structural particles (atoms or pseudo-atoms).

SAMSON API: SBMStructuralModelGrid

getMemoryFootprint(self: samson.Core.Reference.SBCReferenceTarget) → int¶

Returns the memory footprint

getNeighborIndexer(*args, **kwargs)¶

Overloaded function.

  1. getNeighborIndexer(self: samson.Modeling.StructuralModel.Grid, i: int) -> SBCContainerIndexer<SBMStructuralModelNodeParticle*, SBCContainerHashMap<SBMStructuralModelNodeParticle*, unsigned int, SBCContainerHashMapFunctor<SBMStructuralModelNodeParticle*>, SBCContainerHashMapKeyComparator<SBMStructuralModelNodeParticle*> >, SBCContainerVector<SBMStructuralModelNodeParticle*> >

Returns the neighbor indexer of structural particle i

  1. getNeighborIndexer(self: samson.Modeling.StructuralModel.Grid, structuralParticle: SBMStructuralModelNodeParticle) -> SBCContainerIndexer<SBMStructuralModelNodeParticle*, SBCContainerHashMap<SBMStructuralModelNodeParticle*, unsigned int, SBCContainerHashMapFunctor<SBMStructuralModelNodeParticle*>, SBCContainerHashMapKeyComparator<SBMStructuralModelNodeParticle*> >, SBCContainerVector<SBMStructuralModelNodeParticle*> >

Returns the neighbor indexer of structural particle structuralParticle

sprint(self: samson.Modeling.StructuralModel.Grid, offset: int=0) → None¶

Prints some debugging information

update(self: samson.Modeling.StructuralModel.Grid) → None¶

Updates the grid and neighbor lists

__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

class samson.Modeling.StructuralModel.Group(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.Node

This class describes a structural group

SAMSON API: SBMStructuralModelNodeGroup

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Group) -> None

Constructs a structural group

  1. __init__(self: samson.Modeling.StructuralModel.Group, arg0: str) -> None

Constructs a structural group

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.Modeling.StructuralModel.Group, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

canAddChild(self: samson.Modeling.StructuralModel.Group, 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.Modeling.StructuralModel.Group, nodeType: samson.DataModel.DataGraph.Node.NodeType) → 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clearComment(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s Comment

clearStatusBit(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s status bit

clone(self: samson.Modeling.StructuralModel.Group) → samson.Modeling.StructuralModel.Group¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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.

  1. 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

  1. 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

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

removeChild(self: samson.Modeling.StructuralModel.Group, 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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Group, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Group) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

comment¶

group’s comment

hasComment¶

Returns true when the group’s Comment is set

hasStatusBit¶

Returns true when the group’s status bit is set

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
name¶

name of the model

nodeIndex¶

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

selectionFlag¶
statusBit¶

group’s status bit

type¶

Returns the node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Molecule(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.Group

This class describes a molecule in a structural model

SAMSON API: SBMStructuralModelNodeMolecule

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Molecule) -> None

Constructs a molecule

  1. __init__(self: samson.Modeling.StructuralModel.Molecule, arg0: str) -> None

Constructs a molecule

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.Modeling.StructuralModel.Group, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

canAddChild(self: samson.Modeling.StructuralModel.Group, 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.Modeling.StructuralModel.Molecule, nodeType: samson.DataModel.DataGraph.Node.NodeType) → 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clearComment(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s Comment

clearStatusBit(self: samson.Modeling.StructuralModel.Group) → None¶

Clears the group’s status bit

clone(self: samson.Modeling.StructuralModel.Molecule) → samson.Modeling.StructuralModel.Molecule¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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.

  1. 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

  1. 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

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

removeChild(self: samson.Modeling.StructuralModel.Group, 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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Group, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Molecule) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

comment¶

group’s comment

hasComment¶

Returns true when the group’s Comment is set

hasStatusBit¶

Returns true when the group’s status bit is set

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
name¶

name of the model

nodeIndex¶

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

selectionFlag¶
statusBit¶

group’s status bit

type¶
typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Node¶

Bases: samson.Modeling.Model.SBMModelNode

This class describes a structural model node

SAMSON API: SBMStructuralModelNode

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clone(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.Node¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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) → SBDDataGraphNodeIndexer¶
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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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.

