19package denoptim.graph.simplified;
21import denoptim.graph.AttachmentPoint;
22import denoptim.graph.Edge.BondType;
23import denoptim.graph.Vertex;
24import denoptim.utils.GeneralUtils;
102 String tmp = invariantTA + invariantTB;
103 if (invariantTA.compareTo(invariantTB) > 0)
104 tmp = invariantTB + invariantTA;
106 this.invariant = tmp;
113 if (this.invariant ==
null)
122 int resultIgnoringBondType = this.invariant.compareTo(other.
invariant);
124 if (resultIgnoringBondType == 0)
126 return this.bondType.compareTo(other.
bondType);
128 return resultIgnoringBondType;
140 StringBuilder sb =
new StringBuilder(64);
147 return sb.toString();
An attachment point (AP) is a possibility to attach a Vertex onto the vertex holding the AP (i....
APClass getAPClass()
Returns the Attachment Point class.
A vertex is a data structure that has an identity and holds a list of AttachmentPoints.
int getBuildingBlockId()
Returns the index of the building block that should correspond to the position of the building block ...
Vertex.BBType getBuildingBlockType()
This class represents an undirected version of the edge between two vertices.
UndirectedEdge(AttachmentPoint apA, AttachmentPoint apB)
Constructor for an undirected edge.
String invariant
Invariant representation used to compare.
BondType bondType
The bond type associated with the connection between the fragments.
AttachmentPoint apB
Attachment point B.
UndirectedEdge(AttachmentPoint apA, AttachmentPoint apB, BondType bondType)
Constructor for an undirected edge.
AttachmentPoint apA
Attachment point A.
int compare(UndirectedEdge other)
static String getPaddedString(int count, int number)
returns the padded string with zeroes placed to the left of 'number' up to reach the desired number o...
Possible chemical bond types an edge can represent.