#include <AromaticityPerception.hh>
Public Types | |
| enum | AromState { Unknown, Aromatic, NonAromatic } |
Public Member Functions | |
| RingDescriptor () | |
| empty construction More... | |
| RingDescriptor (const RingList &ring) | |
Data Fields | |
| EdgeSet | edges |
| edges participating in the ring More... | |
| double | predCertainty |
| AromState | predState |
| the predicted aromaticity state of this ring More... | |
| RingList | ring |
Describes a ring based on a sorted set of edges and the list of nodes to encode the ring direction.
Definition at line 42 of file AromaticityPerception.hh.
| Enumerator | |
|---|---|
| Unknown | |
| Aromatic | |
| NonAromatic | |
Definition at line 45 of file AromaticityPerception.hh.
| ggl::chem::AromaticityPerception::RingDescriptor::RingDescriptor | ( | ) |
| ggl::chem::AromaticityPerception::RingDescriptor::RingDescriptor | ( | const RingList & | ring | ) |
construction based on a ring list encoding the ring to be described
| EdgeSet ggl::chem::AromaticityPerception::RingDescriptor::edges |
Definition at line 48 of file AromaticityPerception.hh.
| double ggl::chem::AromaticityPerception::RingDescriptor::predCertainty |
a value >= 0 describing the certainty of the given predState. the larger the value the more certain the prediction is.
Definition at line 58 of file AromaticityPerception.hh.
| AromState ggl::chem::AromaticityPerception::RingDescriptor::predState |
Definition at line 54 of file AromaticityPerception.hh.
| RingList ggl::chem::AromaticityPerception::RingDescriptor::ring |
nodes participating in the ring in ring order (note: the reverse order is not stored but valid as well)
Definition at line 51 of file AromaticityPerception.hh.