  1. 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

  1. 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

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

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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

sprint(self: samson.Modeling.StructuralModel.Node, offset: int=0) → None¶

Prints some debugging information

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
nodeIndex¶

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

selectionFlag¶
type¶

the data graph node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.NodeParticle¶

Bases: samson.Modeling.StructuralModel.Node

This class describes a particle (atom or pseudo-atom) in a structural model

SAMSON API: SBMStructuralModelNodeParticle

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material 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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clone(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.Node¶

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases 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

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getModel(self: samson.Modeling.StructuralModel.Node) → samson.Modeling.StructuralModel.StructuralModel¶
getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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) → SBDDataGraphNodeIndexer¶
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: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPosition(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Type.vector3¶
getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

getX(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
getY(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
getZ(self: samson.Modeling.StructuralModel.NodeParticle) → samson.DataModel.Quantity.unitsSI¶
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.

  1. 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

  1. 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

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

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: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setPosition(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Type.vector3) → None¶
setX(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
setY(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
setZ(self: samson.Modeling.StructuralModel.NodeParticle, arg0: samson.DataModel.Quantity.unitsSI) → None¶
sprint(self: samson.Modeling.StructuralModel.NodeParticle, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.NodeParticle) → str¶

Converts to a string

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

mobilityFlag¶
nodeIndex¶

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

selectionFlag¶
type¶

Returns the node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.Path(*args, **kwargs)¶

Bases: samson.DataModel.DataGraph.Node

This class describes a structural path

SAMSON API: SBMStructuralModelPath

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.Path) -> None

Constructs a structural model path

  1. __init__(self: samson.Modeling.StructuralModel.Path, name: str, nodeIndexer: samson.DataModel.DataGraph.NodeIndexer) -> None

Constructs a structural model path with name from the nodes in nodeIndexer

class AnimationType(self: samson.Modeling.StructuralModel.Path.AnimationType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.Modeling.StructuralModel.Path.AnimationType, arg0: samson.Modeling.StructuralModel.Path.AnimationType) -> bool
  2. __eq__(self: samson.Modeling.StructuralModel.Path.AnimationType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.Modeling.StructuralModel.Path.AnimationType, arg0: samson.Modeling.StructuralModel.Path.AnimationType) -> bool
  2. __ne__(self: samson.Modeling.StructuralModel.Path.AnimationType, arg0: int) -> bool
Bounce = AnimationType.Bounce¶
Loop = AnimationType.Loop¶
Once = AnimationType.Once¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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.Atom¶
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¶
__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

add(*args, **kwargs)¶

Overloaded function.

  1. add(self: samson.Modeling.StructuralModel.Path, conformation: samson.Modeling.StructuralModel.Conformation) -> bool

Adds a frame to the path

  1. add(self: samson.Modeling.StructuralModel.Path, path: samson.Modeling.StructuralModel.Path) -> bool

Adds frames to the path

  1. add(self: samson.Modeling.StructuralModel.Path, positionData: List[samson.DataModel.Type.vector3], energy: samson.DataModel.Quantity.unitsSI=0.000000 (dimensionless), time: samson.DataModel.Quantity.unitsSI=0.000000 (dimensionless), velocityData: List[samson.DataModel.Type.vector3]=[], forceData: List[samson.DataModel.Type.vector3]=[]) -> bool

Adds a frame to the path

  1. add(self: samson.Modeling.StructuralModel.Path, positionData: List[List[samson.DataModel.Type.vector3]], energyData: List[samson.DataModel.Quantity.unitsSI]=[], timeData: List[samson.DataModel.Quantity.unitsSI]=[], velocityData: List[List[samson.DataModel.Type.vector3]]=[], forceData: List[List[samson.DataModel.Type.vector3]]=[]) -> bool

Adds frames to the path

addChild(self: samson.DataModel.DataGraph.Node, node: samson.DataModel.DataGraph.Node, nextNode: samson.DataModel.DataGraph.Node=None) → bool¶

Adds a child to the node

addMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial) → bool¶

Adds material to the node

addStructuralParticle(self: samson.Modeling.StructuralModel.Path, structuralParticle: samson.Modeling.StructuralModel.NodeParticle, structuralParticlePositionVector: List[samson.DataModel.Type.vector3]=[], structuralParticleVelocityVector: List[samson.DataModel.Type.vector3]=[], structuralParticleForceVector: List[samson.DataModel.Type.vector3]=[]) → bool¶

Adds a structuralParticle to the path

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

castToVisualModel(self: samson.DataModel.DataGraph.Node) → SBMVisualModel¶

Casts (if possible) from SBDDataGraphNode to SBMVisualModel

clone(self: samson.Modeling.StructuralModel.Path) → samson.Modeling.StructuralModel.Path¶

Returns a copy of the node and its descendants

copy(self: samson.Modeling.StructuralModel.Path, firstStep: int, lastStep: int) → samson.Modeling.StructuralModel.Path¶

Copies frames from the path to create a new path

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: Node Specification Language
create(self: samson.DataModel.DataGraph.Node) → None¶

Creates the node

createConformation(self: samson.Modeling.StructuralModel.Path, step: int) → samson.DataModel.DataGraph.NodeIndexer¶

Create a conformation corresponding to a specific step

createConformations(self: samson.Modeling.StructuralModel.Path) → samson.DataModel.DataGraph.NodeIndexer¶

Create conformations corresponding to all steps

createStructuralModels(*args, **kwargs)¶

Overloaded function.

  1. createStructuralModels(self: samson.Modeling.StructuralModel.Path, step: int) -> samson.DataModel.DataGraph.NodeIndexer

Create structural models corresponding to a specific step

  1. createStructuralModels(self: samson.Modeling.StructuralModel.Path) -> samson.DataModel.DataGraph.NodeIndexer

Create structural models corresponding to all steps

erase(self: samson.DataModel.DataGraph.Node) → None¶

Erases the node

getDocument(self: samson.DataModel.DataGraph.Node) → SBDDocument¶

Returns the document the node belongs to

getEnergy(self: samson.Modeling.StructuralModel.Path, step: int) → samson.DataModel.Quantity.unitsSI¶

Returnes the energy for a specific step

getEnergyData(self: samson.Modeling.StructuralModel.Path) → List[samson.DataModel.Quantity.unitsSI]¶

Returnes the energy data

getFlags(self: samson.DataModel.DataGraph.Node) → int¶

Returns the flags

getForce(*args, **kwargs)¶

Overloaded function.

  1. getForce(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Returnes the force of structural particle structuralParticleIndex for a specific step

  1. getForce(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle) -> samson.DataModel.Type.vector3

Returnes the force of structural particle structuralParticle for a specific step

getForceData(self: samson.Modeling.StructuralModel.Path) → List[List[samson.DataModel.Type.vector3]]¶

Returns the force array: 2D array, (number of timesteps) x (number of structural nodes)

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.SBCReferenceTarget) → int¶

Returns the memory footprint

getNextNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

getNextPath(self: samson.Modeling.StructuralModel.Path) → samson.Modeling.StructuralModel.Path¶

Returns the next path in the document

getNode(self: int) → samson.DataModel.DataGraph.Node¶

Returns the unique node corresponding to the node index nodeIndex

getNodes(self: samson.Modeling.StructuralModel.Path, 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 the Node Specification Language (SAMSON API: Node Specification Language
getParent(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the parent of the node

getPosition(*args, **kwargs)¶

Overloaded function.

  1. getPosition(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Returnes the position of structural particle structuralParticleIndex for a specific step

  1. getPosition(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle) -> samson.DataModel.Type.vector3

Returnes the position of structural particle structuralParticle for a specific step

getPositionData(self: samson.Modeling.StructuralModel.Path) → List[List[samson.DataModel.Type.vector3]]¶

Returns the position array: 2D array, (number of timesteps) x (number of structural nodes)

getPreviousNode(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

getPreviousPath(self: samson.Modeling.StructuralModel.Path) → samson.Modeling.StructuralModel.Path¶

Returns the previous path in the document

getRoot(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the root of the hierarchy the node belongs to

getStructuralParticleIndexer(self: samson.Modeling.StructuralModel.Path) → samson.DataModel.DataGraph.NodeIndexer¶

Returns the indexer of structural particles for which a position is saved

getThisNode(self: samson.DataModel.DataGraph.Node) → samson.DataModel.DataGraph.Node¶

Returns the pointer to this node

getTime(self: samson.Modeling.StructuralModel.Path, step: int) → samson.DataModel.Quantity.unitsSI¶

Returnes the time for a specific step

getTimeData(self: samson.Modeling.StructuralModel.Path) → List[samson.DataModel.Quantity.unitsSI]¶

Returnes the time data

getTypeString(type: SBDDataGraphNode::Type) → str¶

Returns a string describing the type of the data graph node

getVelocity(*args, **kwargs)¶

Overloaded function.

  1. getVelocity(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int) -> samson.DataModel.Type.vector3

Returnes the velocity of structural particle structuralParticleIndex for a specific step

  1. getVelocity(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle) -> samson.DataModel.Type.vector3

Returnes the velocity of structural particle structuralParticle for a specific step

getVelocityData(self: samson.Modeling.StructuralModel.Path) → List[List[samson.DataModel.Type.vector3]]¶

Returns the velocity array: 2D array, (number of timesteps) x (number of structural nodes)

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

insert(*args, **kwargs)¶

Overloaded function.

  1. insert(self: samson.Modeling.StructuralModel.Path, step: int, conformation: samson.Modeling.StructuralModel.Conformation) -> bool

Inserts a frame to the path at the step

  1. insert(self: samson.Modeling.StructuralModel.Path, step: int, path: samson.Modeling.StructuralModel.Path) -> bool

Inserts frames to the path starting from the step

  1. insert(self: samson.Modeling.StructuralModel.Path, step: int, positionData: List[samson.DataModel.Type.vector3], energy: samson.DataModel.Quantity.unitsSI=0.000000 (dimensionless), time: samson.DataModel.Quantity.unitsSI=0.000000 (dimensionless), velocityData: List[samson.DataModel.Type.vector3]=[], forceData: List[samson.DataModel.Type.vector3]=[]) -> bool

Inserts a frame in the path at position step

  1. insert(self: samson.Modeling.StructuralModel.Path, step: int, positionData: List[List[samson.DataModel.Type.vector3]], energyData: List[samson.DataModel.Quantity.unitsSI]=[], timeData: List[samson.DataModel.Quantity.unitsSI]=[], velocityData: List[List[samson.DataModel.Type.vector3]]=[], forceData: List[List[samson.DataModel.Type.vector3]]=[]) -> bool

Inserts frames in the path at position step

insertStructuralParticle(self: samson.Modeling.StructuralModel.Path, structuralParticleIndex: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle, structuralParticlePositionVector: List[samson.DataModel.Type.vector3]=[], structuralParticleVelocityVector: List[samson.DataModel.Type.vector3]=[], structuralParticleForceVector: List[samson.DataModel.Type.vector3]=[]) → bool¶

Inserts a structuralParticle at index structuralParticleIndex to the path

isDynamicalModel(self: samson.DataModel.DataGraph.Node) → bool¶

Returns true when the node is a dynamical model

isIn(*args, **kwargs)¶

Overloaded function.

  1. 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

  1. 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

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

remove(*args, **kwargs)¶

Overloaded function.

  1. remove(self: samson.Modeling.StructuralModel.Path, step: int) -> samson.Modeling.StructuralModel.Conformation

Remove a frame from the path to create a conformation

  1. remove(self: samson.Modeling.StructuralModel.Path, firstStep: int, lastStep: int) -> samson.Modeling.StructuralModel.Path

Removes frames from the path to create a new path

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

removeStructuralParticle(self: samson.Modeling.StructuralModel.Path, structuralParticle: samson.Modeling.StructuralModel.NodeParticle) → bool¶

Removes a structural particle from the path

setColor(self: samson.DataModel.DataGraph.Node, color: SBDColor, applyToChildren: bool=False) → None¶

Sets the color for the node (removes an existing material from the node and adds a given material based on a given color)

Args:

color (Color): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setEnergy(self: samson.Modeling.StructuralModel.Path, step: int, energy: samson.DataModel.Quantity.unitsSI) → None¶

Sets the energy for a specific step

setEnergyData(self: samson.Modeling.StructuralModel.Path, energyData: List[samson.DataModel.Quantity.unitsSI]) → None¶

Sets the energy data

setForce(*args, **kwargs)¶

Overloaded function.

  1. setForce(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int, force: samson.DataModel.Type.vector3) -> None

Sets the force of structural particle structuralParticleIndex to position for a specific step

  1. setForce(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle, force: samson.DataModel.Type.vector3) -> None

Sets the force of structural particle structuralParticle to position for a specific step

setForceData(self: samson.Modeling.StructuralModel.Path, forceData: List[List[samson.DataModel.Type.vector3]]) → None¶

Sets the force array: 2D array, (number of timesteps) x (number of structural nodes)

setMaterial(self: samson.DataModel.DataGraph.Node, material: SBDDataGraphNodeMaterial, applyToChildren: bool=False) → None¶

Sets the material for the node (removes an existing material from the node and adds a given material)

Args:

material (Material): material to set

applyToChildren (boolean): if set to True goes through child nodes (default value: False)

setPosition(*args, **kwargs)¶

Overloaded function.

  1. setPosition(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int, position: samson.DataModel.Type.vector3) -> None

Sets the position of structural particle structuralParticleIndex to position for a specific step

  1. setPosition(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle, position: samson.DataModel.Type.vector3) -> None

Sets the position of structural particle structuralParticle to position for a specific step

setPositionData(self: samson.Modeling.StructuralModel.Path, positionData: List[List[samson.DataModel.Type.vector3]]) → None¶

Sets the position array: 2D array, (number of timesteps) x (number of structural nodes)

setTime(self: samson.Modeling.StructuralModel.Path, step: int, time: samson.DataModel.Quantity.unitsSI) → None¶

Sets the time for a specific step

setTimeData(self: samson.Modeling.StructuralModel.Path, timeData: List[samson.DataModel.Quantity.unitsSI]) → None¶

Sets the time data

setVelocity(*args, **kwargs)¶

Overloaded function.

  1. setVelocity(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticleIndex: int, velocity: samson.DataModel.Type.vector3) -> None

Sets the velocity of structural particle structuralParticleIndex to position for a specific step

  1. setVelocity(self: samson.Modeling.StructuralModel.Path, step: int, structuralParticle: samson.Modeling.StructuralModel.NodeParticle, velocity: samson.DataModel.Type.vector3) -> None

Sets the velocity of structural particle structuralParticle to position for a specific step

setVelocityData(self: samson.Modeling.StructuralModel.Path, velocityData: List[List[samson.DataModel.Type.vector3]]) → None¶

Sets the velocity array: 2D array, (number of timesteps) x (number of structural nodes)

sprint(self: samson.DataModel.DataGraph.Node, offset: int=0) → None¶

Prints some debugging information

toString(self: samson.Modeling.StructuralModel.Path) → str¶

Converts to a string

updateState(self: samson.Modeling.StructuralModel.Path) → None¶

Updates the state along the path according to the animation parameters

ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
Backbone = NodeType.StructuralModelNodeBackbone¶
Bond = NodeType.StructuralModelNodeBond¶
Bounce = AnimationType.Bounce¶
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¶
Loop = AnimationType.Loop¶
Molecule = NodeType.StructuralModelNodeMolecule¶
NodeGroup = NodeType.DataGraphNodeGroup¶
Once = AnimationType.Once¶
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.Atom¶
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¶
__eq__¶

Return self==value.

__ge__¶

Return self>=value.

__gt__¶

Return self>value.

__le__¶

Return self<=value.

__lt__¶

Return self<value.

__ne__¶

Return self!=value.

animationFlag¶

The animation flag

animationType¶

The animation type

currentEnergy¶

The current energy

currentStep¶

The current step along the path

currentTime¶

The current time

forwardFlag¶

The forward flag, which indicates when the animation is moving forward

highlightingFlag¶
isCreated¶

Returns true if and only if the node is created

isErased¶

Returns true if and only if the node is erased

isHighlighted¶

Returns whether the node is highlighted

isSelected¶

Returns whether the node is selected

isSerializable¶

Returns true when the class is serializable

isVisible¶

Returns whether the node is visible

name¶

the name of the path

nodeIndex¶

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

numberOfSteps¶

The number of steps in the path

numberOfStructuralParticles¶

The number of structural particles for which a position is saved

selectionFlag¶
smoothingWindowSize¶

The size of the smoothing window

stepDuration¶

The step duration

stride¶

The animation stride

type¶

the data graph node type

typeString¶

Returns a string describing the type of this data graph node

visibilityFlag¶
class samson.Modeling.StructuralModel.PseudoAtom(*args, **kwargs)¶

Bases: samson.Modeling.StructuralModel.NodeParticle

This class describes a pseudo-atom in a structural model

SAMSON API: SBMStructuralModelNodePseudoAtom

Overloaded function.

  1. __init__(self: samson.Modeling.StructuralModel.PseudoAtom) -> None

Builds a pseudo-atom (default position = (0,0,0))

  1. __init__(self: samson.Modeling.StructuralModel.PseudoAtom, x: samson.DataModel.Quantity.unitsSI, y: samson.DataModel.Quantity.unitsSI, z: samson.DataModel.Quantity.unitsSI) -> None

Builds a pseudo-atom at position = (x,y,z)

  1. __init__(self: samson.Modeling.StructuralModel.PseudoAtom, p: samson.DataModel.Type.vector3) -> None

Builds a pseudo-atom at position p

class NodeType(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) → None¶

Bases: pybind11_builtins.pybind11_object

__eq__(*args, **kwargs)¶

Overloaded function.

  1. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __eq__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
__ne__(*args, **kwargs)¶

Overloaded function.

  1. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: samson.DataModel.DataGraph.Node.NodeType) -> bool
  2. __ne__(self: samson.DataModel.DataGraph.Node.NodeType, arg0: int) -> bool
ArticulatedBody = NodeType.DynamicalModelNodeArticulatedBody¶
ArticulatedBodySystem = NodeType.DynamicalModelArticulatedBodySystem¶
Atom = NodeType.Atom¶
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¶
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¶